Crystallography Open Database

Information card for entry 4088689

Preview

Coordinates	4088689.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jonlm38
Chemical name	(dippe)Pd(Me)(CNBPh3)
Formula	C34 H50 B N P2 Pd
Calculated formula	C34 H50 B N P2 Pd
SMILES	[Pd]1([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(C#[N][B](c1ccccc1)(c1ccccc1)c1ccccc1)C
Title of publication	C‒CN Bond Cleavage Using Palladium Supported by a Dippe Ligand
Authors of publication	Munjanja, Lloyd; Torres-López, Coralys; Brennessel, William W.; Jones, William D.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	11
Pages of publication	2010
a	16.9464 ± 0.0015 Å
b	13.0266 ± 0.0011 Å
c	30.638 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6763.5 ± 1.1 Å³
Cell temperature	100 ± 0.5 K
Ambient diffraction temperature	100 ± 0.5 K
Number of distinct elements	6
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	0.0848
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
237767 (current)	2019-11-24	cif/ Adding structures of 4088687, 4088688, 4088689, 4088690 via cif-deposit CGI script.	4088689.cif