Crystallography Open Database

Information card for entry 4130981

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Coordinates	4130981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H41 N5 Ni O5
Calculated formula	C31 H41 N5 Ni O5
Title of publication	Tuning the Reactivity of Terminal Nickel(III)-Oxygen Adducts for C-H Bond Activation.
Authors of publication	Pirovano, Paolo; Farquhar, Erik R.; Swart, Marcel; McDonald, Aidan R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	43
Pages of publication	14362 - 14370
a	17.8415 ± 0.0009 Å
b	11.2027 ± 0.0006 Å
c	17.1224 ± 0.0008 Å
α	90°
β	109.147 ± 0.001°
γ	90°
Cell volume	3233 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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