Crystallography Open Database

Information card for entry 7702311

Preview

Coordinates	7702311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 Cl6 N10 Na2 Ni2 O7
Calculated formula	C38 H32 Cl6 N10 Na2 Ni2 O7
SMILES	[Ni]1234([n]5c(cccc5Cl)O1)[n]1c(cccc1Cl)[O]2[Na]1([N]#CC)([O]2[Ni]56([n]7c(cccc7Cl)O6)([n]6c(cccc6Cl)[O]5[Na]([O]4c4[n]3c(ccc4)Cl)([N]#CC)([OH2]1)[N]#CC)[n]1c2cccc1Cl)[N]#CC
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	15.667 ± 0.002 Å
b	9.1628 ± 0.0005 Å
c	16.4418 ± 0.0011 Å
α	90°
β	90.525 ± 0.01°
γ	90°
Cell volume	2360.2 ± 0.4 Å³
Cell temperature	220 ± 0.2 K
Ambient diffraction temperature	220 ± 0.2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for all reflections	0.0882
Weighted residual factors for significantly intense reflections	0.085
Goodness-of-fit parameter for all reflections	1.038
Goodness-of-fit parameter for significantly intense reflections	1.053
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
243824 (current)	2019-11-28	cif/ Adding structures of 7702310, 7702311, 7702312, 7702313, 7702314, 7702315, 7702316 via cif-deposit CGI script.	7702311.cif