Crystallography Open Database

Information card for entry 1570984

Preview

Coordinates	1570984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H83 Co K O8 P3 S2
Calculated formula	C67 H83 Co K O8 P3 S2
Title of publication	Electrocatalytic CO<sub>2</sub> reduction to formate by a cobalt phosphino-thiolate complex.
Authors of publication	Intrator, Jeremy A.; Velazquez, David A.; Fan, Sicheng; Mastrobattista, Ellie; Yu, Christine; Marinescu, Smaranda C.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	17
Pages of publication	6385 - 6396
a	10.1125 ± 0.0001 Å
b	18.592 ± 0.0002 Å
c	36.962 ± 0.0005 Å
α	90°
β	89.735 ± 0.001°
γ	90°
Cell volume	6949.21 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1843
Weighted residual factors for all reflections included in the refinement	0.1954
Goodness-of-fit parameter for all reflections included in the refinement	0.867
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291555 (current)	2024-05-05	cif/ Updating files of 1570984 Original log message: Adding full bibliography for 1570984.cif.	1570984.cif
289794	2024-02-13	cif/ Adding structures of 1570984 via cif-deposit CGI script.	1570984.cif