Crystallography Open Database

Information card for entry 7215657

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Structure parameters

Formula	C12 H41 Co Ge2 N9 S6
Calculated formula	C12 H41 Co Ge2 N9 S6
Title of publication	Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks
Authors of publication	Lichte, Jessica; Näther, Christian; Bensch, Wolfgang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	25
Pages of publication	5551
a	14.7043 ± 0.0003 Å
b	9.0099 ± 0.0002 Å
c	21.454 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2842.32 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0479
Weighted residual factors for all reflections included in the refinement	0.0482
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7215657.cif
180487	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/56.	7215657.cif
116160	2014-06-07	cif/ Updating files of 7215654, 7215655, 7215656, 7215657 Original log message: Adding full bibliography for 7215654--7215657.cif.	7215657.cif
112653	2014-05-03	cif/ Adding structures of 7215654, 7215655, 7215656, 7215657 via cif-deposit CGI script.	7215657.cif