Crystallography Open Database

Information card for entry 7010120

Preview

Coordinates	7010120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.19 H51.6 Cl4 Cu2 N8.6 O2.9
Calculated formula	C29.2 H51.6 Cl4 Cu2 N8.6 O2.9
Title of publication	Preparation of the copper(II) complex of the binucleating hexaaza macrocycle 2,5,8,17,20,23-hexaaza[9.9]paracyclophane and its solution chemistry, hydrolytic activity and acid dissociation kinetics ‡
Authors of publication	Clifford, Thomas; Danby, Andrew M.; Lightfoot, Philip; Richens, David T.; Hay, Robert W.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	3
Pages of publication	240
a	14.971 ± 0.008 Å
b	42.24 ± 0.04 Å
c	25.32 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	16012 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	493 ± 2 K
Number of distinct elements	6
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.1524
Residual factor for significantly intense reflections	0.1011
Weighted residual factors for significantly intense reflections	0.2536
Weighted residual factors for all reflections included in the refinement	0.3101
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7010120.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010120.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010120.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010120.cif