Crystallography Open Database

Information card for entry 1550214

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Coordinates	1550214.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	holma07
Chemical name	bis(diketiminate-cobalt(II))(mu-oxo)
Formula	C70 H106 Co2 N4 O
Calculated formula	C70 H106 Co2 N4 O
Title of publication	Reduction of CO2 by a masked two-coordinate cobalt(i) complex and characterization of a proposed oxodicobalt(ii) intermediate
Authors of publication	Roy, Lisa; Al-Afyouni, Malik H.; DeRosha, Daniel E.; Mondal, Bhaskar; DiMucci, Ida M.; Lancaster, Kyle M.; Shearer, Jason; Bill, Eckhard; Brennessel, William W.; Neese, Frank; Ye, Shengfa; Holland, Patrick L.
Journal of publication	Chemical Science
Year of publication	2019
a	13.4757 ± 0.0015 Å
b	21.712 ± 0.002 Å
c	25.061 ± 0.003 Å
α	95.195 ± 0.003°
β	102.214 ± 0.002°
γ	97.097 ± 0.003°
Cell volume	7059.9 ± 1.3 Å³
Cell temperature	100 ± 0.5 K
Ambient diffraction temperature	100 ± 0.5 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1348
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.1714
Weighted residual factors for all reflections included in the refinement	0.196
Goodness-of-fit parameter for all reflections included in the refinement	0.918
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
211874 (current)	2018-11-10	cif/ Adding structures of 1550214, 1550215 via cif-deposit CGI script.	1550214.cif