Crystallography Open Database

Information card for entry 1513003

Preview

Coordinates	1513003.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	copper imidazole based phoshomolybdate
Formula	C27 H37 Cu2 Mo5 N18 O26 P2
Calculated formula	C27 H37 Cu2 Mo5 N18 O26 P2
Title of publication	Crystallization of phosphomolybdate clusters mediated by copper azole complexes: Influence of pH and temperature
Authors of publication	Jency Thomas; Dinesh Kumar; Arunachalam Ramanan
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	396
Pages of publication	126 - 135
a	14.568 ± 0.006 Å
b	21.181 ± 0.008 Å
c	16.619 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	5128 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.342
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.	1513003.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513003.cif
91327	2013-12-12	cif/ Adding structures of 1513003 via cif-deposit CGI script.	1513003.cif