Bis[trans-dichloridobis(propane-1,3-diamine-κ2
                  N,N′)chromium(III)] tetrachloridozincate determined using synchrotron radiation

In the title compound, [CrCl2(C3H10N2)2]2[ZnCl4], the CrIII atom is coordinated by four N atoms of propane-1,3-diamine (tn) and two Cl atoms in a trans arrangement, displaying a distorted octahedral geometry with crystallographic inversion symmetry; the Zn atom in the [ZnCl4]2− anion lies on a -4 axis. The orientations of the two six-membered chelate rings in the complex cation are in an anti chair–chair conformation with respect to each other. The Cr—N bond lengths are 2.087 (6) and 2.097 (6) Å. The Cr—Cl and Zn—Cl bond lengths are 2.3151 (16) and 2.3255 (13) Å, respectively. Weak intermolecular hydrogen bonds involving the tn NH2 groups as donors and chloride ligands of the anion and cation as acceptors are observed.

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Crystal structure of trans-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ4 N)chromium(III) bis(formamide-κO)(1,4,8,11-tetraazacyclotetradecane-κ4 N)chromium(III) bis[tetrachloridozincate(II)]

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989020004910 ◽

2020 ◽

Vol 76 (5) ◽

pp. 656-659

Author(s):

Dohyun Moon ◽

Jong-Ha Choi

Keyword(s):

Crystal Structure ◽

Complex Cation ◽

Octahedral Geometry ◽

Distorted Octahedral Geometry ◽

Inversion Symmetry ◽

Asymmetric Unit ◽

Intermolecular Hydrogen Bonds ◽

X Ray ◽

Distorted Octahedral ◽

Cl Atoms

The structure of the title compound, [CrCl2(C10H24N4)][Cr(HCONH2)2(C10H24N4)][ZnCl4]2 (C10H24N4 = 1,4,8,11-tetraazacyclotetradecane, cyclam; HCONH2 = formamide, fa), has been determined from synchrotron X-ray data. The asymmetric unit contains two independent halves of the [CrCl2(cyclam)]+ and [Cr(fa)(cyclam)]3+ cations, and one tetrachloridozincate anion. In each complex cation, the CrIII ion is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and two Cl ligands or two O-bonded formamide molecules in a trans axial arrangement, displaying a distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(cyclam) bond lengths are in the range 2.061 (2) to 2.074 (2) Å, while the Cr—Cl and Cr—O(fa) bond distances are 2.3194 (7) and 1.9953 (19) Å, respectively. The macrocyclic cyclam moieties adopt the centrosymmetric trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The crystal structure is stabilized by intermolecular hydrogen bonds involving the NH or CH groups of cyclam and the NH2 group of coordinated formamide as donors, and Cl atoms of the ZnCl4 2− anion as acceptors.

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Crystal structure oftrans-bis(ethane-1,2-diamine-κ2N,N′)bis(thiocyanato-κN)chromium(III) perchlorate from synchrotron data

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989015009184 ◽

2015 ◽

Vol 71 (6) ◽

pp. 650-653 ◽

Cited By ~ 1

Author(s):

Dohyun Moon ◽

Jong-Ha Choi

Keyword(s):

Crystal Structure ◽

Rotation Axis ◽

Complex Cation ◽

Octahedral Geometry ◽

Distorted Octahedral Geometry ◽

Inversion Symmetry ◽

Asymmetric Unit ◽

Intermolecular Hydrogen Bonds ◽

Distorted Octahedral ◽

Cl Atom

The structure of the title compound, [Cr(NCS)2(C2H8N2)2]ClO4, has been determined from synchroton data. The asymmetric unit consists of one half of a centrosymmetric CrIIIcomplex cation and half of a perchlorate anion with the Cl atom on a twofold rotation axis. The CrIIIion is coordinated by the four N atoms of two ethane-1,2-diamine (en) ligands in the equatorial plane and two N-bound thiocyanate (NCS−) anions in atrans-axial arrangement, displaying a slightly distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(en) bond lengths are in the range 2.053 (16)–2.09 (2) Å, while the Cr—N(thiocyanate) bond length is 1.983 (2) Å. The five-membered en rings are disordered over two sites, with occupancy ratios of 0.522 (16):0.478 (16). Each ClO4−anion is disordered over two sites with equal occupancy. The crystal structure is stabilized by intermolecular hydrogen bonds involving the en NH2groups as donors and perchlorate O and thiocyanate S atoms as acceptors.

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Crystal structure of bis[trans-dichloridobis(propane-1,3-diamine-κ2N,N′)chromium(III)] dichromate from synchrotron data

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989016012755 ◽

2016 ◽

Vol 72 (9) ◽

pp. 1293-1296 ◽

Cited By ~ 1

Author(s):

Dohyun Moon ◽

Keon Sang Ryoo ◽

Jong-Ha Choi

Keyword(s):

Crystal Structure ◽

Hydrogen Bonds ◽

Complex Cation ◽

Chair Conformation ◽

Asymmetric Unit ◽

Intermolecular Hydrogen Bonds ◽

Distorted Octahedral Coordination ◽

Distorted Octahedral ◽

The Mean ◽

Cl Atoms

The structure of the title compound, [CrCl2(tn)2]2[Cr2O7] (tn = propane-1,3-diamine; C3H10N2), has been determined from synchrotron data. The asymmetric unit contains one CrIIIcomplex cation and half a [Cr2O7]2−anion. In the complex cation, the CrIIIion is coordinated by the four N atoms of two propane-1,3-diamine (tn) ligands in the equatorial plane and by two Cl atoms in atransconfiguration, displaying a distorted octahedral coordination sphere. The two six-membered rings in the complex cation have anantichair–chair conformation with respect to each other. The mean Cr—N(tn) and Cr—Cl bond lengths are 2.09 (1) and 2.320 (2) Å, respectively. The slightly bent dichromate anion is disordered over two sets of sites (occupancy ratio = 0.7:0.3) and has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the NH2groups of the tn ligands as donors and the O atoms of the [Cr2O7]2−anion and chlorido ligands as acceptors.

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Crystal structure of bis[trans-(ethane-1,2-diamine-κ2N,N′)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989014027479 ◽

2015 ◽

Vol 71 (1) ◽

pp. 100-103 ◽

Cited By ~ 4

Author(s):

Dohyun Moon ◽

Jong-Ha Choi

Keyword(s):

Crystal Structure ◽

Hydrogen Bonds ◽

Octahedral Geometry ◽

Distorted Octahedral Geometry ◽

Inversion Symmetry ◽

Asymmetric Unit ◽

Intermolecular Hydrogen Bonds ◽

Tetrahedral Geometry ◽

Distorted Tetrahedral Geometry ◽

Distorted Octahedral

The structure of the title compound, [Cr(NCS)2(C2H8N2)2]2[ZnCl4], has been determined from synchrotron data. In the asymmetric unit, there are four independent halves of the CrIIIcomplex cations, each of which lies on an inversion centre, and one tetrachloridozincate anion in a general position. The CrIIIatoms are coordinated by the four N atoms of two ethane-1,2-diamine (en) ligands in the equatorial plane and two N-bound NCS−anions in atransarrangement, displaying a slightly distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(en) and Cr—N(NCS) bond lengths range from 2.0653 (10) to 2.0837 (10) Å and from 1.9811 (10) to 1.9890 (10) Å, respectively. The five-membered metalla-rings are in stablegaucheconformations. The [ZnCl4]2−anion has a distorted tetrahedral geometry. The crystal structure is stabilized by intermolecular hydrogen bonds involving the en NH2or CH2groups as donors and chloride ligands of the anion and S atoms of NCS−ligands as acceptors.

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Crystal structure of ammonium bis(pyridine-2,6-dicarboxylato-κ3O,N,O′)chromate(III) from synchrotron data

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989015001152 ◽

2015 ◽

Vol 71 (2) ◽

pp. 210-212 ◽

Cited By ~ 5

Author(s):

Dohyun Moon ◽

Jong-Ha Choi

Keyword(s):

Crystal Structure ◽

Hydrogen Bonds ◽

Title Compound ◽

Octahedral Geometry ◽

Ammonium Cation ◽

Distorted Octahedral Geometry ◽

Intermolecular Hydrogen Bonds ◽

Bond Lengths ◽

Distorted Octahedral

The structure of the title compound, (NH4)[Cr(pydc)2] (pydc is pyridine-2,6-dicarboxylate, C7H3NO4), has been determined from synchrotron data. The CrIIIion and the N atom of the ammonium cation are located on a crystallographic fourfold rotoinversion axis (-4). The CrIIIcation is coordinated by four O atoms and the two N atoms of two meridional pydc ligands, displaying a distorted octahedral geometry. The Cr—N and Cr—O bond lengths are 1.9727 (15) and 1.9889 (9) Å, respectively. The crystal structure is stabilized by intermolecular hydrogen bonds involving the N–H groups of the ammonium cation and pyridine C–H groups as donors and the non-coordinating carbonyl O atoms as acceptors.

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Structure cristalline et moléculaire du cis-dithiocyanatobis(phénanthroline-1,10)mercure(II), Hg(SCN)2(C12H8N2)2

Canadian Journal of Chemistry ◽

10.1139/v74-426 ◽

1974 ◽

Vol 52 (16) ◽

pp. 2923-2927 ◽

Cited By ~ 7

Author(s):

André L. Beauchamp ◽

Bernard Saperas ◽

Roland Rivest

Keyword(s):

Heavy Atom ◽

Octahedral Geometry ◽

Van Der Waals Interactions ◽

Distorted Octahedral Geometry ◽

Triclinic Space Group ◽

Bond Lengths ◽

R Factor ◽

Distorted Octahedral ◽

Phenanthroline Ligands ◽

Heavy Atom Method

The compound cis-Hg(SCN)2(Phen)2 belongs to the triclinic space group [Formula: see text] with a = 13.252(5), b = 11.077(4), c = 8.443(3) Å, α = 105.20(3), β = 83.25 (3), γ = 90.92(3)°, and Z = 2. The structure was solved by the heavy atom method and refined on 1718 independent reflections to an R factor of 0.069. The crystal contains discrete molecules, in which mercury is coordinated to four nitrogen atoms from two phenanthroline molecules and to two sulfur atoms from thiocyanate groups. These donor atoms define a distorted octahedral geometry around mercury. The Hg—N bond lengths are in the range 2.42(2)–2.52(2) Å, whereas the Hg—S bonds are equal to 2.622(8) and 2.582(8) Å. The molecules are packed in layers parallel to the (110) planes and the layers are held together by normal van der Waals interactions. Within the layers, the packing of the complex is characterized by parallel stacking of phenanthroline ligands at distances of ∼3.4 Å. The terminal nitrogen atoms of the thiocyanate groups are uncoordinated.

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Bis[tetrakis(pyridin-2-yl)methane-κ3N,N′,N′′]cobalt(II) tetrakis(thiocyanato-κN)cobaltate(II) methanol monosolvate

Acta Crystallographica Section E Structure Reports Online ◽

10.1107/s160053681400289x ◽

2014 ◽

Vol 70 (3) ◽

pp. m96-m97 ◽

Cited By ~ 3

Author(s):

Yuya Tsunezumi ◽

Kouzou Matsumoto ◽

Shinya Hayami ◽

Akira Fuyuhiro ◽

Satoshi Kawata

Keyword(s):

Complex Anion ◽

Complex Cation ◽

Solvent Molecule ◽

Octahedral Geometry ◽

Title Complex ◽

Distorted Octahedral Geometry ◽

Weak Hydrogen Bond ◽

Tetrahedral Geometry ◽

Distorted Tetrahedral Geometry ◽

Distorted Octahedral

The title complex, [Co(C21H16N4)2][Co(NCS)4]·CH3OH, consists of one [Co{C(py)4}2]2+complex cation [C(py)4= tetrakis(pyridin-2-yl)methane], one [Co(NCS)4]2−complex anion and a methanol solvent molecule. In the cation, the CoIIatom is coordinated by six N atoms of two C(py)4ligands in a distorted octahedral geometry. In the anion, the CoIIatom is coordinated by the N atoms of four NCS−ligands in a distorted tetrahedral geometry. The methanol molecule is disordered and was modelled over three orientations (occupancies 0.8:0.1:0.1). There are two weak hydrogen-bond-like interactions between the methanol solvent molecule and NCS−ligands of the anion [O...S = 3.283 (3) and 3.170 (2) Å].

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Crystal structure of the coordination compound of triiodidomethyltin(IV) with 2,2′-bipyridine, MeSnI3·bipy

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989015022975 ◽

2016 ◽

Vol 72 (1) ◽

pp. 17-20

Author(s):

Hans Reuter ◽

Martin Reichelt

Keyword(s):

Chelate Ring ◽

Octahedral Geometry ◽

Distorted Octahedral Geometry ◽

Orthorhombic Space Group ◽

Methyl Group ◽

Bond Lengths ◽

Distorted Octahedral ◽

Bipyridine Ligand ◽

Twisting Angle ◽

Van Der Waals Contacts

The title compound, (2,2′-bipyridine-κ2N,N′)triiodidomethyltin(IV), [Sn(CH3)I3(C10H8N2)], crystallizing in the non-centrosymmetric orthorhombic space groupPca21as an inversion twin, represents one of the few structurally characterized coordination compounds of an organotin(IV) trihalide with 2,2′-biypridine. Its distorted octahedral geometry shows a meridional arrangement of the I atoms and the methyl group is in-plane with the five-membered chelate ring. Asymmetric bonding of the biypridine ligand to the tin(IV) atom is reflected by different Sn—N bond lengths [2.268 (4) Åversus2.293 (4) Å] and caused by the statictranseffect of the methyl group. Sn—I bond lengths show some differences with respect to their orientation to the methyl group or the bipyridine ligand, respectively. Angular distortions in the coordination sphere of the SnIVatom mainly arise from the large I atoms. Distortion of the 2,2′-bipyridine ligand as a result of its coordination to the SnIVatom are described by the twisting angle of 2.5 (2)° between the least-squares planes of the two pyridine rings, as well as by the angle of 6.2 (2)° between the two lines through the pyridine-connecting C atoms and thepara-orientated C atoms. Directional intermolecular interactions are restricted to weak I...H van der Waals contacts.

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Bis(propane-1,3-diamine)disaccharinatonickel(II)

Acta Crystallographica Section E Structure Reports Online ◽

10.1107/s1600536812010525 ◽

2012 ◽

Vol 68 (4) ◽

pp. m425-m426 ◽

Cited By ~ 1

Author(s):

Gökhan Kaştaş ◽

Can Kocabıyık

Keyword(s):

Metal Ion ◽

Crystal Packing ◽

Chair Conformation ◽

Membered Ring ◽

Octahedral Geometry ◽

Distorted Octahedral Geometry ◽

Inversion Center ◽

One Dimensional ◽

Dimensional Network ◽

Distorted Octahedral

In the title complex, [Ni(C7H4NO3S)2(C3H10N2)2] or [Ni(sac)2(pen)2] (sac = saccharinate or 1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-ide and pen = propane-1,3-diamine), the NiIIion sits on an inversion center, being coordinated by two N atoms of the sac ligands, which occupytranspositions, and four N atoms of the bidentate pen ligands to define a distorted octahedral geometry. The pen ligands chelate the metal ion, forming a six-membered ring which adopts a half-chair conformation, while the sac ligands adopt the most common coordination mode. The crystal packing is stabilized by N—H...O hydrogen bonds, which form a one-dimensional network along [010]. It is also supported by an N—H...S hydrogen bond between the amine group of the pen ligand and the sulfonyl group of the sac ligand.

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Crystal structure ofcis-aquabis(2,2′-bipyridine-κ2N,N′)chloridochromium(III) tetrachloridozincate determined from synchrotron data

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989016001870 ◽

2016 ◽

Vol 72 (3) ◽

pp. 280-282 ◽

Cited By ~ 2

Author(s):

Dohyun Moon ◽

Keon Sang Ryoo ◽

Jong-Ha Choi

Keyword(s):

Crystal Structure ◽

Hydrogen Bonding ◽

Water Molecule ◽

Chloride Anion ◽

Octahedral Geometry ◽

Distorted Octahedral Geometry ◽

Bond Lengths ◽

Distorted Octahedral

The structure of the title salt, [CrCl(C10H8N2)2(H2O)][ZnCl4], has been determined from synchrotron data. The CrIIIion is coordinated by four N atoms from two 2,2′-bipyridine (bipy) ligands, one O atom from a water molecule and a chloride anion in acisarrangement, displaying a distorted octahedral geometry. The tetrahedral [ZnCl4]2−anion is slightly distorted owing to its involvement in O—H...Cl hydrogen bonding with the coordinating water molecule. The Cr—N(bipy) bond lengths are in the range 2.0485 (13)–2.0632 (12) Å, while the Cr—Cl and Cr—(OH2) bond lengths are 2.2732 (6) and 1.9876 (12) Å, respectively. In the crystal, molecules are stacked along theaaxis.

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