Crystallography Open Database

Information card for entry 7026734

Preview

Coordinates	7026734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H79 Cl14 Fe9 N6 O39
Calculated formula	C62 H79 Cl14 Fe9 N6 O39
Title of publication	Unusual Fe9 and Fe18 structural types from the use of 2,6-pyridinedimethanol in Fe(III) cluster chemistry.
Authors of publication	Taguchi, Taketo; Thompson, Michael S.; Abboud, Khalil A.; Christou, George
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	38
Pages of publication	9131 - 9139
a	25.15 ± 0.002 Å
b	15.3942 ± 0.0013 Å
c	14.1502 ± 0.0012 Å
α	90°
β	115.89 ± 0.001°
γ	90°
Cell volume	4928.6 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179973 (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 7/02/67.	7026734.cif
93580	2014-01-13	cif/ Adding structures of 7026733, 7026734 via cif-deposit CGI script.	7026734.cif