Crystallography Open Database

Information card for entry 7702315

Preview

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
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7702315.cif
287753	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