Crystallography Open Database

Information card for entry 7101982

7101981 << 7101982 >> 7101983

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Coordinates	7101982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H51 Cl N2 Ni P2
Calculated formula	C44 H51 Cl N2 Ni P2
SMILES	[Ni]12([P](C=C(N2c2c(P(=[N]1c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)cccc2)c1ccccc1)(C(C)C)C(C)C)Cl
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	11.861 ± 0.002 Å
b	12.509 ± 0.003 Å
c	14.959 ± 0.003 Å
α	84.58 ± 0.03°
β	77.35 ± 0.03°
γ	64.29 ± 0.03°
Cell volume	1951.3 ± 0.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 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 all reflections	0.0418
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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