Crystallography Open Database

Information card for entry 1550215

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Coordinates	1550215.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	holma06
Chemical name	bis(diketiminate-cobalt(II))(mu-carbonato)
Formula	C71 H106 Co2 N4 O3
Calculated formula	C71 H106 Co2 N4 O3
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	20.919 ± 0.002 Å
b	28.234 ± 0.003 Å
c	24.42 ± 0.003 Å
α	90°
β	114.237 ± 0.002°
γ	90°
Cell volume	13152 ± 2 Å³
Cell temperature	100 ± 0.5 K
Ambient diffraction temperature	100 ± 0.5 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1182
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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.	1550215.cif