Crystallography Open Database

Information card for entry 4077614

Preview

Coordinates	4077614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H54 Cu P3 S Si
Calculated formula	C21 H54 Cu P3 S Si
SMILES	[Cu](S[Si](C)(C)C)([P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC
Title of publication	Synthesis and Characterization of Tris(trialkylphosphine)copper(I)trimethylsilylchalcogenolates
Authors of publication	Tran, Diem T. T.; Corrigan, John F.
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	24
Pages of publication	5202
a	11.9276 ± 0.0004 Å
b	13.9813 ± 0.0005 Å
c	18.2051 ± 0.0005 Å
α	90°
β	97.57 ± 0.0019°
γ	90°
Cell volume	3009.48 ± 0.17 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
178665 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/76.	4077614.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077614.cif
54644	2012-04-28	cif/ Adding structures of 4077614, 4077615, 4077616, 4077617, 4077618, 4077619 via cif-deposit CGI script.	4077614.cif