Crystallography Open Database

Information card for entry 7010004

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Coordinates	7010004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H39 Cl2 Cu N7 O3
Calculated formula	C43 H46 Cl2 Cu N7 O4
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	7.314 ± 0.002 Å
b	20.573 ± 0.002 Å
c	12.094 ± 0.002 Å
α	90°
β	104.575 ± 0.008°
γ	90°
Cell volume	1761.2 ± 0.6 Å³
Cell temperature	294 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.033
Weighted residual factors for all reflections included in the refinement	0.043
Goodness-of-fit parameter for all reflections included in the refinement	1.39
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.	7010004.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7010004.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010004.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010004.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010004.cif