Crystallography Open Database

Information card for entry 4079099

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Coordinates	4079099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H68 N2 Ni O5 P2
Calculated formula	C81 H62 N2 Ni O5 P2
Title of publication	“Chiral-at-Metal” Hemilabile Nickel Complexes with a Latent d10-ML2Configuration: Receiving Substrates with Open Arms
Authors of publication	Linden, Anthony; Llovera, Ligia; Herrera, Julio; Dorta, Reto; Agrifoglio, Giuseppe; Dorta, Romano
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	17
Pages of publication	6162
a	12.547 ± 0.0003 Å
b	22.4042 ± 0.0005 Å
c	25.2593 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7100.5 ± 0.3 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1407
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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