Crystallography Open Database

Information card for entry 7135329

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Coordinates	7135329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H155 Cs2 O12 P7 Pd6
Calculated formula	C108 H155 Cs2 O12 P7 Pd6
Title of publication	A Palladium Inverse Crown: Synthesis and Characterisation
Authors of publication	Krämer, Felix; Kennedy, Alan; Fernandez, Israel; Mulvey, Robert E.
Journal of publication	Chemical Communications
Year of publication	2026
a	30.981 ± 0.0002 Å
b	14.8646 ± 0.0001 Å
c	25.5815 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	11780.8 ± 0.14 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
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	0.047
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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