Crystallography Open Database

Information card for entry 7714031

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Coordinates	7714031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H97 Cs N2 O12
Calculated formula	C60 H97 Cs N2 O12
Title of publication	Revealing unbound β-diketiminate anions: structural dynamics from caesium complexes.
Authors of publication	Videa, Hellen; Martínez-Martínez, Antonio J
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	37
Pages of publication	13058 - 13062
a	13.7097 ± 0.0006 Å
b	15.1667 ± 0.0007 Å
c	16.4016 ± 0.0008 Å
α	77.66 ± 0.003°
β	77.052 ± 0.002°
γ	73.081 ± 0.002°
Cell volume	3139.2 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0647
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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