Crystallography Open Database

Information card for entry 7009174

Preview

Coordinates	7009174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H41 Cu N5 O10.8675
Calculated formula	C35 H41 Cu N5 O10.87
Title of publication	Macrocyclic ligand design. Interaction of selected transition and post-transition metal ions with a new N2O2-donor macrocycle incorporating a pyridylmethyl pendant arm
Authors of publication	Atkinson, Ian M.; Chartres, Jy D.; Everett, Grover W.; Ji, Xue-Kui; Lindoy, Leonard F.; Matthews, Owen A.; Meehan, George V.; Skelton, Brian W.; Wei, Gang; White, Allan H.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	7
Pages of publication	1191
a	20.641 ± 0.009 Å
b	14.447 ± 0.007 Å
c	24.912 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	7429 ± 6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.142
Residual factor for significantly intense reflections	0.07
Weighted residual factors for all reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections	1.705
Goodness-of-fit parameter for all reflections included in the refinement	1.934
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7009174.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009174.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009174.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009174.cif