Crystallography Open Database

Information card for entry 7009335

Preview

Coordinates	7009335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 Cl Cu N4 O5 S
Calculated formula	C27 H31 Cl Cu N4 O6 S
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	8.929 ± 0.005 Å
b	12.006 ± 0.007 Å
c	14.098 ± 0.009 Å
α	114.43 ± 0.03°
β	97.71 ± 0.04°
γ	91 ± 0.04°
Cell volume	1359.1 ± 1.5 Å³
Cell temperature	294 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.031
Weighted residual factors for all reflections included in the refinement	0.042
Goodness-of-fit parameter for all reflections included in the refinement	1.4
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
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.	7009335.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.	7009335.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009335.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009335.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009335.cif