Crystallography Open Database

Information card for entry 7706252

Preview

Coordinates	7706252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127.5 H120 Cl7 Co4 F12 N20 O11 Sb2
Calculated formula	C127.41 H119.82 Cl6.82 Co4 F11.91 N20 O11 Sb2
Title of publication	Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study.
Authors of publication	Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	44
Pages of publication	15718 - 15730
a	14.7291 ± 0.0003 Å
b	17.3069 ± 0.0005 Å
c	28.5952 ± 0.0005 Å
α	94.357 ± 0.002°
β	98.039 ± 0.002°
γ	115.043 ± 0.002°
Cell volume	6464.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1098
Residual factor for significantly intense reflections	0.0825
Weighted residual factors for significantly intense reflections	0.1966
Weighted residual factors for all reflections included in the refinement	0.2129
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
260509 (current)	2021-01-05	cif/ Adding structures of 7706249, 7706250, 7706251, 7706252 via cif-deposit CGI script.	7706252.cif