Crystallography Open Database

Information card for entry 7222440

Preview

Coordinates	7222440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H43 F12 N6 O3 P2 Pd
Calculated formula	C51 H43 F12 N6 O3 P2 Pd
Title of publication	Synthesis, Structure and Catalysis of NHC-Pd(II) Complex Based on Tetradentate Mixed Ligand
Authors of publication	liu, qingxiang; Cai, Kang-Qing; Zhao, Zhi-Xiang
Journal of publication	RSC Adv.
Year of publication	2015
a	12.5269 ± 0.001 Å
b	14.4882 ± 0.0012 Å
c	15.3304 ± 0.0012 Å
α	98.553 ± 0.001°
β	95.074 ± 0.001°
γ	115.075 ± 0.001°
Cell volume	2456.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0469
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222440.cif
160446	2015-10-06	cif/ Adding structures of 7222440 via cif-deposit CGI script.	7222440.cif