Crystallography Open Database

Information card for entry 8106198

Preview

Coordinates	8106198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H86 Cu2 N2 P2 S4
Calculated formula	C46 H86 Cu2 N2 P2 S4
Title of publication	Crystal structure of bis(μ 2-diethyldithiocarbamato-κ 3 S,S′:S′)-bis(tricyclohexylphosphane-κP)dicopper(I), C46H86Cu2N2P2S4
Authors of publication	Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	3
Pages of publication	507 - 509
a	9.9626 ± 0.0003 Å
b	11.0489 ± 0.0003 Å
c	12.3604 ± 0.0003 Å
α	106.205 ± 0.003°
β	99.165 ± 0.002°
γ	100.306 ± 0.003°
Cell volume	1253.53 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0256
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
279461 (current)	2022-11-22	cif/ Adding structures of 8106198 via cif-deposit CGI script.	8106198.cif