Crystallography Open Database

Information card for entry 1513764

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Coordinates	1513764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C119 H90 Cl18 N8 Pd4
Calculated formula	C119 H90 Cl18 N8 Pd4
Title of publication	Substituent effects and activation mechanism of norbornene polymerization catalyzed by three-dimensional geometry α-diimine palladium complexes
Authors of publication	Huo, Ping; Liu, Wanyun; He, Xiaohui; Wei, Zhenhong; Chen, Yiwang
Journal of publication	Polymer Chemistry
Year of publication	2014
Journal volume	5
Journal issue	4
Pages of publication	1210
a	9.4659 ± 0.0009 Å
b	18.1651 ± 0.0017 Å
c	18.9183 ± 0.0017 Å
α	68.501 ± 0.001°
β	75.588 ± 0.001°
γ	84.629 ± 0.001°
Cell volume	2931.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0948
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1963
Weighted residual factors for all reflections included in the refinement	0.2247
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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