Crystallography Open Database

Information card for entry 4501247

Preview

Coordinates	4501247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H55 Cd4 N8 O18
Calculated formula	C76 H55 Cd4 N8 O18
Title of publication	Three-Dimensional Cd(II) Coordination Polymers Based on Semirigid Bis(Methylbenzimidazole) and Aromatic Polycarboxylates: Syntheses, Topological Structures and Photoluminescent Properties
Authors of publication	Xu, Chunying; Li, Linke; Wang, Yinping; Guo, Qianqian; Wang, Xianjuan; Hou, Hongwei; Fan, Yaoting
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	10
Pages of publication	4667
a	13.967 ± 0.003 Å
b	15.1 ± 0.003 Å
c	17.078 ± 0.003 Å
α	90°
β	105.38 ± 0.03°
γ	90°
Cell volume	3472.8 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0563
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179543 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/12.	4501247.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501247.cif
34825	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501242, 4501243, 4501244, 4501245, 4501246, 4501247 via cif-deposit CGI script.	4501247.cif