Crystallography Open Database

Information card for entry 7009337

Preview

Coordinates	7009337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Br1.83 Cl1.18 Cu1.5 N4 O3
Calculated formula	C21 H24 Br3 Cu1.5 N4 O3
Title of publication	Copper(II) complexes of 6-hydroxymethyl-substituted tris(2-pyridylmethyl)amine ligands
Authors of publication	He, Zhicong; Chaimungkalanont, P. Jinny; Craig, Donald C.; Colbran, Stephen B.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	9
Pages of publication	1419
a	16.31 ± 0.004 Å
b	10.311 ± 0.001 Å
c	28.039 ± 0.006 Å
α	90°
β	90.77 ± 0.01°
γ	90°
Cell volume	4715 ± 1.6 Å³
Cell temperature	294 K
Number of distinct elements	7
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	0.026
Weighted residual factors for all reflections included in the refinement	0.038
Goodness-of-fit parameter for all reflections included in the refinement	1.36
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
296815 (current)	2024-12-10	Changed data names '_diffrn_reflns_{h,k,l}_min', '_diffrn_reflns_{h,k,l}_max', '_exptl_absorpt_correction_t-min' and '_exptl_absorpt_correction_t-max' to '_diffrn_reflns_limit_{h,k,l}_min', '_diffrn_reflns_{h,k,l}_max', '_exptl_absorpt_correction_T_min' and '_exptl_absorpt_correction_T_max' respectively in multiple entries.	7009337.cif
179797	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 7/00/93.	7009337.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009337.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009337.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009337.cif