Crystallography Open Database

Information card for entry 7033651

Preview

Coordinates	7033651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.5 H25.5 Fe2 N2 O6.5 S
Calculated formula	C26.5 H25.5 Fe2 N2 O6.5 S
Title of publication	Formation, reactivity and redox properties of carbon- and sulfur-bridged diiron complexes derived from dibenzothienyl Schiff bases: effect of N,N- and N,P-chelating moieties.
Authors of publication	Santo, Kiyokazu; Hirotsu, Masakazu; Kinoshita, Isamu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	9
Pages of publication	4155 - 4166
a	9.309 ± 0.0018 Å
b	13.941 ± 0.003 Å
c	20.73 ± 0.004 Å
α	90°
β	98.909 ± 0.002°
γ	90°
Cell volume	2657.8 ± 0.9 Å³
Cell temperature	133 K
Ambient diffraction temperature	133 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7033651.cif
133434	2015-03-06	cif/ Updating files of 7033651, 7033652, 7033653, 7033654, 7033655, 7033656, 7033657 Original log message: Adding full bibliography for 7033651--7033657.cif.	7033651.cif
129685	2015-01-16	cif/ Adding structures of 7033651, 7033652, 7033653, 7033654, 7033655, 7033656, 7033657 via cif-deposit CGI script.	7033651.cif