Crystallography Open Database

Information card for entry 8107593

Preview

Coordinates	8107593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H76 Co2 N16 O16 S2
Calculated formula	C68 H76 Co2 N16 O16 S2
Title of publication	Crystal structure of poly[diaqua-(bis(μ2-1,4-bis(imidazol-1-ylmethyl)benzene)-κ2 N,N′] cobalt(II)-tetraqua-bis(1,4-bis(imidazol-1-ylmethyl)benzene)-κ1N)-cobalt(II) di(2,5-thiophenedicarboxylate) dihydrate, C68H76Co2N16O16S2
Authors of publication	Chen, Jie; Liu, Yang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	5
Pages of publication	891 - 893
a	14.097 ± 0.01 Å
b	19.208 ± 0.015 Å
c	18.998 ± 0.01 Å
α	90°
β	130.71 ± 0.03°
γ	90°
Cell volume	3899 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
286874 (current)	2023-10-10	cif/ Adding structures of 8107593 via cif-deposit CGI script.	8107593.cif