Crystallography Open Database

Information card for entry 1512431

Preview

Coordinates	1512431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Cl0 Mn N4 O12
Calculated formula	C24 H22 Mn N4 O12
Title of publication	Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate
Authors of publication	Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	16 - 24
a	9.8776 ± 0.0008 Å
b	12.6175 ± 0.001 Å
c	11.1748 ± 0.0009 Å
α	90°
β	114.2 ± 0.001°
γ	90°
Cell volume	1270.33 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0511
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512431.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512431.cif
89360	2013-10-24	cif/ Adding structures of 1512431 via cif-deposit CGI script.	1512431.cif