Crystallography Open Database

Information card for entry 1508075

Preview

Coordinates	1508075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H43 Cu6 F9 N24 O11 S3
Calculated formula	C39 H43 Cu6 F9 N24 O11 S3
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	13.789 ± 0.007 Å
b	13.789 ± 0.007 Å
c	17.998 ± 0.012 Å
α	90°
β	90°
γ	120°
Cell volume	2964 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.1489
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.1097
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	1508075.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508075.cif
62621	2012-07-09	cif/ Adding structures of 1508075 via cif-deposit CGI script.	1508075.cif