Crystallography Open Database

Information card for entry 4086959

Preview

Coordinates	4086959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H97 Br3 N11 Ni3 O2
Calculated formula	C84.425 H91 Br3 N9 Ni3 O2.5
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	15.8492 ± 0.0006 Å
b	16.5968 ± 0.0007 Å
c	18.1661 ± 0.0007 Å
α	109.771 ± 0.002°
β	107.782 ± 0.002°
γ	96.691 ± 0.002°
Cell volume	4151.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1283
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4086959.cif
191195	2017-02-02	cif/ Adding structures of 4086958, 4086959, 4086960, 4086961, 4086962, 4086963, 4086964 via cif-deposit CGI script.	4086959.cif