Crystallography Open Database

Information card for entry 4329722

Preview

Structure parameters

Formula	C59.5 H90 Cl2 Ge N2 P2 Se
Calculated formula	C59.5 H90 Cl2 Ge N2 P2 Se
Title of publication	Chalcogeno[bis(phosphaalkenyl)] Germanium and Tin Compounds
Authors of publication	Tibor-Gabor Kocsor; Dimitri Matioszek; Gabriela Nemeş; Annie Castel; Jean Escudié; Petronela M. Petrar; Nathalie Saffon; Ionel Haiduc
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7782 - 7787
a	9.9799 ± 0.0005 Å
b	22.0637 ± 0.0012 Å
c	27.7366 ± 0.0015 Å
α	87.142 ± 0.003°
β	87.901 ± 0.002°
γ	82.048 ± 0.002°
Cell volume	6038.4 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.1285
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4329722.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4329722.cif
78959	2013-04-03	cif/ Adding structures of 4329722 via cif-deposit CGI script.	4329722.cif