Crystallography Open Database

Information card for entry 7119130

7119129 << 7119130 >> 7119131

Preview

Coordinates	7119130.cif

Structure parameters

Formula	C40 H32 Cl4 P2 Pd
Calculated formula	C40 H32 Cl4 P2 Pd
SMILES	[Pd]1(Cl)(Cl)[P](C(=C=C([P]1(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	9.8924 ± 0.0002 Å
b	19.0871 ± 0.0005 Å
c	19.8273 ± 0.0004 Å
α	90°
β	100.618 ± 0.001°
γ	90°
Cell volume	3679.63 ± 0.14 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7119130.cif