Information card for entry 4506918

Structure parameters

• Formula: C96 H76 N30 O19 Pd4
• Calculated formula: C96 H76 N30 O19 Pd4
• Title of publication: Consequence of Presence and Absence of π-Clouds at Strategic Locations of Designed Binuclear Pd(II) Complexes on Packing: Self-Assembly of Self-Assembly by Intermolecular Locking and Packing
• Authors of publication: Naranthatta, Mili C.; Das, Deepika; Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 6012
• a: 12.1745 ± 0.0014 Å
• b: 15.9854 ± 0.0019 Å
• c: 16.9763 ± 0.0018 Å
• α: 66.886 ± 0.003°
• β: 74.165 ± 0.004°
• γ: 69.919 ± 0.003°
• Cell volume: 2817.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1944
• Residual factor for significantly intense reflections: 0.1107
• Weighted residual factors for significantly intense reflections: 0.2935
• Weighted residual factors for all reflections included in the refinement: 0.3732
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No