Crystallography Open Database

Information card for entry 7118768

Preview

Coordinates	7118768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H23 Cl N O2 P Pd
Calculated formula	C28 H23 Cl N O2 P Pd
SMILES	[Pd]12([C@@H]([C@@H](/C=C/c3ccccc3)P(c3ccccc3)(c3ccccc3)=[O]2)C(=O)c2cccc[n]12)Cl
Title of publication	The synthesis and efficient one-pot catalytic "self-breeding" of asymmetrical NC(sp(3))E-hybridised pincer complexes.
Authors of publication	Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	22
Pages of publication	4211 - 4214
a	8.4079 ± 0.0004 Å
b	12.0255 ± 0.0006 Å
c	23.7756 ± 0.0012 Å
α	90°
β	90.682 ± 0.003°
γ	90°
Cell volume	2403.8 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
181526 (current)	2016-04-05	cif/ Updating files of 7118767, 7118768 Original log message: Adding full bibliography for 7118767--7118768.cif.	7118768.cif
176702	2016-02-18	cif/ Adding structures of 7118767, 7118768 via cif-deposit CGI script.	7118768.cif