Crystallography Open Database

Information card for entry 4503941

Preview

Coordinates	4503941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H82 Cd3 N20 O17 S2
Calculated formula	C66 H82 Cd3 N20 O17 S2
Title of publication	Syntheses, Structures, and Physical Properties of Three Novel Metal−Organic Frameworks Constructed from Aromatic Polycarboxylate Acids and Flexible Imidazole-Based Synthons
Authors of publication	Wen, Lili; Lu, Zhenda; Lin, Jianguo; Tian, Zhengfang; Zhu, Huizhen; Meng, Qingjin
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	1
Pages of publication	93
a	10.3899 ± 0.0011 Å
b	12.8135 ± 0.0013 Å
c	13.9528 ± 0.0015 Å
α	82.283 ± 0.002°
β	85.887 ± 0.002°
γ	89.235 ± 0.002°
Cell volume	1836 ± 0.3 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	0.076
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
179574 (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 4/50/39.	4503941.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4503941.cif
44831	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4503941 via cif-deposit CGI script.	4503941.cif