Crystallography Open Database

Information card for entry 7054061

Preview

Coordinates	7054061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H108 Cl5 Fe8 N59 O30 S11
Calculated formula	C91 H96 Cl5 Fe8 N59 O30 S11
Title of publication	Tuning the nuclearity of iron(iii) polynuclear clusters by using tetradentate Schiff-base ligands
Authors of publication	Abhervé, Alexandre; Clemente-Juan, Juan Modesto; Clemente-León, Miguel; Coronado, Eugenio; Boonmak, Jaursup; Youngme, Sujittra
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	5
Pages of publication	2105
a	28.5279 ± 0.0003 Å
b	28.5279 ± 0.0003 Å
c	41.3731 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	33671.1 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	110
Hermann-Mauguin space group symbol	I 41 c d
Hall space group symbol	I 4bw -2c
Residual factor for all reflections	0.2154
Residual factor for significantly intense reflections	0.1109
Weighted residual factors for significantly intense reflections	0.2758
Weighted residual factors for all reflections included in the refinement	0.347
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
180094 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/40.	7054061.cif
109574	2014-04-16	cif/ Adding structures of 7054057, 7054058, 7054059, 7054060, 7054061 via cif-deposit CGI script.	7054061.cif