Information card for entry 4335767

Structure parameters

• Formula: C76 H64 N4 P6 Pt2
• Calculated formula: C76 H64 N4 P6 Pt2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Pt]234[P]56N(CCN5c5c([P](c7ccccc7)([Pt]746[P]42N(CCN4c2c([P]3(c3ccccc3)c3ccccc3)cccc2)c2c([P]7(c3ccccc3)c3ccccc3)cccc2)c2ccccc2)cccc5)c2c1cccc2
• Title of publication: Multimetallic Complexes Featuring a Bridging N-heterocyclic Phosphido/Phosphenium Ligand: Synthesis, Structure, and Theoretical Investigation
• Authors of publication: Baofei Pan; Deirdra A. Evers-McGregor; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9583 - 9589
• a: 16.6096 ± 0.0004 Å
• b: 16.6096 ± 0.0004 Å
• c: 25.8471 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7130.7 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 120
• Hermann-Mauguin space group symbol: I -4 c 2
• Hall space group symbol: I -4 -2c
• Residual factor for all reflections: 0.0195
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for all reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0342
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9722
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No