Crystallography Open Database

Information card for entry 7025156

Preview

Coordinates	7025156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H76 Cu2 K2 N4 O8 P4 S8
Calculated formula	C52 H76 Cu2 K2 N4 O8 P4 S8
Title of publication	Copper(I) complexes with N-(diisopropoxythiophosphoryl)thiobenzamide PhC(S)NHP(S)(OiPr)2.
Authors of publication	Babashkina, Maria G.; Safin, Damir A.; Fayon, Franck; Rakhmatullin, Aydar I.; Sokolov, Felix D.; Klein, Axel; Krivolapov, Dmitriy B.; Pape, Tania; Hahn, F. Ekkehardt; Kozlowski, Henryk
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	35
Pages of publication	8261 - 8268
a	49.35 ± 0.005 Å
b	18.9378 ± 0.0017 Å
c	30.529 ± 0.003 Å
α	90°
β	95.032 ± 0.001°
γ	90°
Cell volume	28422 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.1593
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	0.792
Diffraction radiation probe	x-ray
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
179956 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/51.	7025156.cif
92865	2014-01-12	cif/ Adding structures of 7025155, 7025156, 7025157 via cif-deposit CGI script.	7025156.cif