Crystallography Open Database

Information card for entry 4506508

Preview

Coordinates	4506508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H23 N5 O4 Zn
Calculated formula	C32 H23 N5 O4 Zn
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	9.8322 ± 0.0017 Å
b	10.2287 ± 0.0017 Å
c	15.171 ± 0.003 Å
α	72.934 ± 0.002°
β	84.297 ± 0.003°
γ	63.824 ± 0.002°
Cell volume	1308.2 ± 0.4 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	0.0705
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.2016
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
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.	4506508.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506508.cif
66195	2012-09-09	cif/ Adding structures of 4506504, 4506505, 4506506, 4506507, 4506508 via cif-deposit CGI script.	4506508.cif