Crystallography Open Database

Information card for entry 4086963

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Coordinates	4086963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70.5 H78 N6 Ni2
Calculated formula	C70.5 H75 N6 Ni2
Title of publication	Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States
Authors of publication	Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	3
Pages of publication	582
a	19.615 ± 0.003 Å
b	27.998 ± 0.004 Å
c	11.7119 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	6432 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1628
Residual factor for significantly intense reflections	0.0977
Weighted residual factors for significantly intense reflections	0.2272
Weighted residual factors for all reflections included in the refinement	0.2586
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
193624 (current)	2017-03-04	cif/ Updating files of 4086958, 4086959, 4086960, 4086961, 4086962, 4086963, 4086964 Original log message: Adding full bibliography for 4086958--4086964.cif.	4086963.cif
191195	2017-02-02	cif/ Adding structures of 4086958, 4086959, 4086960, 4086961, 4086962, 4086963, 4086964 via cif-deposit CGI script.	4086963.cif