Crystallography Open Database

Information card for entry 8107033

Preview

Coordinates	8107033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H54 Cd2 N4 O12
Calculated formula	C44 H54 Cd2 N4 O12
Title of publication	Crystal structure of poly[(μ2-2-methyl-1-(4-(2-methyl-2H-benzo[d] imidazol-1(7aH)-yl)butyl)-1H-benzo[d]imidazole-κ2 N:N′)bis(μ3-5-tert-butylbenzene-1,3-dicarboxylato-κ4 O:O,O′:O′′,O′′′)dicadmium(II)] tetrahydrate, C44H54Cd2N4O12
Authors of publication	Li, Shi-Hui; Zhang, Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	871 - 873
a	22.818 ± 0.005 Å
b	10.714 ± 0.002 Å
c	19.163 ± 0.004 Å
α	90°
β	102.43 ± 0.03°
γ	90°
Cell volume	4575 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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
282387 (current)	2023-04-05	cif/ Adding structures of 8107033 via cif-deposit CGI script.	8107033.cif