Crystallography Open Database

Information card for entry 7005927

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Coordinates	7005927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H60 Fe2 N8
Calculated formula	C79 H60 Fe2 N8
Title of publication	Remarkable isolation, structural characterisation and electrochemistry of unexpected scrambling analogues of 5-ferrocenyl-10,20-diphenylporphyrin.
Authors of publication	Auger, Aurélien; Muller, Alfred J.; Swarts, Jannie C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	33
Pages of publication	3623 - 3633
a	17.4122 ± 0.0004 Å
b	12.0231 ± 0.0003 Å
c	13.4818 ± 0.0003 Å
α	90°
β	94.558 ± 0.001°
γ	90°
Cell volume	2813.47 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179763 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/59.	7005927.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005927.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005927.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005927.cif