Crystallography Open Database

Information card for entry 2238661

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Structure parameters

Chemical name	(2,3,5,6-Tetrafluorophenolato-κ<i>O</i>)(5,10,15,20-tetraphenylporphyrinato)iron(III)
Formula	C50 H29 F4 Fe N4 O
Calculated formula	C50 H29 F4 Fe N4 O
Title of publication	(2,3,5,6-Tetrafluorophenolato-κ<i>O</i>)(5,10,15,20-tetraphenylporphyrinato)iron(III)
Authors of publication	Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	m564 - m565
a	22.287 ± 0.004 Å
b	12.676 ± 0.002 Å
c	13.339 ± 0.002 Å
α	90°
β	98.51 ± 0.004°
γ	90°
Cell volume	3726.9 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2238661.cif
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238661.cif
89611	2013-11-06	cif/ Adding structures of 2238661 via cif-deposit CGI script.	2238661.cif