Information card for entry 7033963

Structure parameters

• Common name: manganese bisborohydride tris(pyridine)
• Formula: C15 H23 B2 Mn N3
• Calculated formula: C15 H23 B2 Mn N3
• SMILES: [BH3][H][Mn]([n]1ccccc1)([n]1ccccc1)([H][BH3])[n]1ccccc1
• Title of publication: Challenges in the synthetic routes to Mn(BH4)2: insight into intermediate compounds.
• Authors of publication: Tumanov, Nikolay A.; Safin, Damir A.; Richter, Bo; Łodziana, Zbigniew; Jensen, Torben R.; Garcia, Yann; Filinchuk, Yaroslav
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6571 - 6580
• a: 12.3618 ± 0.0004 Å
• b: 15.5064 ± 0.0005 Å
• c: 9.2859 ± 0.0004 Å
• α: 90°
• β: 101.126 ± 0.004°
• γ: 90°
• Cell volume: 1746.53 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No