Crystallography Open Database

Information card for entry 7702561

Preview

Coordinates	7702561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 Cd2 N16 O19
Calculated formula	C24 H40 Cd2 N16 O19
SMILES	[Cd]123([OH2])(ON(=O)=O)[n]4ccccc4C(N)=[N]1[N]1=C(N)c4[n](cccc4)[Cd]41([OH2])(ON(=O)=O)[n]1ccccc1C(N)=[N]4[N]3=C(N)c1[n]2cccc1.O=N(=O)[O-].O.O.O.O.O=N(=O)[O-].O.O
Title of publication	N‒N Bridged dinuclear complexes with Mn(ii), Ni(ii), Cu(ii), Zn(ii) and Cd(ii); examples with antiferromagnetic and ferromagnetic coupling
Authors of publication	Xu, Zhiqiang; Thompson, Laurence K.; Black, Daniel A.; Ralph, Corbin; Miller, David O.; Leech, Michael A.; Howard, Judith A. K.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	13
Pages of publication	2042
a	23.87 ± 0.003 Å
b	13.418 ± 0.008 Å
c	14.721 ± 0.005 Å
α	90°
β	119.9 ± 0.01°
γ	90°
Cell volume	4087 ± 3 Å³
Cell temperature	299.2 K
Ambient diffraction temperature	299.2 K
Number of distinct elements	5
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	0.047
Residual factor for significantly intense reflections	0.034
Weighted residual factors for all reflections	0.04
Weighted residual factors for all reflections included in the refinement	0.04
Goodness-of-fit parameter for all reflections	2.873
Goodness-of-fit parameter for all reflections included in the refinement	3.11
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243907 (current)	2019-11-28	cif/ Adding structures of 7702556, 7702557, 7702558, 7702559, 7702560, 7702561 via cif-deposit CGI script.	7702561.cif