Crystallography Open Database

Information card for entry 7002102

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Coordinates	7002102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H34 N8 Ni
Calculated formula	C44 H34 N8 Ni
Title of publication	N-donor functionalized N-heterocyclic carbene nickel(II) complexes in the Kumada coupling
Authors of publication	Berding, Joris; van Dijkman, Thomas F.; Lutz, Martin; Spek, Anthony L.; Bouwman, Elisabeth
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	35
Pages of publication	6948
a	12.5841 ± 0.0001 Å
b	13.4533 ± 0.0002 Å
c	15.731 ± 0.0002 Å
α	109.776 ± 0.0008°
β	103.235 ± 0.0006°
γ	95.7404 ± 0.0005°
Cell volume	2393.36 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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