Crystallography Open Database

Information card for entry 4130796

Preview

Coordinates	4130796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H76 B N4 Ni O3
Calculated formula	C62 H76 B N4 Ni O3
Title of publication	Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.
Authors of publication	Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	39
Pages of publication	12928 - 12934
a	18.0244 ± 0.0006 Å
b	12.6029 ± 0.0004 Å
c	23.9084 ± 0.0008 Å
α	90°
β	98.41 ± 0.0016°
γ	90°
Cell volume	5372.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.097
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.166
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241161 (current)	2019-11-25	cif/ Adding structures of 4130793, 4130794, 4130795, 4130796, 4130797 via cif-deposit CGI script.	4130796.cif