Crystallography Open Database

Information card for entry 7705405

Preview

Coordinates	7705405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122.8 H118.6 F6 O3.6 P3 Ru
Calculated formula	C122.8 H118.6 F6 O3.6 P3 Ru
Title of publication	Hexa-<i>peri</i>-hexabenzocoronene decorated with an allenylidene ruthenium complex - almost a flyswatter.
Authors of publication	Lorenz, Rebecca; Reger, David; Weller, Ruth; Jux, Norbert; Burzlaff, Nicolai
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	37
Pages of publication	13134 - 13141
a	14.9819 ± 0.0003 Å
b	19.1809 ± 0.0004 Å
c	20.0515 ± 0.0004 Å
α	75.2303 ± 0.0017°
β	70.2676 ± 0.0018°
γ	67.3264 ± 0.0019°
Cell volume	4952.68 ± 0.19 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.0683
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
257501 (current)	2020-10-06	cif/ Updating files of 7705405 Original log message: Adding full bibliography for 7705405.cif.	7705405.cif
256293	2020-09-10	cif/ Adding structures of 7705405 via cif-deposit CGI script.	7705405.cif