Crystallography Open Database

Information card for entry 4089709

Preview

Coordinates	4089709.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	holkd06
Formula	C80 H132 Co2 F4 N4 O2 Sn
Calculated formula	C80 H132 Co2 F4 N4 O2 Sn
SMILES	[Co]12(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)[F][Sn]1([F]2)([F][Co]2(N(C(=CC(=[N]2c2c(cccc2C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c2c(cccc2C(C)C)C(C)C)[F]1)(C)C.CCOCC.CCOCC
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	12.4264 ± 0.0014 Å
b	16.0026 ± 0.0018 Å
c	21.112 ± 0.002 Å
α	100.573 ± 0.002°
β	91.507 ± 0.002°
γ	102.187 ± 0.002°
Cell volume	4024.7 ± 0.7 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	4089709.cif