Crystallography Open Database

Information card for entry 7714919

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Coordinates	7714919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H57 F6 N7 Ni
Calculated formula	C42 H41 F6 N7 Ni
Title of publication	A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.
Authors of publication	Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	6
Pages of publication	2749 - 2761
a	9.6617 ± 0.0005 Å
b	15.7074 ± 0.0008 Å
c	18.8918 ± 0.001 Å
α	67.512 ± 0.002°
β	75.835 ± 0.002°
γ	77.315 ± 0.002°
Cell volume	2542.9 ± 0.2 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 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	0.0846
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1951
Weighted residual factors for all reflections included in the refinement	0.2077
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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