Crystallography Open Database

Information card for entry 7014106

Preview

Coordinates	7014106.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H78 Cl6 N12 Ni3 O25
Calculated formula	C39 H78 Cl6 N12 Ni3 O25
Title of publication	Three-ring, branched cyclam derivatives and their interaction with nickel(II), copper(II), zinc(II) and cadmium(II).
Authors of publication	Dong, Ying; Lindoy, Leonard F.; Turner, Peter; Wei, Gang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	8
Pages of publication	1264 - 1270
a	20.797 ± 0.003 Å
b	13.44 ± 0.003 Å
c	22.316 ± 0.004 Å
α	90°
β	109.4 ± 0.008°
γ	90°
Cell volume	5883.4 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1731
Residual factor for significantly intense reflections	0.1446
Weighted residual factors for significantly intense reflections	0.4188
Weighted residual factors for all reflections included in the refinement	0.4341
Goodness-of-fit parameter for all reflections included in the refinement	1.639
Diffraction radiation wavelength	0.56356 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179845 (current)	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 7/01/41.	7014106.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7014106.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014106.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7014106.cif