Crystallography Open Database

Information card for entry 7714032

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Coordinates	7714032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H89 Cs N2 O12
Calculated formula	C53 H89 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	26.0601 ± 0.0005 Å
b	13.0041 ± 0.0002 Å
c	18.7072 ± 0.0003 Å
α	90°
β	117.471 ± 0.001°
γ	90°
Cell volume	5624.82 ± 0.17 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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