Crystallography Open Database

Information card for entry 1517589

Preview

Coordinates	1517589.cif

Structure parameters

Formula	C56 H54 Mn3 N4 O16
Calculated formula	C56 H54 Mn3 N4 O16
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	11.8731 ± 0.0004 Å
b	18.4743 ± 0.0007 Å
c	20.5194 ± 0.0005 Å
α	90°
β	142.563 ± 0.001°
γ	90°
Cell volume	2736.03 ± 0.17 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
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	0.0641
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1517589.cif
123535	2014-09-08	cif/ Adding structures of 1517589 via cif-deposit CGI script.	1517589.cif