Crystallography Open Database

Information card for entry 4103894

Preview

Coordinates	4103894.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe(TpNO2FP)(NO)(1-MeIm)]
Formula	C51.43 H34.85 Cl0.57 Fe N12.62 O8.99
Calculated formula	C51.427 H34.854 Cl0.573 Fe N12.618 O8.991
Title of publication	Mapping NO Movements in Crystalline [Fe(Porph)(NO)(1-MeIm)]
Authors of publication	Nathan J. Silvernail; Alexander Barabanschikov; J. Timothy Sage; Bruce C. Noll; W. Robert Scheidt
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	2131 - 2140
a	12.566 ± 0.016 Å
b	13.301 ± 0.016 Å
c	15.773 ± 0.019 Å
α	65.65 ± 0.04°
β	85.112 ± 0.014°
γ	75.519 ± 0.017°
Cell volume	2325 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0654
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
178784 (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 4/10/38.	4103894.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103894.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103894.cif
28371	2011-10-26	../uploads/cif-deposit/cod/cif Adding structures of 4103894 via cif-deposit CGI script.	4103894.cif