Crystallography Open Database

Information card for entry 4332734

Preview

Coordinates	4332734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H56 Cu8 N12 Na4 O88 P2 W22
Calculated formula	C60 H48 Cu7.998 N12 Na4 O88 P2 W22.002
Title of publication	Hybrid Inorganic−Metalorganic Compounds Containing Copper(II)-Monosubstituted Keggin Polyanions and Polymeric Copper(I) Complexes.
Authors of publication	San Felices, Leire; Vitoria, Pablo; Gutiérrez-Zorrilla, Juan M.; Lezama, Luis; Reinoso, Santiago
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	19
Pages of publication	7748 - 7757
a	21.253 ± 0.002 Å
b	21.792 ± 0.001 Å
c	27.105 ± 0.001 Å
α	90°
β	101.79 ± 0.006°
γ	90°
Cell volume	12288.7 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.2097
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	0.807
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179430 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/27.	4332734.cif
98512	2014-01-30	cif/ Adding structures of 4332732, 4332733, 4332734 via cif-deposit CGI script.	4332734.cif