Crystallography Open Database

Information card for entry 8105110

Preview

Coordinates	8105110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H18 Cd2 N2 O10 S2
Calculated formula	C30 H18 Cd2 N2 O10 S2
Title of publication	The crystal structure of catena-poly[diaqua-(μ4-5-(benzo[d]thiazol-2-yl)benzene-1,3-dicarboxylate-κ4 O,O′:O′′,O′′′)-(μ4-5-(benzo[d]thiazol-2-yl)benzene-1,3-dicarboxylate-κ4 O,O′:O′′,O′′′)dicadmium(II)], C30H18Cd2N2O10S2
Authors of publication	Zheng, Min
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	367 - 369
a	14.9275 ± 0.0002 Å
b	10.18003 ± 0.00011 Å
c	18.3497 ± 0.0002 Å
α	90°
β	92.0808 ± 0.0013°
γ	90°
Cell volume	2786.63 ± 0.06 Å³
Cell temperature	290.3 ± 0.9 K
Ambient diffraction temperature	290.3 ± 0.9 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	0.0348
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
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
274840 (current)	2022-05-03	cif/ Adding structures of 8105110 via cif-deposit CGI script.	8105110.cif