Crystallography Open Database

Information card for entry 4509956

Preview

Coordinates	4509956.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Manganese sulfonyldibenzoates
Formula	C48 H30 Mn3 N2 O23 S3
Calculated formula	C48 H30 Mn3 N2 O23 S3
Title of publication	Organization of Mn-Clusters inpcuandbcuNetworks: Synthesis, Structure, and Properties
Authors of publication	Bhattacharya, Saurav; Gnanavel, M.; Bhattacharyya, Aninda J.; Natarajan, Srinivasan
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	1
Pages of publication	310
a	15.9995 ± 0.0005 Å
b	18.1852 ± 0.0007 Å
c	24.8199 ± 0.0007 Å
α	90°
β	102.917 ± 0.003°
γ	90°
Cell volume	7038.7 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0883
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1823
Weighted residual factors for all reflections included in the refinement	0.1996
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179635 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/99.	4509956.cif
104148	2014-03-10	cif/ Adding structures of 4509956, 4509957 via cif-deposit CGI script.	4509956.cif