Crystallography Open Database

Information card for entry 7010176

Preview

Coordinates	7010176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 Cu2 N12 O12 Zn
Calculated formula	C44 H50 Cu2 N12 O12 Zn
SMILES	c1c2c(ccc1)C=[N](O)[Cu]13([N](c4ccccc4C=N3=O)=C3C(O[Zn]4(O3)([O]=CN(C)C)(OC3C(=[N]5c6ccccc6C=N(=O)[Cu]65([N]=3c3ccccc3C=[N]6O)[O]=CN(C)C)O4)[O]=CN(C)C)=[N]21)[O]=CN(C)C
Title of publication	Trinuclear CuIIMIICuII complexes of an oxamide/dioxime ligand and extension to a bimetallic magnetic compound
Authors of publication	Fukita, Nobuo; Ohba, Masaaki; Shiga, Takuya; Ōkawa, Hisashi; Ajiro, Yoshitami
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	1
Pages of publication	64
a	24.91 ± 0.004 Å
b	10.245 ± 0.003 Å
c	19.459 ± 0.003 Å
α	90°
β	104.72 ± 0.01°
γ	90°
Cell volume	4803 ± 1.8 Å³
Cell temperature	296.2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.049
Weighted residual factors for all reflections included in the refinement	0.0501
Goodness-of-fit parameter for all reflections included in the refinement	1.405
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7010176.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010176.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010176.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010176.cif