Crystallography Open Database

Information card for entry 4327752

Preview

Coordinates	4327752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H72 Fe2 N21 O22 S7
Calculated formula	C81 H72 Fe2 N21 O22 S7
Title of publication	Anion-Dependent Formation of Helicates versus Mesocates of Triple-Stranded M2L3 (M = Fe2+, Cu2+) Complexes
Authors of publication	Fengjuan Cui; Shaoguang Li; Chuandong Jia; Jennifer S. Mathieson; Leroy Cronin; Xiao-Juan Yang; Biao Wu
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	179 - 187
a	20.526 ± 0.006 Å
b	20.526 ± 0.006 Å
c	17.924 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	6540 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.1174
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.2171
Weighted residual factors for all reflections included in the refinement	0.2434
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179380 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/77.	4327752.cif
76674	2013-03-21	cif/ Adding structures of 4327752 via cif-deposit CGI script.	4327752.cif