Crystallography Open Database

Information card for entry 4347997

Preview

Coordinates	4347997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 Cl N P2 Pd
Calculated formula	C24 H36 Cl N P2 Pd
SMILES	[Pd]12(Cl)[P](C(C)C)(C(C)C)c3ccccc3N2c2ccccc2[P]1(C(C)C)C(C)C
Title of publication	Catalytic Sonogashira couplings mediated by an amido pincer complex of palladium
Authors of publication	Hung, Yu-Ting; Chen, Ming-Tsz; Huang, Mei-Hui; Kao, Ting-Yin; Liu, Yu-Sheng; Liang, Lan-Chang
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2014
Journal volume	1
Journal issue	5
Pages of publication	405
a	12.2739 ± 0.0003 Å
b	10.0375 ± 0.0002 Å
c	20.7695 ± 0.0006 Å
α	90°
β	96.599 ± 0.001°
γ	90°
Cell volume	2541.83 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
232628 (current)	2019-11-23	cif/ Adding structures of 4347997 via cif-deposit CGI script.	4347997.cif