Crystallography Open Database

Information card for entry 1553411

Preview

Coordinates	1553411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H49 Cl3 N2 Pd
Calculated formula	C55 H47 Cl N2 Pd
SMILES	[Pd]1([N](=C2C(=[N]1c1c(C(c3ccccc3)c3ccccc3)cc(cc1C)C)c1c3c2cccc3ccc1)c1c(C(c2ccccc2)c2ccccc2)cc(cc1C)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	10.7748 ± 0.0004 Å
b	24.3601 ± 0.0008 Å
c	18.0013 ± 0.0008 Å
α	90°
β	95.951 ± 0.004°
γ	90°
Cell volume	4699.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1581
Residual factor for significantly intense reflections	0.1192
Weighted residual factors for significantly intense reflections	0.3576
Weighted residual factors for all reflections included in the refinement	0.3835
Goodness-of-fit parameter for all reflections included in the refinement	1.976
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
234964 (current)	2019-11-23	cif/ Adding structures of 1553410, 1553411, 1553412 via cif-deposit CGI script.	1553411.cif