Crystallography Open Database

Information card for entry 7028873

Preview

Coordinates	7028873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H33 Cl N2 P2 Pd
Calculated formula	C24 H33 Cl N2 P2 Pd
SMILES	c12nccn1[P](C)(c1ccccc1)[Pd](c1ccccc1)([P]2(C(C)(C)C)C(C)(C)C)Cl
Title of publication	Non-symmetric diphosphines based on the imidazole scaffold: an unusual group interchange involving Pd-CH3 and (imidazole)P-Ph cleavage.
Authors of publication	Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	1957 - 1960
a	25.9649 ± 0.0006 Å
b	25.9649 ± 0.0006 Å
c	20.5993 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	12027 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0872
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179994 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/88.	7028873.cif
105449	2014-03-12	cif/ Adding structures of 7028868, 7028869, 7028870, 7028871, 7028872, 7028873 via cif-deposit CGI script.	7028873.cif