Crystallography Open Database

Information card for entry 7106884

Preview

Coordinates	7106884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.5 H36 B0.5 Cl0.5 F2 I N2 Ni P2
Calculated formula	C37.5 H32 B0.5 Cl0.5 F2 I N2 Ni P2
Title of publication	Synthesis of complexes bearing NH,NMe-substituted NHCs by oxidative addition of 2-halogenato-N-methylbenzimidazoles to Ni0+
Authors of publication	Tim Kosterke; Tania Pape; F. Ekkehardt Hahn
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	10773
a	9.5503 ± 0.0003 Å
b	10.1764 ± 0.0003 Å
c	20.2212 ± 0.0006 Å
α	84.721 ± 0.001°
β	81.817 ± 0.001°
γ	69.262 ± 0.001°
Cell volume	1817.37 ± 0.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1739
Weighted residual factors for all reflections included in the refinement	0.1899
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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