Crystallography Open Database

Information card for entry 7033383

Preview

Coordinates	7033383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H92.15 Mn3 N6 O13.08
Calculated formula	C78 H90 Mn3 N6 O13.082
Title of publication	Structural variations in metal complexes of a tertiary α-hydroxyoxime.
Authors of publication	D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	16
Pages of publication	7163 - 7168
a	15.6069 ± 0.0009 Å
b	15.6069 ± 0.0009 Å
c	29.9848 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	6325.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1423
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1559
Weighted residual factors for all reflections included in the refinement	0.1736
Goodness-of-fit parameter for all reflections included in the refinement	0.802
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.	7033383.cif
138652	2015-06-07	cif/ Updating files of 7033377, 7033378, 7033379, 7033380, 7033381, 7033382, 7033383, 7033384 Original log message: Adding full bibliography for 7033377--7033384.cif.	7033383.cif
128516	2014-12-11	cif/ Adding structures of 7033377, 7033378, 7033379, 7033380, 7033381, 7033382, 7033383, 7033384 via cif-deposit CGI script.	7033383.cif