Information card for entry 7036084

Structure parameters

• Formula: C48 H56 B4 Mn P2
• Calculated formula: C48 H56 B4 Mn P2
• SMILES: [BH2]1[H][Mn]234([H]1)([H][BH2][H]2)([H][BH2][H]3)[H][BH2][H]4.c1c(cccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Salts of highly fluorinated weakly coordinating anions as versatile precursors towards hydrogen storage materials.
• Authors of publication: Starobrat, A.; Tyszkiewicz, M. J.; Wegner, W.; Pancerz, D.; Orłowski, P A; Leszczyński, P J; Fijalkowski, K. J.; Jaroń, T; Grochala, W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19469 - 19477
• a: 11.216 ± 0.003 Å
• b: 19.919 ± 0.006 Å
• c: 21.053 ± 0.006 Å
• α: 90°
• β: 91.843 ± 0.005°
• γ: 90°
• Cell volume: 4701 ± 2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0528
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0511
• Goodness-of-fit parameter for all reflections: 1.89
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No