Crystallography Open Database

Information card for entry 7118450

Preview

Coordinates	7118450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H56 Cl6 F Ga N2 P2
Calculated formula	C45 H56 Cl6 F Ga N2 P2
SMILES	c1(n(c(c([n+]1c1c(cccc1C(C)C)C(C)C)Cl)Cl)c1c(cccc1C(C)C)C(C)C)/P=P/c1c(cccc1C(C)C)C(C)C.c1(ccccc1)F.Cl[Ga](Cl)(Cl)[Cl-]
Title of publication	[((Cl)Im(Dipp))P[double bond, length as m-dash]P(Dipp)][GaCl4]: a polarized, cationic diphosphene.
Authors of publication	Schwedtmann, Kai; Holthausen, Michael H.; Sala, Chris H.; Hennersdorf, Felix; Fröhlich, Roland; Weigand, Jan J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	7
Pages of publication	1409 - 1412
a	10.7484 ± 0.0006 Å
b	13.6179 ± 0.0007 Å
c	33.6481 ± 0.0018 Å
α	90°
β	94.25 ± 0.001°
γ	90°
Cell volume	4911.6 ± 0.5 Å³
Cell temperature	153 ± 1 K
Ambient diffraction temperature	153 ± 1 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 all reflections	0.0835
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1762
Weighted residual factors for all reflections included in the refinement	0.1849
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
174469 (current)	2016-01-15	cif/ Adding structures of 7118449, 7118450, 7118451, 7118452 via cif-deposit CGI script.	7118450.cif