Information card for entry 4323561

Structure parameters

• Common name: Salpten{B(OMe)2}2
• Formula: C23 H32 B2 N2 O6
• Calculated formula: C23 H32 B2 N2 O6
• SMILES: [B]1([N](=Cc2c(O1)cccc2)CCCCC[N]1[B](OC)(OC)Oc2c(C=1)cccc2)(OC)OC
• Title of publication: Bimetallic Borate Derivatives of the Salen Ligands
• Authors of publication: Pingrong Wei; David A. Atwood
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4060 - 4065
• a: 6.1998 ± 0.0004 Å
• b: 13.8853 ± 0.0011 Å
• c: 28.576 ± 0.002 Å
• α: 88.973 ± 0.002°
• β: 83.822 ± 0.001°
• γ: 77.114 ± 0.001°
• Cell volume: 2384.1 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections: 0.2576
• Weighted residual factors for significantly intense reflections: 0.1955
• Goodness-of-fit parameter for all reflections: 0.87
• Goodness-of-fit parameter for significantly intense reflections: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No