Crystallography Open Database

Information card for entry 7114221

Preview

Coordinates	7114221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H45 Fe3 N7
Calculated formula	C44 H45 Fe3 N7
Title of publication	Novel ferrocene-containing helical triangular macrocycle achieved via an exchange reaction
Authors of publication	Dong, Guo; Gang, Han; Chun-ying, Duan; Ke-liang, Pang; Qing-jin, Meng
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	10
Pages of publication	1096
a	13.59 ± 0.0019 Å
b	13.59 ± 0.0019 Å
c	37.595 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	6013.1 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1512
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180256 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/42.	7114221.cif
116623	2014-06-13	cif/ Adding structures of 7114221 via cif-deposit CGI script.	7114221.cif