Crystallography Open Database

Information card for entry 4327361

Preview

Coordinates	4327361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H86 Cl2 Cu3 O2 P7 S2
Calculated formula	C84 H86 Cl2 Cu3 O2 P7 S2
SMILES	P1(=[S][Cu]2([P](c3ccccc3)(c3ccccc3)CC[P](c3ccccc3)(c3ccccc3)[Cu]34[P](c5ccccc5)(c5ccccc5)CC[P](c5ccccc5)(c5ccccc5)[Cu]([P](c5ccccc5)(c5ccccc5)CC[P]2(c2ccccc2)c2ccccc2)([Cl]3)[Cl]4)S1)(OC(C)C)OC(C)C
Title of publication	Versatility of Dithiophosphates in the Syntheses of Copper(I) Complexes with Bis(diphenylphosphino)alkanes: Abstraction of Chloride from Dichloromethane
Authors of publication	Ben-Jie Liaw; Tarlok S. Lobana; Ya-Wen Lin; Ju-Chun Wang; C. W. Liu
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	9921 - 9929
a	24.965 ± 0.003 Å
b	17.0583 ± 0.0018 Å
c	20.253 ± 0.002 Å
α	90°
β	95.351 ± 0.004°
γ	90°
Cell volume	8587.4 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.0763
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327361.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327361.cif
61125	2012-06-21	cif/ Adding structures of 4327361 via cif-deposit CGI script.	4327361.cif