Crystallography Open Database

Information card for entry 8107059

Preview

Coordinates	8107059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H42 Cd2 N4 O14
Calculated formula	C52 H38 Cd2 N4 O12 S2
Title of publication	Crystal structure of poly-[μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2 N:N′)-bis(μ4-4,4′-sulfonyldibenzoato-κ4 O:O′:O′′:O′′′)dicadmium(II)] monohydrate, C52H42N4O14Cd2
Authors of publication	Xu, Chunying; Tang, Siye; Chu, Wenjuan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	951 - 953
a	9.0684 ± 0.0018 Å
b	12.585 ± 0.003 Å
c	12.697 ± 0.003 Å
α	101.14 ± 0.03°
β	106.98 ± 0.03°
γ	102.06 ± 0.03°
Cell volume	1304.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
282503 (current)	2023-04-07	cif/ Adding structures of 8107059 via cif-deposit CGI script.	8107059.cif