Crystallography Open Database

Information card for entry 4304230

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Coordinates	4304230.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe(TPOCH3)(NO)(1-MeIm)]
Formula	C52 H42 Fe N7 O5
Calculated formula	C52 H42 Fe N7 O5
Title of publication	Reversible NO Motion in Crystalline [Fe(Porph)(1-MeIm)(NO)] Derivatives
Authors of publication	Nathan J. Silvernail; Jeffrey W. Pavlik; Bruce C. Noll; Charles E. Schulz; W. Robert Scheidt
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	912 - 920
a	9.6652 ± 0.0003 Å
b	14.987 ± 0.0004 Å
c	16.1555 ± 0.0004 Å
α	101.829 ± 0.001°
β	101.538 ± 0.001°
γ	93.835 ± 0.001°
Cell volume	2229.93 ± 0.11 Å³
Cell temperature	330 ± 2 K
Ambient diffraction temperature	330 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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