Crystallography Open Database

Information card for entry 7125652

Preview

Coordinates	7125652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H312 O21 P12 Ru6 S3
Calculated formula	C192 H312 O21 P12 Ru6 S3
Title of publication	Ring size matters: supramolecular isomerism in self-assembled redox-active tetra- and hexaruthenium macrocycles.
Authors of publication	Fink, Daniel; Orth, Nicole; Linseis, Michael; Ivanović-Burmazović, Ivana; Winter, Rainer F.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	7
Pages of publication	1062 - 1065
a	23.3486 ± 0.0004 Å
b	24.9671 ± 0.0005 Å
c	25.2132 ± 0.0005 Å
α	63.089 ± 0.001°
β	83.896 ± 0.001°
γ	71.942 ± 0.001°
Cell volume	12450.7 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 ± 3 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1399
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.2212
Weighted residual factors for all reflections included in the refinement	0.2541
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
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
247603 (current)	2020-02-04	cif/ Updating files of 7125652, 7125653 Original log message: Adding full bibliography for 7125652--7125653.cif.	7125652.cif
245179	2019-12-14	cif/ Adding structures of 7125652, 7125653 via cif-deposit CGI script.	7125652.cif