Information card for entry 7029531

Structure parameters

• Formula: C64 H54 B1.75 Cl0.25 F7 N6 O4 Pd S2
• Calculated formula: C64 H54 B1.75 Cl0.25 F7 N6 O4 Pd S2
• Title of publication: Narcissistic self-sorting vs. statistic ligand shuffling within a series of phenothiazine-based coordination cages.
• Authors of publication: Frank, Marina; Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar; Clever, Guido H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4587 - 4592
• a: 21.991 ± 0.002 Å
• b: 21.991 ± 0.002 Å
• c: 31.8 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15379 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.258
• Weighted residual factors for all reflections included in the refinement: 0.3031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No