Crystallography Open Database

Information card for entry 7211733

Preview

Coordinates	7211733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Mn2 N4 O14 S
Calculated formula	C36 H30 Mn2 N4 O14 S
Title of publication	A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands
Authors of publication	Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	4
Pages of publication	1227
a	12.826 ± 0.003 Å
b	38.75 ± 0.008 Å
c	7.3476 ± 0.0014 Å
α	90°
β	94.165 ± 0.002°
γ	90°
Cell volume	3642.2 ± 1.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
180448 (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 7/21/17.	7211733.cif
92323	2014-01-12	cif/ Adding structures of 7211730, 7211731, 7211732, 7211733, 7211734 via cif-deposit CGI script.	7211733.cif