Crystallography Open Database

Information card for entry 7022101

Preview

Coordinates	7022101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H42 Fe N4 S2 Zn
Calculated formula	C54 H42 Fe N4 S2 Zn
Title of publication	Long-range electronic connection in picket-fence like ferrocene-porphyrin derivatives.
Authors of publication	Devillers, Charles H.; Milet, Anne; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Bucher, Christophe
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	4
Pages of publication	1196 - 1209
a	34.426 ± 0.016 Å
b	10.1 ± 0.005 Å
c	32.153 ± 0.015 Å
α	90°
β	112.358 ± 0.008°
γ	90°
Cell volume	10339 ± 9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0839
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1578
Weighted residual factors for all reflections included in the refinement	0.1682
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
179926 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/21.	7022101.cif
89977	2013-11-17	cif/ Adding structures of 7022101, 7022102, 7022103, 7022104 via cif-deposit CGI script.	7022101.cif