Crystallography Open Database

Information card for entry 7028830

Preview

Coordinates	7028830.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[[Mn(dpaqOMe)(NO)]ClO4
Formula	C24 H22 Cl Mn N6 O7
Calculated formula	C24 H22 Cl Mn N6 O7
Title of publication	Electronic tuning of nitric oxide release from manganese nitrosyl complexes by visible light irradiation: enhancement of nitric oxide release efficiency by the nitro-substituted quinoline ligand.
Authors of publication	Hitomi, Yutaka; Iwamoto, Yuji; Kodera, Masahito
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	2161 - 2167
a	8.6256 ± 0.0005 Å
b	11.7224 ± 0.0009 Å
c	13.1577 ± 0.001 Å
α	71.05 ± 0.004°
β	87.566 ± 0.004°
γ	80.591 ± 0.003°
Cell volume	1241.3 ± 0.16 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.1902
Weighted residual factors for all reflections included in the refinement	0.2268
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179994 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/88.	7028830.cif
105439	2014-03-12	cif/ Adding structures of 7028830, 7028831, 7028832, 7028833 via cif-deposit CGI script.	7028830.cif