Information card for entry 4342689

Structure parameters

• Formula: C56 H95 Cl N12 O29 P4 Pd12 S
• Calculated formula: C56 H95 Cl N12 O29 P4 Pd12 S
• Title of publication: A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host‒Guest Studies
• Authors of publication: Gupta, Arvind K.; Yadav, Ashok; Srivastava, Anant Kumar; Ramya, Kormathmadam Raghupathy; Paithankar, Harshad; Nandi, Shyamapada; Chugh, Jeetender; Boomishankar, Ramamoorthy
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Pages of publication: 150317143949001
• a: 21.447 ± 0.004 Å
• b: 28.408 ± 0.004 Å
• c: 17.659 ± 0.003 Å
• α: 90°
• β: 108.562 ± 0.004°
• γ: 90°
• Cell volume: 10199 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1592
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No