Crystallography Open Database

Information card for entry 7706251

Preview

Coordinates	7706251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H36 Cl6 Co2 F6 N10 O4 Sb
Calculated formula	C53 H36 Cl6 Co2 F6 N10 O4 Sb
SMILES	[Sb](F)(F)(F)([F-])(F)F.[Co]12345[n]6c(C(=O)N1c1c7[n]2cccc7ccc1)cccc6C(=O)N1[Co]2(N(C(=O)c6[n]3c(C(=O)N4c3cccc4c3[n]5ccc4)ccc6)c3c4[n]2cccc4ccc3)[n]2c3c1cccc3ccc2.ClCCl.ClCCl.ClCCl
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	14.565 ± 0.0005 Å
b	13.4841 ± 0.0005 Å
c	27.7621 ± 0.0009 Å
α	90°
β	103.074 ± 0.003°
γ	90°
Cell volume	5311 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0457
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	7706251.cif