Crystallography Open Database

Information card for entry 4080784

Preview

Coordinates	4080784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H74 N8 Ni2 O4
Calculated formula	C73.5 H57 N8 Ni2 O4
Title of publication	Steric and Electronic Effects in the Formation and Carbon Disulfide Reactivity of Dinuclear Nickel Complexes Supported by Bis(iminopyridine) Ligands
Authors of publication	Bheemaraju, Amarnath; Beattie, Jeffrey W.; Tabasan, Erwyn G.; Martin, Philip D.; Lord, Richard L.; Groysman, Stanislav
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	10
Pages of publication	2952
a	20.717 ± 0.002 Å
b	13.0872 ± 0.0014 Å
c	22.238 ± 0.002 Å
α	90°
β	91.097 ± 0.004°
γ	90°
Cell volume	6028.2 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2039
Residual factor for significantly intense reflections	0.0982
Weighted residual factors for significantly intense reflections	0.1988
Weighted residual factors for all reflections included in the refinement	0.2646
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
178696 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/07.	4080784.cif
87284	2013-07-14	cif/ Adding structures of 4080783, 4080784, 4080785, 4080786, 4080787, 4080788 via cif-deposit CGI script.	4080784.cif