Crystallography Open Database

Information card for entry 1517823

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Coordinates	1517823.cif

Structure parameters

Formula	C16 H19 Cu N3 O7
Calculated formula	C16 H19 Cu N3 O7
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	8.6901 ± 0.0014 Å
b	15.562 ± 0.003 Å
c	13.569 ± 0.002 Å
α	90°
β	105.63 ± 0.002°
γ	90°
Cell volume	1767.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0475
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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.	1517823.cif
124192	2014-09-24	cif/ Adding structures of 1517823 via cif-deposit CGI script.	1517823.cif