Crystallography Open Database

Information card for entry 1568062

Preview

Coordinates	1568062.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	μ-Oxo-bis[(octacosafluoro-meso-tetraphenylporphyrinato)iron(III)]
Formula	C88 H4 F56 Fe2 N8 O3
Calculated formula	C88 F56 Fe2 N8 O3
Title of publication	μ-Oxo-bis[(octacosafluoro-<i>meso</i>-tetraphenylporphyrinato)iron(iii)] - synthesis, crystal structure, and catalytic activity in oxidation reactions.
Authors of publication	Schuh, Tristan; Kataeva, Olga; Knölker, Hans-Joachim
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	2
Pages of publication	257 - 265
a	29.489 ± 0.007 Å
b	29.489 Å
c	20.678 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	17982 ± 6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283160 (current)	2023-05-05	cif/ Updating files of 1568061, 1568062 Original log message: Adding full bibliography for 1568061--1568062.cif.	1568062.cif
279787	2022-12-08	cif/ Adding structures of 1568061, 1568062 via cif-deposit CGI script.	1568062.cif