Information card for entry 4300378

Structure parameters

• Formula: C46 H42 Br Cu N4 P2 S
• Calculated formula: C46 H42 Br Cu N4 P2 S
• SMILES: [Cu](Br)([S]=C(N)N/N=C/c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 12.3833 ± 0.0009 Å
• b: 13.1945 ± 0.0009 Å
• c: 14.729 ± 0.0011 Å
• α: 97.99 ± 0.001°
• β: 93.996 ± 0.001°
• γ: 117.67 ± 0.001°
• Cell volume: 2085.8 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• 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