Crystallography Open Database

Information card for entry 4327753

Preview

Coordinates	4327753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C231 H201 B6 Br Fe2 N24
Calculated formula	C231 H201 B6 Br0.34 Fe2 N24
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	26.49 ± 0.005 Å
b	26.49 ± 0.005 Å
c	23.483 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	14271 ± 5 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	0.1051
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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.	4327753.cif
76675	2013-03-21	cif/ Adding structures of 4327753 via cif-deposit CGI script.	4327753.cif