Information card for entry 7714269

Structure parameters

• Formula: C31 H43 Li N2 O2
• Calculated formula: C31 H43 Li N2 O2
• Title of publication: Blue Emissive Amidinate Based Tetra coordinate Boron Compounds
• Authors of publication: Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.8107 ± 0.0008 Å
• b: 18.733 ± 0.0008 Å
• c: 19.3851 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5741.5 ± 0.5 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No