Crystallography Open Database

Information card for entry 4103896

Preview

Coordinates	4103896.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe(TPP)(NO)(1-MeIm)].CHCl3
Formula	C48.74 H34.74 Cl2.23 Fe N7 O0.99
Calculated formula	C48.742 H34.742 Cl2.226 Fe N7 O0.991
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	9.755 ± 0.0003 Å
b	17.7199 ± 0.0005 Å
c	25.3249 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4377.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1702
Weighted residual factors for all reflections included in the refinement	0.1897
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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