Crystallography Open Database

Information card for entry 4107618

Preview

Coordinates	4107618.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Mn(PaPy~2~Q)(NO)]ClO~4~ CH~3~OH
Chemical name	(N,N-bis(2-pyridylmethyl)amine-N-ethyl-2-quinoline-2- carboxamido)nitrosylmanganese(II) perchlorate methanol solvate
Formula	C25 H26 Cl Mn N6 O7
Calculated formula	C25 H26 Cl Mn N6 O6.997
Title of publication	Near-Infrared Light Activated Release of Nitric Oxide from Designed Photoactive Manganese Nitrosyls: Strategy, Design, and Potential as NO Donors
Authors of publication	Aura A. Eroy-Reveles; Yvonne Leung; Christine M. Beavers; Marilyn M. Olmstead; Pradip K. Mascharak
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	4447 - 4458
a	7.193 ± 0.003 Å
b	14.147 ± 0.006 Å
c	14.691 ± 0.006 Å
α	63.558 ± 0.006°
β	77.297 ± 0.006°
γ	81.994 ± 0.006°
Cell volume	1304.3 ± 0.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0785
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178822 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/76.	4107618.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107618.cif
55320	2012-05-04	cif/ Adding structures of 4107618 via cif-deposit CGI script.	4107618.cif