Crystallography Open Database

Information card for entry 1517595

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Coordinates	1517595.cif

Structure parameters

Formula	C120 H132 N12 O37 Zn6
Calculated formula	C120 H132 N12 O37 Zn6
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	20.0297 ± 0.001 Å
b	14.8284 ± 0.0007 Å
c	22.9351 ± 0.0011 Å
α	90°
β	111.256 ± 0.001°
γ	90°
Cell volume	6348.5 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.0988
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1975
Weighted residual factors for all reflections included in the refinement	0.2116
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
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.	1517595.cif
123541	2014-09-08	cif/ Adding structures of 1517595 via cif-deposit CGI script.	1517595.cif