Crystallography Open Database

Information card for entry 1517593

Preview

Coordinates	1517593.cif

Structure parameters

Formula	C44 H48 Mn3 N4 O16
Calculated formula	C44 H48 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	9.7175 ± 0.0004 Å
b	18.0168 ± 0.0008 Å
c	26.7918 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4690.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	1517593.cif
123539	2014-09-08	cif/ Adding structures of 1517593 via cif-deposit CGI script.	1517593.cif