Crystallography Open Database

Information card for entry 7702315

Preview

Coordinates	7702315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H18 Cl6 Co2 N6 Na2 O6
Calculated formula	C30 H18 Cl6 Co2 N6 Na2 O6
SMILES	c12[n](c(ccc2)Cl)[Co]23(O1)([O](c1cccc(Cl)n1)[Co]14(Oc5cccc(Cl)[n]51)([O]3c1cccc(Cl)n1)[n]1c(O4)cccc1Cl)[n]1c(cccc1Cl)O2.[Na+].[Na+]
Title of publication	Heterobimetallic nickel–sodium and cobalt–sodium complexes of pyridonate ligands
Authors of publication	Brechin, Euan K.; Gilby, Liam M.; Gould, Robert O.; Harris, Steven G.; Parsons, Simon; Winpenny, Richard E. P.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	16
Pages of publication	2657
a	7.2614 ± 0.0019 Å
b	11.316 ± 0.002 Å
c	12.105 ± 0.003 Å
α	112.204 ± 0.01°
β	93.119 ± 0.014°
γ	105.192 ± 0.013°
Cell volume	875.5 ± 0.4 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 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	0.109
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for all reflections	0.1196
Weighted residual factors for significantly intense reflections	0.1019
Goodness-of-fit parameter for all reflections	0.981
Goodness-of-fit parameter for significantly intense reflections	1.074
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
287753 (current)	2023-11-23	Fixing Z values and formulae	7702315.cif
243824	2019-11-28	cif/ Adding structures of 7702310, 7702311, 7702312, 7702313, 7702314, 7702315, 7702316 via cif-deposit CGI script.	7702315.cif