New X-ray powder diffraction data for the series CpMn(CO)3, Cp(CO)2Mn=C=CHPh, [Cp(CO)2Mn]2(μ-C=CHPh), and [Cp(CO)2Mn]2(μ-C4Ph2) complexes (Cp=η5-C5H5)

2004 ◽  
Vol 19 (2) ◽  
pp. 165-171 ◽  
Author(s):  
Alla B. Antonova ◽  
Oleg S. Chudin ◽  
Sergei D. Kirik
Keyword(s):  
Single Crystal ◽  
Powder Diffraction ◽  
Diffraction Method ◽  
Carbonyl Complexes ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Orthorhombic Cell ◽  
Manganese Carbonyl ◽  
Monoclinic Cell

Four manganese carbonyl complexes: CpMn(CO)3 (1) and its phenylvinylidene derivatives Cp(CO)2Mn=C=CHPh (2), [Cp(CO)2Mn]2(μ-C=CHPh) (3), and Cp(CO)2Mn=C=C(Ph)–C(Ph)=C=Mn(CO)2Cp (4) have been studied by X-ray powder diffraction and their unit cell parameters are reported. The monoclinic cell parameters found for complex (1) are a=12.0479(7) Å, b=7.0614(5) Å, c=10.9172(6) Å, β=117.626(2)°, Z=4, space group P2(1)/a (No. 14). The orthorhombic cells parameters for complex (2) are a=10.5240(12) Å, b=33.1105(48) Å, c=7.5007(9) Å, Z=8, space group PCCN (No. 56); for complex (3) are a=15.3545(17) Å, b=15.3966(18) Å, c=8.0033(7) Å, Z=4, space group P21212121 (No. 19). The parameters found for complexes (1–3) are in good agreement with those obtained from single crystal X-ray diffractometry. The single crystal structure of complex (4) has not been studied. The orthorhombic cell parameters for complex (4) found by X-ray powder diffraction method are a=10.0986(9) Å, b=33.2937(27) Å, c=7.4139(5) Å, Z=4, space group P21 (No. 4).

New X-ray powder diffraction data for heterometallic complexes with unsaturated organic ligands Cp(CO)2MnPt(μ-C=CHPh)(η2-dppm), [Cp(CO)2MnCu(μ-C=CHPh)]2(μ-Cl)2, CpMnFe2(μ3-C=CHPh)(CO)8 and η4-[Cp(CO)2MnC(CO)CHPh]Fe(CO)3(Cp=η5-C5H5;dppm=Ph2PCH2PPh2)

2005 ◽  
Vol 20 (3) ◽  
pp. 246-253
Author(s):  
Alla B. Antonova ◽  
Oleg S. Chudin ◽  
Sergei D. Kirik
Keyword(s):  
Powder Diffraction ◽  
Heterometallic Complexes ◽  
Carbonyl Complexes ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Orthorhombic Cell ◽  
Monoclinic Cell ◽  
Good Agreement

Four heterometallic carbonyl complexes: (1) Cp(CO)2MnPt(μ-C=CHPh)dppm) (2) [Cp(CO)2MnCu(μ-C=CHPh)(μ-Cl)]2, (3) CpMnFe2(μ3-C=CHPh)(CO)8, and (4) η4-[Cp(CO)2MnC(CO)CHPh]Fe(CO)3 have been studied by X-ray powder diffraction and their unit cell parameters are reported. Orthorhombic cell parameters for complex (1) are a=18.5719(14) Å, b=18.6092(14) Å, c=23.8117(18) Å, Z=8, space group Pbca. Monoclinic cell parameters found for complex (2) are a=11.5816(5) Å, b=7.9784(5) Å, c=16.7819(7) Å, β=105.460(2)°, Z=2, space group P21∕n. Orthorhombic cell parameters for complex (3) are a=13.5260(9) Å, b=15.1487(10) Å, c=10.3330(6) Å, Z=4, space group Pna21. Monoclinic cell parameters for complex (4) are a=10.3545(45) Å, b=8.0002(43) Å, c=21.8355(95) Å, β=102.89(2), Z=4, space group P21∕c. Parameters found for complexes (1–4) are in good agreement with those obtained from single crystal X-ray diffractometry.

X-ray diffraction data of C16H14O4Ru2M (M=Ge,Si)

2002 ◽  
Vol 17 (1) ◽  
pp. 44-47
Author(s):  
Yu PuLan ◽  
Ding Shuang ◽  
Qiao YuanYuan ◽  
Yao XinKan ◽  
Liu Chong ◽  
...  
Keyword(s):  
Single Crystal ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Monoclinic Cell ◽  
Good Agreement

Two compounds have been studied by means of powder diffraction and their unit cell parameters are reported. The monoclinic cell parameters for dimethylgermanyl-bridged bis cyclopentadienyl tetracarbonyl diruthenium are a=11.03(2) Å, b=13.65(2) Å, c=11.609(2) Å, β=105.81(1)°, Z=4, space group P21/n (No. 14), Dx=2.135 mg/m3. The monoclinic cell parameters for λ-dimethylsilyl-dicyclopentadienyl-π, π′-tetracarbonyl diruthenium, are a=11.113(3) Å, b=13.60(1) Å, c=11.674(7) Å, and β=106.00(3)°, Z=4, space group P21/n (No. 14), and Dx=1.946 mg/m3. The cells found for the two compounds are in good agreement with those obtained from single crystal X-ray diffractometry.

scholarly journals Structure, Infrared and Raman spectroscopic studies of new AII(SbV0.50CrIII0.50)(PO4)2 (A = Ba, Sr, Pb) yavapaiite phases

2020 ◽  
Vol 10 (8) ◽  
pp. 734
Author(s):  
Hajar Bellefqih ◽  
Rachid Fakhreddine ◽  
Rachid Tigha ◽  
Abderrahim Aatiq
Keyword(s):  
Diffraction Method ◽  
Rietveld Analysis ◽  
Spectroscopic Studies ◽  
Conventional Solid State Reaction ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Raman Spectroscopic ◽  
Air Atmosphere ◽  
Monoclinic Cell

<p class="Mabstract">Three new A<sup>II</sup>(Sb<sub>0.5</sub>Cr<sub>0.5</sub>)(PO<sub>4</sub>)<sub>2</sub> (A<sup>II</sup> = Ba, Sr, Pb) yavapaiite phases, abbreviated as [ASbCr], have been successfully synthesized by a conventional solid-state reaction in air atmosphere. Their crystal structures have been investigated by Rietveld analysis from the X-ray powder diffraction method. Results show that Ba(Sb<sub>0.5</sub>Cr<sub>0.5</sub>)(PO<sub>4</sub>)<sub>2</sub> crystallizes in monoclinic <em>C</em>2<em>/m</em> space group (Z = 2) with cell parameters a = 8.140(1) Å; b = 5.175(1) Å; c = 7.802(1) Å and β = 94.387(1)°. Structures of A<sup>II</sup>(Sb<sub>0.5</sub>Cr<sub>0.5</sub>)(PO<sub>4</sub>)<sub>2</sub> (A<sup>II </sup>= Sr, Pb) compounds are comparable, and both crystallize in a distorted yavapaiite structure with <em>C</em>2<em>/c</em> space group (Z = 4). Obtained monoclinic cell parameters are: a = 16.5038(2) Å; b = 5.1632(1) Å; c = 8.0410(1) Å; β = 115.85(1) for [SrSbCr] and a = 16.684(2) Å; b = 5.156(1) Å c = 8.115(1) Å; β = 115.35(1)° for [PbSbCr]. Infrared and Raman spectroscopic study was undertaken to provide information about vibrations bonds within the studied yavapaiite materials.</p>

Structure of Gd(5-x)HoxSi4 Solid Solutions

2008 ◽  
Vol 368-372 ◽  
pp. 632-634 ◽  
Author(s):  
Y.F. Zhou ◽  
Yong Mei Hao ◽  
Zhong Bo Hu
Keyword(s):  
Powder Diffraction ◽  
Solid Solutions ◽  
Systematic Study ◽  
Diffraction Method ◽  
Unit Cell ◽  
Orthorhombic Structure ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

A new systematic study of the formation and structure of solid solutions Gd (5-x)HoxSi4 (x = 1.0-5.0) has been performed. By X-ray powder diffraction method, it was found that these compounds all crystallize in orthorhombic structure with space group Pnma and the cell parameters a, b, c and the volume of unit cell are correlated with the holmium content.

X-ray powder diffraction data of the novel copper and iron complexes as models for the active site in metalloproteins

2003 ◽  
Vol 18 (2) ◽  
pp. 144-146
Author(s):  
V. G. Vlasenko ◽  
A. T. Shuvaev ◽  
V. A. Shuvaeva ◽  
A. I. Uraev
Keyword(s):  
Powder Diffraction ◽  
Active Site ◽  
The Novel ◽  
Powder Diffraction Data ◽  
Iron Chelates ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Monoclinic Cell

Two novel copper and iron chelates have been studied by powder diffraction. The cell parameters for triclinic (space group P 1 (2)) C25H21CuN3SO4 are a=9.636(2) Å; b=11.014(1) Å; c=11.233(3) Å; α=83.55(2); β=82.45(6); γ=76.36(2); Z=2; Dx=1.456 g cm−3. The monoclinic cell parameters (space group P 21/c (14)) for C40H30Cl4Fe2N8S2 are a=11.464(8) Å; b=17.462(1) Å; c=20.550(6) Å; β=103.534(1); Z=2; Dx=1.356 g cm−3.

Etude structurale du fluorure de chloryle en phase solide

1978 ◽  
Vol 56 (12) ◽  
pp. 1634-1637 ◽  
Author(s):  
Georges Tantot ◽  
Philippe Joubert ◽  
Roland Bougon
Keyword(s):  
Neutron Diffraction ◽  
Powder Diffraction ◽  
Solid Phase ◽  
Density Measurements ◽  
Space Group ◽  
X Ray ◽  
Orthorhombic Cell ◽  
Diffraction Patterns ◽  
Monoclinic Cell

Chloryl fluoride, ClO2F was studied in its solid phase by X-ray and neutron diffraction techniques and by vibrational spectroscopy.The powder diffraction patterns of ClO2F were indexed by comparison with ClF3. At 77 K, the parameters of the monoclinic cell of ClO2F are as follows: a = 8.85 ± 0.02 Å, b = 6.17 ± 0.02 Å, c = 4.62 ± 0.01 Ǻ, β = 95.0 ± 0.1°, Z = 4. This cell, which can be thought as arising from a slight monoclinic deformation of the orthorhombic cell of ClF3, is consistent with the density measurements also performed on ClO2F and ClF3.The space group [Formula: see text] was found to be the best compatible with both the vibrational data and the lines observed in the powder diffraction patterns for ClO2F in the polycrystalline state.

About alkali metal dicyanamides: syntheses, single-crystal structure determination, DSC/TG and vibrational spectra of KCs[N(CN)2]2 and NaRb2[N(CN)2]3 · H2O

2015 ◽  
Vol 70 (6) ◽  
pp. 365-372 ◽  
Author(s):  
Olaf Reckeweg ◽  
Ryo H. Wakabayashi ◽  
Francis J. DiSalvo ◽  
Armin Schulz ◽  
Christof Schneck ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Alkali Metal ◽  
Aqueous Solutions ◽  
Single Crystal ◽  
Powder Diffraction ◽  
Vibrational Spectra ◽  
Structure Determination ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

AbstractTransparent colorless crystals of KCs[N(CN)2]2 and NaRb2[N(CN)2]3 · H2O were obtained by blending aqueous solutions of Na[N(CN)2] and RbF or KF, respectively. After evaporation of the water, the remaining solid was extracted with absolute ethanol and the solvent was allowed to evaporate at r. t.. KCs[N(CN)2]2 crystallizes in the space group C2/c (no. 15) with the cell parameters a = 1382.7(2), b = 998.1(1) and c = 1455.4(2) pm, and β = 118.085(4) °. The structure of NaRb2[N(CN)2]3 · H2O is exhibiting the space group P63/m (no. 176) with the cell parameters a = 705.98(7) and c = 1462.89(12) pm. Single-crystalline α-K[N(CN)2] was obtained while attempting to synthesize ‘NaK2[N(CN)2]3’, corroborating the results of previous X-ray powder diffraction experiments. Vibrational spectra and DSC/TGA analyses complete our results.

Improved Crystallographic Data for AlNbO4

1991 ◽  
Vol 6 (1) ◽  
pp. 48-49 ◽  
Author(s):  
C. J. Rawn ◽  
R. S. Roth ◽  
H. F. McMurdie
Keyword(s):  
Single Crystal ◽  
Least Squares ◽  
Powder Diffraction ◽  
Unit Cell ◽  
Crystallographic Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

AbstractThe compound AlNbO4 has been studied by single crystal X-ray precession photographs and X-ray powder diffraction. Unit cell dimensions were calculated using a least squares analysis that refined to a Δ2θ° of no more than 0.03°. A monoclinic cell was found with space group C2/m, a = 12.1558(5)Å, b = 3.7345(2)Å, c = 6.4886(3)Å, and β = 107.613(4)°.

X-ray powder diffraction data for tetrazene nitrate monohydrate, C2H9N11O4

2021 ◽  
pp. 1-3
Author(s):  
J. Maixner ◽  
J. Ryšavý
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

X-ray powder diffraction data, unit-cell parameters, and space group for tetrazene nitrate monohydrate, C2H9N11O4, are reported [a = 5.205(1) Å, b = 13.932(3) Å, c = 14.196(4) Å, β = 97.826(3)°, unit-cell volume V = 1019.8(4) Å3, Z = 4, and space group P21/c]. All measured lines were indexed and are consistent with the P21/c space group. No detectable impurities were observed.

Crystal data and X-ray powder diffraction data of 2,4-diiodo-4-nitrophenol (disophenol), C6H3I2NO3. More precise X-ray powder diffraction data of p-nitrophenol, C6H5NO3

1996 ◽  
Vol 11 (4) ◽  
pp. 301-304
Author(s):  
Héctor Novoa de Armas ◽  
Rolando González Hernández ◽  
José Antonio Henao Martínez ◽  
Ramón Poméz Hernández
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

p-nitrophenol, C6H5NO3, and disophenol, C6H3I2NO3, have been investigated by means of X-ray powder diffraction. The unit cell dimensions were determined from diffractometer methods, using monochromatic CuKα1 radiation, and evaluated by indexing programs. The monoclinic cell found for p-nitrophenol was a=6.159(2) Å, b=8.890(2) Å, c=11.770(2) Å, β=103.04(2)°, Z=4, space group P21 or P2l/m, Dx=1.469 Mg/m3. The monoclinic cell found for disophenol has the dimensions a=8.886(1) Å, b=14.088(2) Å, c=8.521(1) Å, β=91.11(1)°, Z=4, space group P2, P2, Pm or P2/m, Dx=2.438 Mg/m3.

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