Information card for entry 7100698

Structure parameters

• Common name: [HB(3-(Mes)Pz)3]CuCl.CH2Cl2
• Formula: C38 H44 B Cl3 Cu N6
• Calculated formula: C38 H44 B Cl3 Cu N6
• SMILES: [Cu]12([n]3[n]([B]([n]4[n]1c(cc4)c1c(cc(cc1C)C)C)([n]1[n]2c(cc1)c1c(cc(cc1C)C)C)C)ccc3c1c(cc(cc1C)C)C)Cl.ClCCl
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 12.6899 ± 0.0013 Å
• b: 18.2468 ± 0.0018 Å
• c: 18.7138 ± 0.0018 Å
• α: 68.885 ± 0.001°
• β: 88.916 ± 0.002°
• γ: 71.552 ± 0.001°
• Cell volume: 3812.3 ± 0.7 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