Crystallography Open Database

Information card for entry 4510557

Preview

Coordinates	4510557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H78 Cd6 N4 O33
Calculated formula	C104 H60 Cd6 N4 O33
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	9.3011 ± 0.0019 Å
b	13.991 ± 0.003 Å
c	19.562 ± 0.004 Å
α	95.54 ± 0.03°
β	99.9 ± 0.03°
γ	103.17 ± 0.03°
Cell volume	2417.2 ± 1 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	0.0493
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1044
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179652 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05.	4510557.cif
119056	2014-07-05	cif/ Updating files of 4510554, 4510555, 4510556, 4510557 Original log message: Adding full bibliography for 4510554--4510557.cif.	4510557.cif
112483	2014-05-02	cif/ Adding structures of 4510554, 4510555, 4510556, 4510557 via cif-deposit CGI script.	4510557.cif