Crystallography Open Database

Information card for entry 4327750

Preview

Coordinates	4327750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H72 B7 F28 Fe2 N21
Calculated formula	C81 H72 B7 F28 Fe2 N21
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	20.542 ± 0.002 Å
b	20.542 ± 0.002 Å
c	17.928 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	6551.6 ± 1.2 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	0.0533
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	4327750.cif
76672	2013-03-21	cif/ Adding structures of 4327750 via cif-deposit CGI script.	4327750.cif