Crystallography Open Database

Information card for entry 4077615

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Structure parameters

Formula	C21 H59.25 Cu P3 Se Si
Calculated formula	C21 H59.25 Cu P3 Se Si
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	16.7522 ± 0.0007 Å
b	11.6163 ± 0.0003 Å
c	17.4349 ± 0.0007 Å
α	90°
β	117.278 ± 0.0014°
γ	90°
Cell volume	3015.5 ± 0.2 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	0.0921
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	0.943
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4077615.cif
178665	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.	4077615.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077615.cif
54644	2012-04-28	cif/ Adding structures of 4077614, 4077615, 4077616, 4077617, 4077618, 4077619 via cif-deposit CGI script.	4077615.cif