Crystallography Open Database

Information card for entry 7128165

Preview

Coordinates	7128165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C219 H238.5 F48 Fe4 N37.5 O9 P8
Calculated formula	C177 H148.5 F42 Fe4 N25.5 O4.5 P7
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	21.2196 ± 0.0008 Å
b	21.2196 ± 0.0008 Å
c	30.9753 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	12078.7 ± 0.8 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100 ± 0.3 K
Number of distinct elements	7
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.1642
Residual factor for significantly intense reflections	0.13
Weighted residual factors for significantly intense reflections	0.3195
Weighted residual factors for all reflections included in the refinement	0.3394
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation probe	x-ray
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
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.	7128165.cif
264214	2021-04-16	cif/ Adding structures of 7128164, 7128165, 7128166, 7128167, 7128168, 7128169 via cif-deposit CGI script.	7128165.cif