Crystallography Open Database

Information card for entry 4347155

Preview

Coordinates	4347155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H68 Cu P3 S Si
Calculated formula	C57 H68 Cu P3 S Si
SMILES	[Cu]12(S[Si](C(C)C)(C(C)C)C(C)C)[P](CC(C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1.c1(ccccc1)C
Title of publication	Synthesis and Structures of [LCu(I)(SSi(i)Pr3)] (L = triphos, carbene) and Related Compounds.
Authors of publication	Ferrara, Skylar J.; Wang, Bo; Haas, Elaine; Wright LeBlanc, Karry; Mague, Joel T.; Donahue, James P.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	18
Pages of publication	9173 - 9177
a	14.5029 ± 0.001 Å
b	16.15 ± 0.0011 Å
c	22.0822 ± 0.0015 Å
α	90°
β	93.455 ± 0.001°
γ	90°
Cell volume	5162.7 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0391
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
232194 (current)	2019-11-23	cif/ Adding structures of 4347155, 4347156, 4347157, 4347158 via cif-deposit CGI script.	4347155.cif