Crystallography Open Database

Information card for entry 2311596

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Coordinates	2311596.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	μ-Oxido-bis[(5,10,15,20-tetraphenylporphyrinato)iron(III)]
Formula	C88 H56 Fe2 N8 O
Calculated formula	C87.99 H55.99 Fe2 N8 O
Title of publication	Crystal structure of a polymorph of <i>μ</i>-oxido-bis-[(5,10,15,20-tetra-phenyl-porphyrinato)iron(III)].
Authors of publication	Peters, Morten K.; Näther, Christian; Herges, Rainer
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2019
Journal volume	75
Journal issue	Pt 6
Pages of publication	930 - 933
a	14.4477 ± 0.0004 Å
b	14.5325 ± 0.0004 Å
c	17.9076 ± 0.0005 Å
α	71.266 ± 0.002°
β	75.725 ± 0.002°
γ	70.506 ± 0.002°
Cell volume	3315.42 ± 0.17 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.0879
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.206
Weighted residual factors for all reflections included in the refinement	0.2137
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
246006 (current)	2019-12-25	cif/ Adding structures of 2311596 via cif-deposit CGI script.	2311596.cif