Crystallography Open Database

Information card for entry 8106809

Preview

Coordinates	8106809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H45 Cl N4 O Pd
Calculated formula	C38 H45 Cl N4 O Pd
Title of publication	Crystal structure of [2-(4-methoxyphenyl)pyrazine-κ2 C,N) chlorido[N,N′-bis-(2,6-diisopropyl-phenyl)imidazol-2-ylidene-κC)] palladium(II), C38H45ClN4OPd
Authors of publication	Wang, Xin-Ling; Li, Hong-Mei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	1
Pages of publication	145 - 147
a	30.1968 ± 0.0008 Å
b	30.1968 ± 0.0008 Å
c	11.4611 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	9050.6 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	6
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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