Crystallography Open Database

Information card for entry 7118767

Preview

Coordinates	7118767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H23 Cl N O P Pd S
Calculated formula	C28 H23 Cl N O P Pd S
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	8.3737 ± 0.0003 Å
b	12.3461 ± 0.0004 Å
c	23.8575 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2466.45 ± 0.14 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.25
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7118767.cif
176702	2016-02-18	cif/ Adding structures of 7118767, 7118768 via cif-deposit CGI script.	7118767.cif