Crystallography Open Database

Information card for entry 7128164

Preview

Coordinates	7128164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C189 H129 F48 Fe4 N27 O3 P8
Calculated formula	C181.5 H111.5 F36 Fe4 N24.5 O0.5 P6
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	16.904 ± 0.003 Å
b	22.714 ± 0.005 Å
c	29.166 ± 0.006 Å
α	78.57 ± 0.03°
β	73.36 ± 0.03°
γ	69.54 ± 0.03°
Cell volume	9993 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1963
Weighted residual factors for all reflections included in the refinement	0.2084
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.7108 Å
Diffraction radiation type	Synchrotron
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.	7128164.cif
264214	2021-04-16	cif/ Adding structures of 7128164, 7128165, 7128166, 7128167, 7128168, 7128169 via cif-deposit CGI script.	7128164.cif