Crystallography Open Database

Information card for entry 7214611

Preview

Coordinates	7214611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 Mn1.5 N2 O13
Calculated formula	C29 H31 Mn1.5 N2 O13
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	17.438 Å
b	11.119 Å
c	18.114 Å
α	90°
β	115.64°
γ	90°
Cell volume	3166.34 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.2192
Weighted residual factors for all reflections included in the refinement	0.2399
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7214611.cif
110321	2014-04-18	cif/ Adding structures of 7214607, 7214608, 7214609, 7214610, 7214611, 7214612, 7214613, 7214614 via cif-deposit CGI script.	7214611.cif