Crystallography Open Database

Information card for entry 4089711

Preview

Coordinates	4089711.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	holkd25
Formula	C40 H58 Co N3
Calculated formula	C40 H58 Co N3
SMILES	[Co]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)[n]1ccccc1
Title of publication	Synthesis, Properties, and Reactivity of Diketiminate-Supported Cobalt Fluoride Complexes
Authors of publication	Ding, Keying; Dugan, Thomas R.; Brennessel, William W.; Bill, Eckhard; Holland, Patrick L.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	23
Pages of publication	6650
a	9.4374 ± 0.0015 Å
b	17.387 ± 0.003 Å
c	21.78 ± 0.003 Å
α	90°
β	94.162 ± 0.003°
γ	90°
Cell volume	3564.4 ± 1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
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	0.1121
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243726 (current)	2019-11-26	cif/ Adding structures of 4089709, 4089710, 4089711 via cif-deposit CGI script.	4089711.cif