Crystallography Open Database

Information card for entry 7101981

7101980 << 7101981 >> 7101982

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Coordinates	7101981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 Cl N2 Ni P2
Calculated formula	C44 H52 Cl N2 Ni P2
SMILES	[Ni]12(Cl)[P](c3ccccc3)(c3ccccc3)c3c([N]1=C(c1ccccc1)CP(=[N]2c1c(cccc1C(C)C)C(C)C)(C(C)C)C(C)C)cccc3
Title of publication	Amido pincer complex of nickel-catalysed Kumada cross-coupling reactions
Authors of publication	Wang, Zhong-Xia; Wang, Li
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2007
Journal issue	23
Pages of publication	2423 - 2425
a	9.7247 ± 0.0004 Å
b	12.857 ± 0.0005 Å
c	17.4756 ± 0.0007 Å
α	79.579 ± 0.013°
β	79.548 ± 0.014°
γ	77.064 ± 0.011°
Cell volume	2071.64 ± 0.2 Å³
Cell temperature	294.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.164
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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