Information card for entry 4067783

Structure parameters

• Formula: C26 H52 Mn2 P4
• Calculated formula: C26 H52 Mn2 P4
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Mn]162345([PH](C(C)(C)C)[Mn]23456([cH]6[cH]2[cH]3[cH]4[cH]56)([PH]1C(C)(C)C)[P]C(C)(C)C)[P]C(C)(C)C
• Title of publication: Structure and Bonding of the Manganese(II) Phosphide Complex (t-BuPH2)(η5-Cp)Mn{μ-(t-BuPH)}2Mn(Cp)(t-BuPH2)
• Authors of publication: Stokes, Francesca A.; Less, Robert J.; Haywood, Joanna; Melen, Rebecca L.; Thompson, Richard I.; Wheatley, Andrew E. H.; Wright, Dominic S.; Johansson, Adam Johannes; Kloo, Lars
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 23
• a: 9.1287 ± 0.0001 Å
• b: 9.1287 ± 0.0001 Å
• c: 35.7743 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2981.19 ± 0.05 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No