Crystallography Open Database

Information card for entry 7214614

Preview

Coordinates	7214614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C208 H Mn12 N8 O80
Calculated formula	C208 H176 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	27.752 ± 0.004 Å
b	21.889 ± 0.003 Å
c	9.5237 ± 0.0013 Å
α	90°
β	107.685 ± 0.003°
γ	90°
Cell volume	5511.9 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1209
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.134
Weighted residual factors for all reflections included in the refinement	0.1484
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	7214614.cif
110321	2014-04-18	cif/ Adding structures of 7214607, 7214608, 7214609, 7214610, 7214611, 7214612, 7214613, 7214614 via cif-deposit CGI script.	7214614.cif