Information card for entry 4100919

Structure parameters

• Formula: C39 H50.5 B0.5 Cu N1.5 P3
• Calculated formula: C39 H50.5 B0.5 Cu N1.5 P3
• SMILES: [Cu]234[P](c1c([P]5(C(C)C)C(C)C)cccc1)(c1c([P]3(C(C)C)C(C)C)cccc1)[Cu]56[P]2(c1c([P]4(C(C)C)C(C)C)cccc1)c1c([P]6(C(C)C)C(C)C)cccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#CC.N#CC
• Title of publication: Supplementary Information of X-ray Crystal Analysis of HAM4
• Authors of publication: Kimihisa Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 11.3063 ± 0.0011 Å
• b: 17.3023 ± 0.0016 Å
• c: 19.9594 ± 0.0019 Å
• α: 82.727 ± 0.002°
• β: 81.199 ± 0.002°
• γ: 79 ± 0.002°
• Cell volume: 3768.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No