Crystallography Open Database

Information card for entry 7714030

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Coordinates	7714030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H41 Cs N2
Calculated formula	C29 H41 Cs N2
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	20.764 ± 0.0003 Å
b	10.7073 ± 0.0002 Å
c	12.7363 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2831.62 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.0579
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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