Crystallography Open Database

Information card for entry 4339095

Preview

Coordinates	4339095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 Mn N2 O5.5
Calculated formula	C14 H24 Mn N2 O5.5
Title of publication	Manganese(III) Schiff base complexes: chemistry relevant to the copolymerization of epoxides and carbon dioxide.
Authors of publication	Darensbourg, Donald J.; Frantz, Eric B.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	15
Pages of publication	5967 - 5978
a	17.165 ± 0.002 Å
b	6.732 ± 0.0009 Å
c	14.886 ± 0.002 Å
α	90°
β	109.339 ± 0.002°
γ	90°
Cell volume	1623.1 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339095.cif
117140	2014-06-14	cif/ Adding structures of 4339095, 4339096, 4339097, 4339098, 4339099, 4339100 via cif-deposit CGI script.	4339095.cif