Crystallography Open Database

Information card for entry 7010007

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Coordinates	7010007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H39 Cl2 Cu2 N7 O3
Calculated formula	C37 H42 Cl2 Cu2 N7 O3
Title of publication	Copper(II/I) complexes of a bulky tris(pyrazolylmethyl)amine ligand
Authors of publication	Zhixuan (Jack) Chen; Natasha Karasek; Donald C. Craig; Stephen B. Colbran
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2000
Journal issue	19
Pages of publication	3445 - 3452
a	12.154 ± 0.006 Å
b	13.182 ± 0.008 Å
c	14.328 ± 0.009 Å
α	113.03 ± 0.04°
β	91.98 ± 0.04°
γ	117.45 ± 0.02°
Cell volume	1809 ± 2 Å³
Cell temperature	294 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	2.43
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.	7010007.cif
179804	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/00.	7010007.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010007.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010007.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010007.cif