Crystallography Open Database

Information card for entry 7707352

Preview

Coordinates	7707352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 Br6 Fe3 N6 O
Calculated formula	C12 H18 Br6 Fe3 N6 O
Title of publication	Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.
Authors of publication	Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	23
Pages of publication	8057 - 8069
a	12.3952 ± 0.0001 Å
b	12.3952 ± 0.0001 Å
c	30.5277 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	4061.92 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0189
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0473
Weighted residual factors for all reflections included in the refinement	0.0474
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267192 (current)	2021-07-05	cif/ Updating files of 7707347, 7707348, 7707349, 7707350, 7707351, 7707352, 7707353, 7707354, 7707355, 7707356, 7707357, 7707358, 7707359 Original log message: Adding full bibliography for 7707347--7707359.cif.	7707352.cif
265025	2021-05-07	cif/ Adding structures of 7707347, 7707348, 7707349, 7707350, 7707351, 7707352, 7707353, 7707354, 7707355, 7707356, 7707357, 7707358, 7707359 via cif-deposit CGI script.	7707352.cif