Crystallography Open Database

Information card for entry 8106200

Preview

Coordinates	8106200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H82 Cu2 N2 P2 S4
Calculated formula	C46 H82 Cu2 N2 P2 S4
SMILES	[Cu]12([S](C(=[S]1)N1CCCC1)[Cu]1([S]2C(=[S]1)N1CCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
Title of publication	Crystal structure of bis(μ 2-pyrrolidine-1-carbodithioato-κ 3 S,S′:S;κ 3 S:S:S′)-bis(tricyclohexylphosphane-P)-di-copper(I), C46H82Cu2N2P2S4
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	513 - 515
a	11.6189 ± 0.0002 Å
b	12.2846 ± 0.0002 Å
c	18.1744 ± 0.0002 Å
α	97.321 ± 0.001°
β	106.308 ± 0.001°
γ	99.312 ± 0.002°
Cell volume	2415.65 ± 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	0.0261
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279463 (current)	2022-11-22	cif/ Adding structures of 8106200 via cif-deposit CGI script.	8106200.cif