Crystallography Open Database

Information card for entry 7211736

Preview

Coordinates	7211736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H42 N8 O10 S Zn2
Calculated formula	C56 H42 N8 O10 S Zn2
Title of publication	Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands
Authors of publication	Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	4
Pages of publication	1175
a	10.4927 ± 0.0013 Å
b	10.6448 ± 0.0014 Å
c	45.543 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	5086.8 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
180448 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/17.	7211736.cif
92327	2014-01-12	cif/ Adding structures of 7211735, 7211736, 7211737, 7211738, 7211739 via cif-deposit CGI script.	7211736.cif