Crystallography Open Database

Information card for entry 4075449

Preview

Coordinates	4075449.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[NiCl(PCP-Ph)]+0.5C6H6
Formula	C33 H28 Cl N2 Ni P2
Calculated formula	C33 H28 Cl N2 Ni P2
Title of publication	A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes
Authors of publication	Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	16
Pages of publication	3817
a	9.3016 ± 0.0005 Å
b	21.458 ± 0.0012 Å
c	15.0813 ± 0.0008 Å
α	90°
β	99.619 ± 0.001°
γ	90°
Cell volume	2967.8 ± 0.3 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 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	0.1026
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	0.759
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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