Crystallography Open Database

Information card for entry 7012493

Preview

Coordinates	7012493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17.5 H32 Cu N6 O6.5
Calculated formula	C17.5 H32 Cu N6 O6.5
Title of publication	Macrocyclic ligand design. Interaction of a series of successively N-benzylated derivatives of 1,4,8,11-tetraazacyclotetradecane (cyclam) with copper(ii) and nickel(ii)
Authors of publication	Dong, Ying; Lawrance, Geoffrey A.; Lindoy, Leonard F.; Turner, Peter
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	8
Pages of publication	1567
a	16.021 ± 0.0017 Å
b	19.181 ± 0.002 Å
c	15.6723 ± 0.0016 Å
α	90°
β	104.095 ± 0.002°
γ	90°
Cell volume	4671.1 ± 0.8 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.141
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1784
Weighted residual factors for all reflections included in the refinement	0.2226
Goodness-of-fit parameter for all reflections included in the refinement	1.235
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
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.	7012493.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012493.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012493.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012493.cif