Crystallography Open Database

Information card for entry 1517820

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Coordinates	1517820.cif

Structure parameters

Formula	C56 H62 Cu3 N12 O24 S2
Calculated formula	C56 H62 Cu3 N12 O24 S2
Title of publication	Copper glutarate coordination polymers with dipyridylamide ligands: Effect of donor disposition and steric bulk on structure
Authors of publication	Jacob W. Uebler; Amy L. Pochodylo; Robert L. LaDuca
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	405
Pages of publication	31 - 42
a	10.2538 ± 0.0007 Å
b	11.2279 ± 0.0008 Å
c	15.3232 ± 0.0011 Å
α	110.251 ± 0.001°
β	97.209 ± 0.001°
γ	105.779 ± 0.001°
Cell volume	1544.88 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	1517820.cif
124189	2014-09-24	cif/ Adding structures of 1517820 via cif-deposit CGI script.	1517820.cif