Crystallography Open Database

Information card for entry 4087699

Preview

Coordinates	4087699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H46 F6 O4 P2 Pd Si
Calculated formula	C24 H46 F6 O4 P2 Pd Si
SMILES	[Pd]1([P](C(C)(C)C)(C[Si](C[P]1(C(C)(C)C)C(C)(C)C)(C)C)C(C)(C)C)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
Title of publication	Palladium Complexes with Bulky Diphosphine Ligands as Highly Selective Catalysts for the Synthesis of (Bio-) Adipic Acid from Pentenoic Acid Mixtures.
Authors of publication	Low, Choon Heng; Nobbs, James D.; van Meurs, Martin; Stubbs, Ludger P.; Drent, Eite; Aitipamula, Srinivasulu; Pung, Michelle H. L.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	17
Pages of publication	4281
a	17.232 ± 0.003 Å
b	11.631 ± 0.002 Å
c	16.135 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3233.9 ± 1 Å³
Cell temperature	110.15 K
Ambient diffraction temperature	110.15 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
236927 (current)	2019-11-24	cif/ Adding structures of 4087697, 4087698, 4087699, 4087700 via cif-deposit CGI script.	4087699.cif