Crystallography Open Database

Information card for entry 4503943

Preview

Coordinates	4503943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 Cd N7 O5
Calculated formula	C28 H26 Cd N7 O5
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	30.815 ± 0.004 Å
b	10.3982 ± 0.0013 Å
c	17.918 ± 0.002 Å
α	90°
β	103.038 ± 0.003°
γ	90°
Cell volume	5593.3 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
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.	4503943.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4503943.cif
44833	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4503943 via cif-deposit CGI script.	4503943.cif