Crystallography Open Database

Information card for entry 1558361

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Coordinates	1558361.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[7,8-(Ethane-1',2'-dithiolato-S,S')-dicarba-nido-undecaborate] bis(triphenylphosphine)copper(I)
Formula	C40 H44 B9 Cu P2 S2
Calculated formula	C40 B9 Cu P2 S2
SMILES	[Cu]1([S]2CC[S]1[C]134[C]562[BH]278[BH]9%10%11[BH]152[BH]139[BH]23%10[BH]57%11[BH]3([BH]412)[BH]685)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and Crystal Structure of [7,8-(Ethane-1',2'-dithiolato-S,S')-dicarba-nido-undecaborate] bis(triphenylphosphine)copper(I)
Authors of publication	Kivekas, Raikko; Sillanpaa, Reijo; Teixidor, Francesc; Vinas, Clara; Sanchez, Eustaquio
Journal of publication	Acta Chemica Scandinavica
Year of publication	1994
Journal volume	48
Pages of publication	113 - 116
a	15.207 ± 0.003 Å
b	10.531 ± 0.003 Å
c	26.592 ± 0.006 Å
α	90°
β	99.29 ± 0.02°
γ	90°
Cell volume	4202.7 ± 1.8 Å³
Ambient diffraction temperature	295 K
Number of distinct elements	6
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	0.076
Weighted residual factors for significantly intense reflections	0.051
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
253271 (current)	2020-06-19	cif/ Adding structures of 1558361 via cif-deposit CGI script.	1558361.cif