Crystallography Open Database

Information card for entry 4506504

Preview

Coordinates	4506504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H38 Co2 N10 O8
Calculated formula	C52 H38 Co2 N10 O8
Title of publication	Metal‒Organic Frameworks Based on Flexible V-Shaped Polycarboxylate Acids: Hydrogen Bondings, Non-Interpenetrated and Polycatenated
Authors of publication	Yang, Qingxiang; Chen, Xingqiu; Cui, Jiehu; Hu, Jinsong; Zhang, Mingdao; Qin, Ling; Wang, Gaofeng; Lu, Qingyi; Zheng, Hegen
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	8
Pages of publication	4072
a	13.496 ± 0.007 Å
b	13.547 ± 0.005 Å
c	15.455 ± 0.005 Å
α	79.84 ± 0.005°
β	87.95 ± 0.008°
γ	60.152 ± 0.005°
Cell volume	2407.9 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1071
Residual factor for significantly intense reflections	0.0919
Weighted residual factors for significantly intense reflections	0.248
Weighted residual factors for all reflections included in the refinement	0.2615
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
179601 (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 4/50/65.	4506504.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506504.cif
66195	2012-09-09	cif/ Adding structures of 4506504, 4506505, 4506506, 4506507, 4506508 via cif-deposit CGI script.	4506504.cif