Information card for entry 4100265

Structure parameters

• Formula: C29 H50 B10 N2 O Zr
• Calculated formula: C29 H50 B10 N2 O Zr
• SMILES: [BH]1234[C]567[Zr]89%10%11%12%13%14%15(N(C(=N\C%16CCCCC%16)\[C]%16%171[BH]1%185[BH]5%197[BH]726[BH]265[BH]51%19[BH]1%16%18[BH]%164%17[BH]372[BH]651%16)C1CCCCC1)([cH]1[cH]8[cH]9[cH]%10[cH]%111)[cH]1[cH]%12[cH]%13[cH]%14[cH]%151.O1CCCC1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 10.556 ± 0.002 Å
• b: 24.47 ± 0.0013 Å
• c: 13.1219 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3389.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No