Crystallography Open Database

Information card for entry 2003751

2003750 << 2003751 >> 2003752

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Formula	C46 H28 F3 Fe N4 O2
Calculated formula	C46.57 H28 F1.71 Fe N4 O3
Title of publication	Molecular Stereochemistry of [Fe^III^(TPP)(OCOCF~3~)]
Authors of publication	Moy, S. A.; González, J. A.; Wilson, L. J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	8
Pages of publication	1490 - 1494
a	14.212 ± 0.003 Å
b	17.39 ± 0.004 Å
c	14.84 ± 0.001 Å
α	90°
β	96.1 ± 0.01°
γ	90°
Cell volume	3646.9 ± 1.2 Å³
Cell temperature	193 K
Number of distinct elements	6
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.083
Goodness-of-fit parameter for significantly intense reflections	1.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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