Crystallography Open Database

Information card for entry 1517591

Preview

Coordinates	1517591.cif

Structure parameters

Formula	C10 H11 Mn N O5 S
Calculated formula	C10 H11 Mn N O5 S
Title of publication	Influential factors on assembly of first-row transition metal coordination polymers
Authors of publication	Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	403
Pages of publication	53 - 62
a	11.8527 ± 0.0006 Å
b	18.29 ± 0.0007 Å
c	11.4991 ± 0.0006 Å
α	90°
β	99.02 ± 0.005°
γ	90°
Cell volume	2462 ± 0.2 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1229
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.178
Goodness-of-fit parameter for all reflections included in the refinement	0.847
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517591.cif
123537	2014-09-08	cif/ Adding structures of 1517591 via cif-deposit CGI script.	1517591.cif