Crystal structure of Tris(2-methyl-1,10-phenanthroline)iron(II) tetraphenylborate

1983 ◽  
Vol 36 (6) ◽  
pp. 1115 ◽  
Author(s):  
HA Goodwin ◽  
ES Kucharski ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Study ◽  
High Spin ◽  
Metal Atom ◽  
Title Compound ◽  
Point Symmetry ◽  
X Ray Diffraction ◽  
X Ray

The crystal structure of the title compound [Fe(mphen)3] (BPh4)2 a high-spin derivative of iron(II), has been determined by a single crystal X-ray diffraction study at 295 K, being refined to a residual of 0.055 for 4079 'observed' reflections. Crystals are monoclinic P 21/c, a 12.326(8), b 15.387(8), c 3679(3) �, β 98.80(6)�, Z 4. The metal atom environment is considerably distorted from ideal D3 point symmetry; Fe-N distances range from 2.143(5) to 2.294(4)�.

Crystal structure of Bis(tri-2-pyridylamine)cobalt(II) diperchlorate

1978 ◽  
Vol 31 (12) ◽  
pp. 2647 ◽  
Author(s):  
ES Kucharski ◽  
WR McWhinnie ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
High Spin ◽  
Metal Atom ◽  
Title Compound ◽  
Coordination Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
The One

The crystal structure of the title compound, [Co((C5H4N)3N)2] (ClO4)2, has been determined by single-crystal X-ray diffraction at 295(1) K, i.e. in its pseudo-'high-spin' form, and refined by least squares to a residual of 0.061 for 4639 'observed' reflections. Crystals are monoclinic, P21/a, a 12.811(7), b 17.644(7), c 8.375(4) Ǻ, β 120.15(3)°, Z 2. Whereas in the iron(II) ('low-spin') analogue, the metal atom coordination geometry deviates only trivially from octahedral (<Fe-N> 1.982 Ǻ, <N-Fe-N> within the one ligand 88.1°), in the present compound Co-N ranges from 2.100(2) to 2.152(2) Ǻ and the intraligand N-Co-N angles range from 84.86(7) to 86.09(8)°.

Crystal structure of Bis(O-ethylxanthato)bis(quinolin-8-olato)tin(IV)

1978 ◽  
Vol 31 (12) ◽  
pp. 2641 ◽  
Author(s):  
CL Raston ◽  
AH White ◽  
G Winter
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Coordination Sphere ◽  
Title Compound ◽  
Point Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Oxygen Atoms

The crystal structure of the title compound, [Sn(S2COEt)2(C9H6NO)2], has been determined by single-crystal X-ray diffraction at 298 K and refined by least squares to a residual of 0.049 for 1771 ?observed? reflections. Crystals are monoclinic, P21/n, a 12.21(1), b 24.33(1), c 9.159(7) Ǻ, β 102.12(6)°, Z 4. The environment of the tin atom is six- coordinate: the two coordinating sulfur atoms of the monodentate xanthate ligands lie cis in the coordination sphere [Sn-S, 2.484(4), 2.510(4) Ǻ], and one in turn trans to the two oxine nitrogen atoms [Sn- N, 2.260(8), 2.237(10) Ǻ]. The remaining positions, trans to each other, are occupied by the oxine oxygen atoms [Sn-O, 2.047(7), 2.065(8) Ǻ]. O-Sn-O is 157.0(3)°. The overall point symmetry of the molecule is a good approximation to 2.

Crystal Structure of Tris(acetylacetonato)molybdenum(III)

1979 ◽  
Vol 32 (3) ◽  
pp. 507 ◽  
Author(s):  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
Preceding Paper ◽  
Point Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Status

The crystal structure of the title compound, [MO(C5H7O2)3], has been determined at 295(1) K by single-crystal X-ray diffraction methods and refined by least squares to a residual of 0.040 for 2933 'observed' reflections. Crystals are monoclinic, P21/n, a 16.515(4), b 13.052(4), c 8.152(2) �, β 90.74(2)�, Z 4. The structure comprises discrete molecules of the above complex, the molecular point symmetry being a good approximation to D3, with (Mo-O) 2.07,�, (intraligand) (O-M-O) 87.7�. The status of the structure is examined with regard to the polymorphism of the symmetrical tris(acetylacetonato)metal(III) complexes, and examined in regard to the anomalous magnetism reported in the preceding paper.

Crystal structure of Bis(2,6-diacetylpyridine dihydrazone)cobalt(II) diiodide monohydrate

1978 ◽  
Vol 31 (4) ◽  
pp. 737 ◽  
Author(s):  
BN Figgis ◽  
ES Kucharski ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
High Spin ◽  
Magnetic Moment ◽  
Small Proportion ◽  
Title Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
High Spin Isomer

The crystal structure of the title compound, [Co(C9H13N5)2] I2,H2O, has been determined by single-crystal X-ray diffraction at 295 K and refined by least squares to a residual of 0.058 for 3255 'observed' reflections. Crystals are triclinic, Pī, a 14.934(5), b 11.315(4), c 8.090(3)Ǻ, α 85.19(3), β 87.76(3), γ 74.10(3)°, Z 2. The distances from the cobalt to the central trimethine nitrogen atoms are 1.893(8) and 1.903(8)Ǻ consistent with the almost low-spin behaviour of the complex; the distal Co-N distances range between 2.045(8) and 2.140(8)Ǻ. One of the iodide anions appears to be disordered over two sites populated in the ratio 0.86:0.14; occupancy of the second site together with the magnetic moment of 2.1 BM may indicate a small proportion of the high-spin isomer.

Crystal structure of Hexakis(urea)chromium(III) hexacyanochromate(III) Bis(dimethyl sulfoxide) bis(ethano/)

1984 ◽  
Vol 37 (2) ◽  
pp. 265 ◽  
Author(s):  
BN Figgis ◽  
ES Kucharski ◽  
JM Patrick ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Diffraction Study ◽  
Dimethyl Sulfoxide ◽  
Title Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
Solvent Molecules

The crystal structure of the title compound, [Cr(OC(NH2)2)6] [Cr(CN)6].2(CH3)2SO.2CH3CH2OH, has been determined from a single-crystal X-ray diffraction study at 295(1) K. It was refined by least-squares methods to a residual of 0.039 for 4203 independent 'observed' reflections. Crystals are monoclinic, P21/n, a 17.449(6), b 10.315(4), c 11.726(3) �, β 102.51(2)�, Z 2. Both chromium atoms lie on crystallographic centres of symmetry. Cr-O(urea) are 1.960(2),1.962(2), 1.982(1) � and Cr-C(cyanide) 2.074(2), 2.080(2), 2.081(2) �; the geometries of the ligands and solvent molecules are correspondingly precise.

Crystal structure of Bis(tri-2-pyridylamine)iron(II) diperchlorate

1978 ◽  
Vol 31 (1) ◽  
pp. 53 ◽  
Author(s):  
ES Kucharski ◽  
WR McWhinnie ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Metal Atom ◽  
Title Compound ◽  
Complex Cation ◽  
X Ray Diffraction ◽  
Tridentate Ligands ◽  
X Ray ◽  
The One

The crystal structure of the title compound, [Fe((C5H4N)3N)2] (ClO4)2, has been determined by single-crystal X-ray diffraction at 295 K and refined by least squares to a residual of 0.059 (1995 'observed' reflections). Crystals are monoclinic, P21/a, a 12.815(4), b 17.503(7), c 8.318(3) Ǻ, β 121.38(3)°, Z 2. The complex cation lies with the metal atom on a centre of symmetry, the metal being six-coordinate, so that only one of the tridentate ligands is crystallographically independent. The geometry about the metal atom deviates only trivially from octahedral, <N-Fe-N> within the one ligand being 88.1°. <Fe-N> is 1.982 Ǻ.

Crystal structure of Tris(pyrrolidine-1-carbodithioato)iron(III)

1978 ◽  
Vol 31 (3) ◽  
pp. 547 ◽  
Author(s):  
S Mitra ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
High Spin ◽  
Iron Atom ◽  
Title Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
New Phase

The crystal structure of the title compound, [Fe{CS2N(CH2)4}3] (a new phase prepared from chloro-form/toluene solutions), has been determined by single-crystal X-ray diffraction at 295 K and refined to a residual of 0.059 for 5651 'observed' reflections. Crystals are monoclinic, P21/a, a 18.033(6), b 9.398(2), c 13.176(6) Ǻ, β 100.80(3)°, Z 4. The compound is a purely high-spin derivative, the iron atom being in the usual pseudo-D3 environment with <Fe-S> very long (2.456 Ǻ).

Crystal structure of μ-Oxo-bis-fac-[triaqua-1,10-phenanthrolineiron(III)] Tetrakis(nitrate) monohydrate

1984 ◽  
Vol 37 (7) ◽  
pp. 1405 ◽  
Author(s):  
PC Healy ◽  
JM Patrick ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
High Spin ◽  
Iron Atom ◽  
Title Compound ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
High Spin Iron

The crystal structure of the title compound, [(OH2)3(phen)FeOFe(phen)(OH2)3](NO3)4.(H2O)(phen = 1,10-phenanthroline), has been determined by single-crystal X-ray diffraction methods at 295 K, being refined by least-squares methods to a residual of 0.059 for 3467 independent 'observed'reflections. Crystals are monoclinic, P 21/c, a 18.202(6), b 9.771(4), c 19.459(7) �, β 94.46(3)�, Z = 4. Two of the four anions are disordered. Within the cation, the geometry is typical of high-spin iron(III). O(bridge)-Fe are 1.765(4), 1.784(4) �, with Fe-O-Fe 162.0(3)�. The three water molecules in the coordination sphere of each iron atom are fac; those trans to the O-Fe bond have long Fe-(OH2) distances [2.154(5), 2.125(5) �] compared to those trans to the phenanthroline chelates [2.028(5)-2.037(5) �]. Fe-N range from 2.143(6) to 2.166(6) �.

The first proof of protonated anion tetrahedra in the tsumcorite-type compounds

2004 ◽  
Vol 68 (5) ◽  
pp. 757-767 ◽  
Author(s):  
T. Mihajlović ◽  
H. Effenberger
Keyword(s):  
Crystal Structure ◽  
Hydrothermal Synthesis ◽  
Single Crystal ◽  
Diffraction Data ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
Synthetic Compounds ◽  
X Ray

AbstractHydrothermal synthesis produced the new compound SrCo2(AsO4)(AsO3OH)(OH)(H2O). The compound belongs to the tsumcorite group (natural and synthetic compounds with the general formula M(1)M(2)2(XO4)2(H2O,OH)2; M(1)1+,2+,3+ = Na, K, Rb, Ag, NH4, Ca, Pb, Bi, Tl; M(2)2+,3+ = Al, Mn3+, Fe3+, Co, Ni, Cu, Zn; and X5+,6+ = P, As, V, S, Se, Mo). It represents (1) the first Sr member, (2) the until now unknown [7]-coordination for the M(1) position, (3) the first proof of (partially) protonated arsenate groups in this group of compounds, and (4) a new structure variant.The crystal structure of the title compound was determined using single-crystal X-ray diffraction data. The compound is monoclinic, space group P21/a, with a = 9.139(2), b = 12.829(3), c = 7.522(2) Å, β = 114.33(3)°, V = 803.6(3) Å3, Z = 4 [wR2 = 0.065 for 3530 unique reflections]. The hydrogen atoms were located experimentally.

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