Crystallography Open Database

Information card for entry 7119133

7119132 << 7119133 >> 7119134

Preview

Coordinates	7119133.cif

Structure parameters

Formula	C40 H32 Au2 Cl4 P2
Calculated formula	C40 H32 Au2 Cl4 P2
SMILES	[Au](Cl)[P](C(=C=C([P]([Au]Cl)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
Title of publication	Bis-phosphine allene ligand: coordination chemistry and preliminary applications in catalysis
Authors of publication	Avassaya Vanitcha; Cecilia Damelincourt; Geoffrey Gontard; Nicolas Vanthuyne; Virginie Mouries-Mansuy; Louis Fensterbank
Journal of publication	Chem.Commun.
Year of publication	2016
Journal volume	52
Pages of publication	6785
a	12.6409 ± 0.0003 Å
b	16.973 ± 0.0004 Å
c	18.0808 ± 0.0005 Å
α	90°
β	104.661 ± 0.001°
γ	90°
Cell volume	3753 ± 0.16 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	5
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	0.0248
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.0462
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
185774 (current)	2016-08-12	cif/ Adding structures of 7119130, 7119131, 7119132, 7119133, 7119134, 7119135 via cif-deposit CGI script.	7119133.cif