Crystallography Open Database

Information card for entry 4327840

Preview

Coordinates	4327840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 As2 Mn3 N6 O S6
Calculated formula	C36 H26 As2 Mn3 N6 O S6
Title of publication	Structural Diversity, Optical and Magnetic Properties of a Series of Manganese Thioarsenates with 1,10-Phenanthroline or 2,2'-Bipyridine Ligands: Using Monodentate Methylamine as an Alkalinity Regulator
Authors of publication	Guang-Ning Liu; Guo-Cong Guo; Feng Chen; Shuai-Hua Wang; Jing Sun; Jin-Shun Huang
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	472 - 482
a	13.1316 ± 0.0011 Å
b	20.239 ± 0.0011 Å
c	15.7388 ± 0.0014 Å
α	90°
β	109.372 ± 0.004°
γ	90°
Cell volume	3946.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0591
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179381 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/78.	4327840.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4327840.cif
76762	2013-03-21	cif/ Adding structures of 4327840 via cif-deposit CGI script.	4327840.cif