Crystallography Open Database

Information card for entry 4510556

Preview

Coordinates	4510556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H61 Cd3 N6 O17.5 S2
Calculated formula	C74 H42 Cd3 N6 O16.5 S2
Title of publication	Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants
Authors of publication	Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	6
Pages of publication	3035
a	12.072 ± 0.002 Å
b	14.124 ± 0.003 Å
c	14.338 ± 0.003 Å
α	104.16 ± 0.03°
β	104.51 ± 0.03°
γ	114.4 ± 0.03°
Cell volume	1980.2 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1905
Weighted residual factors for all reflections included in the refinement	0.1994
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4510556.cif
119056	2014-07-05	cif/ Updating files of 4510554, 4510555, 4510556, 4510557 Original log message: Adding full bibliography for 4510554--4510557.cif.	4510556.cif
112483	2014-05-02	cif/ Adding structures of 4510554, 4510555, 4510556, 4510557 via cif-deposit CGI script.	4510556.cif