Crystallography Open Database

Information card for entry 7208279

7208278 << 7208279 >> 7208280

Preview

Coordinates	7208279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H135 N13 O57 Zn11
Calculated formula	C108 H36 O94 Zn22
Title of publication	Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks
Authors of publication	Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	17
Pages of publication	5596
a	20.573 ± 0.005 Å
b	20.573 ± 0.005 Å
c	20.573 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	8707 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.1762
Residual factor for significantly intense reflections	0.1016
Weighted residual factors for significantly intense reflections	0.2972
Weighted residual factors for all reflections included in the refinement	0.3583
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180413 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/82.	7208279.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208279.cif
64239	2012-08-11	cif/ Adding structures of 7208278, 7208279, 7208280, 7208281, 7208282, 7208283, 7208284 via cif-deposit CGI script.	7208279.cif