Crystallography Open Database

Information card for entry 7128167

Preview

Coordinates	7128167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H54 F24 Fe2 N12 P4
Calculated formula	C90 H54 Fe2 N12
Title of publication	The kinetics and mechanism of interconversion within a system of [Fe<sub>2</sub>L<sub>3</sub>]<sup>4+</sup> helicates and [Fe<sub>4</sub>L<sub>6</sub>]<sup>8+</sup> cages.
Authors of publication	Siddique, Rashid G.; Arachchige, Kasun S. A.; Al-Fayaad, Hydar A; Brock, Aidan J.; Micallef, Aaron S.; Luis, Ena T.; Thoburn, John D.; McMurtrie, John C.; Clegg, Jack K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	40
Pages of publication	4918 - 4921
a	13.4333 ± 0.0013 Å
b	13.4333 ± 0.0013 Å
c	27.74 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	4335.1 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	182
Hermann-Mauguin space group symbol	P 63 2 2
Hall space group symbol	P 6c 2c
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1847
Weighted residual factors for all reflections included in the refinement	0.188
Goodness-of-fit parameter for all reflections included in the refinement	1.181
Diffraction radiation wavelength	0.7108 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
265883 (current)	2021-06-05	cif/ Updating files of 7128164, 7128165, 7128166, 7128167, 7128168, 7128169 Original log message: Adding full bibliography for 7128164--7128169.cif.	7128167.cif
264214	2021-04-16	cif/ Adding structures of 7128164, 7128165, 7128166, 7128167, 7128168, 7128169 via cif-deposit CGI script.	7128167.cif