Crystallography Open Database

Information card for entry 1508079

Preview

Coordinates	1508079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H61 Cu12 N34 O10
Calculated formula	C52 H59.5 Cu12 N34 O10
Title of publication	Three new multinuclear motifs in Cu(II)-pyrazolate chemistry
Authors of publication	Mathivathanan, Logesh; Rivera-Carrillo, Marlyn; Raptis, Raphael G
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	391
Pages of publication	201 - 205
a	25.921 ± 0.005 Å
b	18.758 ± 0.004 Å
c	15.948 ± 0.003 Å
α	90°
β	103.004 ± 0.004°
γ	90°
Cell volume	7555 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2044
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.2103
Weighted residual factors for all reflections included in the refinement	0.2508
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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.	1508079.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508079.cif
62625	2012-07-09	cif/ Adding structures of 1508079 via cif-deposit CGI script.	1508079.cif