Information card for entry 4301735

Structure parameters

• Common name: 1a
• Formula: C170 H152 F12 Fe4 N4 O26 P8 Pd4 S4
• Calculated formula: C170 H152 F12 Fe4 N4 O26 P8 Pd4 S4
• Title of publication: Self-Assembled Pd(II) Metallocycles Using an Ambidentate Donor and the Study of Square-Triangle Equilibria
• Authors of publication: Sushobhan Ghosh; Partha Sarathi Mukherjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2605 - 2613
• a: 13.1243 ± 0.0003 Å
• b: 18.9229 ± 0.0004 Å
• c: 20.2725 ± 0.0005 Å
• α: 101.017 ± 0.001°
• β: 105.51 ± 0.001°
• γ: 105.546 ± 0.001°
• Cell volume: 4482.7 ± 0.18 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No