Crystallography Open Database

Information card for entry 7211377

Preview

Coordinates	7211377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H30 Mn3 N4 O12
Calculated formula	C50 H30 Mn3 N4 O12
Title of publication	Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands
Authors of publication	Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	47
Pages of publication	10287
a	9.4312 ± 0.0014 Å
b	9.7651 ± 0.0011 Å
c	12.7597 ± 0.0017 Å
α	108.799 ± 0.011°
β	103.281 ± 0.012°
γ	93.934 ± 0.011°
Cell volume	1069.6 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1053
Residual factor for significantly intense reflections	0.0879
Weighted residual factors for significantly intense reflections	0.2063
Weighted residual factors for all reflections included in the refinement	0.2164
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180444 (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 7/21/13.	7211377.cif
91453	2013-12-13	cif/ Adding structures of 7211372, 7211373, 7211374, 7211375, 7211376, 7211377, 7211378, 7211379 via cif-deposit CGI script.	7211377.cif