Crystallography Open Database

Information card for entry 4346385

Preview

Coordinates	4346385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H70 Br4 Cl5 Co2 N7 O8
Calculated formula	C66 H70 Br4 Cl5 Co2 N7 O8
SMILES	Brc1cc[n]2[Co]345(Oc6c(cc(cc6C(C)(C)C)C(C)(C)C)C=[N]4c4c([N]65[Co]57(Oc8c(cc(cc8C(C)(C)C)C(C)(C)C)C=[N]5c5c6ccc(c5)C)(OO3)[n]3ccc(Br)cc3c3[n]7ccc(Br)c3)ccc(c4)C)[n]3c(c2c1)cc(Br)cc3.Cl(=O)(=O)(=O)[O-].ClCCl.ClCCl
Title of publication	Bimetallic Complexes Supported by a Redox-Active Ligand with Fused Pincer-Type Coordination Sites.
Authors of publication	Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	17
Pages of publication	8744 - 8754
a	13.1787 ± 0.0003 Å
b	13.8609 ± 0.0003 Å
c	22.2351 ± 0.0003 Å
α	81.9458 ± 0.0015°
β	89.9831 ± 0.0016°
γ	71.562 ± 0.002°
Cell volume	3810.96 ± 0.14 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.209
Weighted residual factors for all reflections included in the refinement	0.2197
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
231751 (current)	2019-11-23	cif/ Adding structures of 4346379, 4346380, 4346381, 4346382, 4346383, 4346384, 4346385 via cif-deposit CGI script.	4346385.cif