Crystallography Open Database

Information card for entry 7702316

Preview

Coordinates	7702316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H45 Co2 N7 Na2 O8
Calculated formula	C42 H45 Co2 N7 Na2 O8
SMILES	Cc1[n]2[Co]34(Oc2ccc1)([O]([Co]12(Oc5[n]1c(C)ccc5)(Oc1[n]2c(C)ccc1)[O]3c1nc(C)ccc1)c1nc(C)ccc1)[n]1c(cccc1C)O4.O=c1[nH]c(C)ccc1.[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	11.618 ± 0.005 Å
b	12.931 ± 0.005 Å
c	17.54 ± 0.006 Å
α	87.86 ± 0.1°
β	71.45 ± 0.1°
γ	64.36 ± 0.1°
Cell volume	2237 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1194
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for all reflections	0.1453
Weighted residual factors for significantly intense reflections	0.1122
Goodness-of-fit parameter for all reflections	1.012
Goodness-of-fit parameter for significantly intense reflections	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
243824 (current)	2019-11-28	cif/ Adding structures of 7702310, 7702311, 7702312, 7702313, 7702314, 7702315, 7702316 via cif-deposit CGI script.	7702316.cif