Crystallography Open Database

Information card for entry 7009176

Preview

Coordinates	7009176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H41 Cl N4 O9 Pb
Calculated formula	C35 H41 Cl N4 O9 Pb
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	26.494 ± 0.0017 Å
b	12.4426 ± 0.0008 Å
c	22.046 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	7267.6 ± 0.8 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.033
Weighted residual factors for all reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.04
Goodness-of-fit parameter for all reflections	1.104
Goodness-of-fit parameter for all reflections included in the refinement	1.276
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.	7009176.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009176.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009176.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009176.cif