Crystallography Open Database

Information card for entry 7712857

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Coordinates	7712857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H40 B4 F16 N8 Pd2
Calculated formula	C64 H40 B4 F16 N8 Pd2
Title of publication	Construction of Pd-based coordination cages with three geometrically distinct ligands.
Authors of publication	Li, Ru-Jin; de Montmollin, Jean; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	11.3697 ± 0.0002 Å
b	65.3984 ± 0.0008 Å
c	11.7619 ± 0.0002 Å
α	90°
β	118.507 ± 0.003°
γ	90°
Cell volume	7685.3 ± 0.3 Å³
Cell temperature	139.99 ± 0.1 K
Ambient diffraction temperature	139.99 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1698
Weighted residual factors for all reflections included in the refinement	0.1748
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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