Crystallography Open Database

Information card for entry 7131011

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Coordinates	7131011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H39 Al4 F57 O6
Calculated formula	C55 H39 Al4 F57 O6
Title of publication	Cationic dialanes with fluxional π-bridged cyclopentadienyl ligands.
Authors of publication	Dabringhaus, Philipp; Zedlitz, Silja; Krossing, Ingo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2022
Journal volume	59
Journal issue	2
Pages of publication	187 - 190
a	13.709 ± 0.005 Å
b	17.095 ± 0.007 Å
c	17.529 ± 0.006 Å
α	113.074 ± 0.01°
β	102.677 ± 0.016°
γ	96.97 ± 0.02°
Cell volume	3587 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
281334 (current)	2023-03-04	cif/ Updating files of 7131010, 7131011, 7131012, 7131013, 7131014 Original log message: Adding full bibliography for 7131010--7131014.cif.	7131011.cif
279442	2022-11-22	cif/ Adding structures of 7131010, 7131011, 7131012, 7131013, 7131014 via cif-deposit CGI script.	7131011.cif