Crystallography Open Database

Information card for entry 7028832

Preview

Coordinates	7028832.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[[Mn(dpaqCl)(NO)]ClO4
Formula	C23 H19 Cl2 Mn N6 O6
Calculated formula	C23 H19 Cl2 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	8.8812 ± 0.0001 Å
b	10.1471 ± 0.0001 Å
c	26.2914 ± 0.0005 Å
α	90°
β	92.9655 ± 0.0008°
γ	90°
Cell volume	2366.17 ± 0.06 Å³
Cell temperature	113 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	7028832.cif
105439	2014-03-12	cif/ Adding structures of 7028830, 7028831, 7028832, 7028833 via cif-deposit CGI script.	7028832.cif