Crystallography Open Database

Information card for entry 7009105

Preview

Coordinates	7009105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 Cu2 I2 N10 O2
Calculated formula	C18 H20 Cu2 I2 N10 O2
SMILES	C12c3cccc[n]3[Cu]34(N1N(C(=O)N(N=2)C)C)[I][Cu]14([I]3)N2C(c3cccc[n]13)=NN(C(=O)N2C)C
Title of publication	Synthesis and structure of di-μ-bromo-bis[(1,5-dimethyl-6-oxo-3-(2-pyridyl)verdazyl)copper(I)] †
Authors of publication	Brook, David J. R.; Fornell, Spring; Noll, Bruce; Yee, Gordon T.; Koch, Tad H.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	13
Pages of publication	2019
a	7.066 ± 0.0005 Å
b	17.4656 ± 0.0014 Å
c	10.5602 ± 0.0008 Å
α	90°
β	102.007 ± 0.002°
γ	90°
Cell volume	1274.74 ± 0.17 Å³
Cell temperature	142 ± 2 K
Ambient diffraction temperature	142 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1162
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179795 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/91.	7009105.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009105.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009105.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009105.cif