Crystallography Open Database

Information card for entry 1557520

Preview

Coordinates	1557520.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[CuCl{1,2-[P(OEt)2)2-1,2-C2Bi0H10}(PPh3)]
Formula	C28 H45 B10 Cl Cu O4 P3
Calculated formula	C28 B10 Cl Cu O4 P3
SMILES	[Cu]1(Cl)([P](OCC)(OCC)[C]2345[C]678([P]1(OCC)OCC)[BH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Copper(I) Chloride Complexes of 1,2-Bis(disubstituted phosphino)-1,2-dicarba-closo-dodecaboranes and Crystal Structure of Chloro-[1,2-bis(diethoxyphosphino)-1,2-dicarba-closo- dodecaborane]triphenylphosphinecopper(I)
Authors of publication	Kivekas, Raikko; Sillanpaa, Reijo; Teixidor, Francesc; Vinas, Clara; Abad, M. Mar
Journal of publication	Acta Chemica Scandinavica
Year of publication	1996
Journal volume	50
Pages of publication	499 - 504
a	18.597 ± 0.003 Å
b	10.897 ± 0.006 Å
c	20.677 ± 0.005 Å
α	90°
β	112.91 ± 0.02°
γ	90°
Cell volume	3860 ± 2 Å³
Ambient diffraction temperature	296 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.06
Goodness-of-fit parameter for all reflections included in the refinement	1.82
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
249122 (current)	2020-03-06	cif/ Adding structures of 1557520 via cif-deposit CGI script.	1557520.cif