Crystallography Open Database

Information card for entry 7033656

Preview

Coordinates	7033656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H47 Fe N2 O P2 S
Calculated formula	C37 H47 Fe N2 O P2 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	11.82 ± 0.0006 Å
b	17.6223 ± 0.0008 Å
c	19.9604 ± 0.0012 Å
α	63.939 ± 0.008°
β	73.464 ± 0.01°
γ	69.638 ± 0.01°
Cell volume	3458.4 ± 0.4 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1394
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
180042 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/36.	7033656.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.	7033656.cif
129685	2015-01-16	cif/ Adding structures of 7033651, 7033652, 7033653, 7033654, 7033655, 7033656, 7033657 via cif-deposit CGI script.	7033656.cif