Information card for entry 4342695

Structure parameters

• Formula: C57 H98 N12 O29 P4 Pd12 S
• Calculated formula: C57 H98 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: 21.4768 ± 0.0011 Å
• b: 28.3891 ± 0.0014 Å
• c: 17.6626 ± 0.0008 Å
• α: 90°
• β: 108.407 ± 0.002°
• γ: 90°
• Cell volume: 10218 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No