Crystallography Open Database

Information card for entry 4119244

4119243 << 4119244 >> 4119245

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Coordinates	4119244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 Cl2 Ni P2
Calculated formula	C36 H54 Cl2 Ni P2
Title of publication	Simplifying Nickel(0) Catalysis: An Air-Stable Nickel Precatalyst for the Internally Selective Benzylation of Terminal Alkenes
Authors of publication	Eric A. Standley; Timothy F. Jamison
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	1585 - 1592
a	9.4047 ± 0.0005 Å
b	10.1216 ± 0.0006 Å
c	10.5171 ± 0.0006 Å
α	112.703 ± 0.001°
β	107.674 ± 0.001°
γ	91.378 ± 0.001°
Cell volume	868.53 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0302
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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