Crystallography Open Database

Information card for entry 7211734

Preview

Coordinates	7211734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 Mn2 N4 O16 S
Calculated formula	C40 H38 Mn2 N4 O16 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	17.581 ± 0.002 Å
b	27.365 ± 0.003 Å
c	8.8889 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4276.5 ± 0.9 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1435
Weighted residual factors for all reflections included in the refinement	0.1514
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	7211734.cif
92323	2014-01-12	cif/ Adding structures of 7211730, 7211731, 7211732, 7211733, 7211734 via cif-deposit CGI script.	7211734.cif