Crystallography Open Database

Information card for entry 1553412

Preview

Coordinates	1553412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H47 Cl N2 Pd
Calculated formula	C47 H47 Cl N2 Pd
SMILES	[Pd]1([N](c2c(cc(cc2C(c2ccccc2)c2ccccc2)C)C)=C(C(=[N]1c1c(C(c2ccccc2)c2ccccc2)cc(C)cc1C)C)C)(Cl)C
Title of publication	Unsymmetrical α-diimine palladium catalysts and their properties in olefin (co)polymerization
Authors of publication	Sui, Xuelin; Hong, Changwen; Pang, Wenmin; Chen, Changle
Journal of publication	Materials Chemistry Frontiers
Year of publication	2017
Journal volume	1
Journal issue	5
Pages of publication	967
a	13.1491 ± 0.0006 Å
b	19.2193 ± 0.001 Å
c	19.3227 ± 0.0008 Å
α	105.127 ± 0.004°
β	109.315 ± 0.004°
γ	96.896 ± 0.004°
Cell volume	4333 ± 0.4 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1046
Residual factor for significantly intense reflections	0.0893
Weighted residual factors for significantly intense reflections	0.2273
Weighted residual factors for all reflections included in the refinement	0.238
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
234964 (current)	2019-11-23	cif/ Adding structures of 1553410, 1553411, 1553412 via cif-deposit CGI script.	1553412.cif