Crystallography Open Database

Information card for entry 7214612

Preview

Coordinates	7214612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H Mn12 N8 O80
Calculated formula	C192 H160 Mn12 N8 O80
Title of publication	The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs
Authors of publication	Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	47
Pages of publication	10389
a	27.565 ± 0.003 Å
b	21.395 ± 0.003 Å
c	9.3865 ± 0.001 Å
α	90°
β	106.317 ± 0.003°
γ	90°
Cell volume	5312.8 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1251
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
180477 (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 7/21/46.	7214612.cif
110321	2014-04-18	cif/ Adding structures of 7214607, 7214608, 7214609, 7214610, 7214611, 7214612, 7214613, 7214614 via cif-deposit CGI script.	7214612.cif