Crystallography Open Database

Information card for entry 4317525

Preview

Coordinates	4317525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H67 Cr N O P3 Te12
Calculated formula	C72 H60 Cr P3 Te12
SMILES	[Cr]123([Te][Te][Te][Te]1)([Te][Te][Te][Te]2)[Te][Te][Te][Te]3.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and Structure of [PPh4]3[Cr(Te4)3].DMF: The First Tris(tetratelluride) Complex
Authors of publication	Perumal Sekar; James A. Ibers
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	450 - 451
a	12.991 ± 0.003 Å
b	14.782 ± 0.003 Å
c	24.628 ± 0.005 Å
α	90.63 ± 0.03°
β	104.45 ± 0.03°
γ	106.49 ± 0.03°
Cell volume	4374.3 ± 1.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.182
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4317525.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317525.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317525.cif
12282	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4317525 via cif-deposit CGI script.	4317525.cif