Crystallography Open Database

Information card for entry 7702314

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Structure parameters

Formula	C30 H20 Cl6 Co2 N6 Na2 O7
Calculated formula	C30 H20 Cl6 Co2 N6 Na2 O7
SMILES	[O]1([Co]23([O](c4nc(Cl)ccc4)[Co]451(Oc1cccc(Cl)[n]41)[n]1c(O5)cccc1Cl)([n]1c(cccc1O2)Cl)[n]1c(cccc1Cl)O3)c1cccc(Cl)n1.[Na+].O.[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	21.59 ± 0.013 Å
b	11.916 ± 0.009 Å
c	13.879 ± 0.01 Å
α	90°
β	91.37 ± 0.06°
γ	90°
Cell volume	3570 ± 4 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1174
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for all reflections	0.2167
Weighted residual factors for significantly intense reflections	0.1735
Goodness-of-fit parameter for all reflections	1.127
Goodness-of-fit parameter for significantly intense reflections	1.157
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
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.	7702314.cif
243824	2019-11-28	cif/ Adding structures of 7702310, 7702311, 7702312, 7702313, 7702314, 7702315, 7702316 via cif-deposit CGI script.	7702314.cif