Information card for entry 4100679

Structure parameters

• Formula: C60 H111 Ir6 N O10 P4 Pt4
• Calculated formula: C60 H111 Ir6 N O10 P4 Pt4
• SMILES: [Pt]12([Pt]3456([Ir]789%10%11%12([Pt]%13%14%15([Ir]%16249([Ir]24138([Pt]17([Ir]%10%13%162(C#[O])(C1=O)C%15=O)([Ir]6%124(C#[O])C#[O])[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O])([Ir]5%11%14(C#[O])C#[O])C#[O])[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O])[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C.N#CC
• Title of publication: Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex
• Authors of publication: Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 19.6831 ± 0.0006 Å
• b: 15.6634 ± 0.0004 Å
• c: 25.1088 ± 0.0007 Å
• α: 90°
• β: 91.732 ± 0.001°
• γ: 90°
• Cell volume: 7737.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No