Information card for entry 4065932

Structure parameters

• Formula: C116 H162 N14 O20 P8 Pt4
• Calculated formula: C116 H162 N14 O20 P8 Pt4
• SMILES: C1#Cc2cc3c4cc(C#C[Pt]([n]5ccc(cc5)NC(=O)c5cc(ccc5)C(=O)Nc5cc[n](cc5)[Pt](C#Cc5cc6c7cc(C#C[Pt]([n]8ccc(cc8)NC(=O)c8cc(C(=O)Nc9cc[n](cc9)[Pt]1([P](CC)(CC)CC)[P](CC)(CC)CC)ccc8)([P](CC)(CC)CC)[P](CC)(CC)CC)ccc7[nH]c6cc5)([P](CC)(CC)CC)[P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC)ccc4[nH]c3cc2.N(=O)(=O)[O-].O=N(=O)[O-].O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• 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: 10.404 ± 0.002 Å
• b: 17.934 ± 0.004 Å
• c: 19.064 ± 0.004 Å
• α: 81.16 ± 0.03°
• β: 86.77 ± 0.03°
• γ: 85.21 ± 0.03°
• Cell volume: 3499.1 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2449
• Weighted residual factors for all reflections included in the refinement: 0.2611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.69998 Å
• Diffraction radiation type: synchrotronx-ray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No