Information card for entry 4065931

Structure parameters

• Formula: C40 H67 I2 N P4 Pt2
• Calculated formula: C40 H67 I2 N P4 Pt2
• SMILES: [Pt](I)([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc1cc2c([nH]c3c2cc(C#C[Pt](I)([P](CC)(CC)CC)[P](CC)(CC)CC)cc3)cc1
• Title of publication: Coordination-Driven Self-Assembly of Metallamacrocycles via a New PtII2Organometallic Building Block with 90° Geometry and Optical Sensing of Anions
• Authors of publication: Shanmugaraju, Sankarasekaran; Bar, Arun Kumar; Chi, Ki-Whan; Mukherjee, Partha Sarathi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 2971
• a: 9.6127 ± 0.0017 Å
• b: 36.807 ± 0.007 Å
• c: 15.011 ± 0.003 Å
• α: 90°
• β: 107.46 ± 0.003°
• γ: 90°
• Cell volume: 5066.4 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.3302
• Residual factor for significantly intense reflections: 0.1267
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.3054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No