Crystallography Open Database

Information card for entry 7009483

Preview

Coordinates	7009483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H33 Br3 Cu2 N4 O
Calculated formula	C19 H33 Br3 Cu2 N4 O
SMILES	[Cu]123(Br)[Br][Cu]45(Br)[O]1c1c(cc(cc1C[N]2(CC[N]3(C)C)CC)C)C=[N]5CC[N]4(C)C
Title of publication	Diversity in the reactions of unsymmetric dinucleating Schiff base ligands with CuII and NiII
Authors of publication	Adams, Harry; Fenton, David E.; Haque, Shabana R.; Heath, Sarah L.; Ohba, Masaaki; Okawa, Hisashi; Spey, Sharon E.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	12
Pages of publication	1849
a	15.282 ± 0.003 Å
b	11.3423 ± 0.0019 Å
c	28.242 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4895.3 ± 1.5 Å³
Cell temperature	423 ± 2 K
Ambient diffraction temperature	423 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1135
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.152
Weighted residual factors for all reflections included in the refinement	0.177
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179798 (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 7/00/94.	7009483.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009483.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009483.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009483.cif