Crystallography Open Database

Information card for entry 7028831

Preview

Coordinates	7028831.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[[Mn(dpaqCl)(NO)]ClO4
Formula	C23 H20 Cl Mn N6 O6
Calculated formula	C23 H20 Cl Mn N6 O6
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	12.3007 ± 0.0005 Å
b	13.3626 ± 0.0006 Å
c	14.1948 ± 0.0007 Å
α	90°
β	107.07 ± 0.002°
γ	90°
Cell volume	2230.41 ± 0.18 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1479
Residual factor for significantly intense reflections	0.108
Weighted residual factors for significantly intense reflections	0.2588
Weighted residual factors for all reflections included in the refinement	0.313
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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.	7028831.cif
105439	2014-03-12	cif/ Adding structures of 7028830, 7028831, 7028832, 7028833 via cif-deposit CGI script.	7028831.cif