Crystallography Open Database

Information card for entry 7101983

7101982 << 7101983 >> 7101984

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Coordinates	7101983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H53 N3 Ni P2
Calculated formula	C48 H53 N3 Ni P2
SMILES	[Ni]12([N](=P(c3ccccc3)(c3ccccc3)c3c(N1C(=CP(=[N]2c1ccccc1)(C(C)C)C(C)C)c1ccccc1)cccc3)c1ccccc1)CCCC
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	9.949 ± 0.0016 Å
b	10.3142 ± 0.0017 Å
c	20.637 ± 0.004 Å
α	81.768 ± 0.005°
β	87.185 ± 0.007°
γ	81.643 ± 0.006°
Cell volume	2072.8 ± 0.6 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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