Crystallography Open Database

Information card for entry 4307812

Preview

Coordinates	4307812.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{Cp2Fe[ZnTPP(THF)]2}{Cp2Fe[ZnTPP(THF)ZnTPP(MeOH)]}.3MeOH.6THF
Formula	C232 H211 Fe2 N16 O13 Zn4
Calculated formula	C232 H203 Fe2 N16 O13 Zn4
Title of publication	Synthesis, Characterization, and Electrochemical Studies of β,β'-Fused Metallocenoporphyrins
Authors of publication	Hong J. H. Wang; Laurent Jaquinod; Marilyn M. Olmstead; M. Graça H. Vicente; Karl M. Kadish; Zhongping Ou; Kevin M. Smith
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	2898 - 2913
a	33.327 ± 0.005 Å
b	19.145 ± 0.003 Å
c	29.603 ± 0.005 Å
α	90°
β	106.309 ± 0.002°
γ	90°
Cell volume	18128 ± 5 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1639
Residual factor for significantly intense reflections	0.0906
Weighted residual factors for significantly intense reflections	0.2147
Weighted residual factors for all reflections included in the refinement	0.247
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179116 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/78.	4307812.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307812.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307812.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307812.cif