Information card for entry 4300795

Structure parameters

• Formula: C38 H41 B8 Cl4 Mn O3 P2 Pt
• Calculated formula: C38 H41 B8 Cl4 Mn O3 P2 Pt
• SMILES: [Mn]1234([BH]5678([C]9%10([BH]%11%125[BH]5%13%10[BH]%1069[BH]6927([H]3)[BH]25%10[BH]3%11%13[BH]62[Pt]248%1293[P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)[H]1)(C#[O])(C#[O])C#[O].C(Cl)Cl.C(Cl)Cl
• Title of publication: Reactions of the Dianion [1,1,1-(CO)3-2-Ph-closo-1,2-MnCB9H9]2- with Transition-Metal Cations: Facile Insertion and Then Extrusion of Cluster Vertexes
• Authors of publication: Du, Shaowu; Jeffery, John C.; Kautz, Jason A.; Lu, Xiu Lian; McGrath, Thomas D.; Miller, Thomas A.; Riis-Johannessen, T.; Stone, F. Gordon A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2815 - 2825
• a: 10.0647 ± 0.0011 Å
• b: 11.028 ± 0.0007 Å
• c: 20.0776 ± 0.0018 Å
• α: 86.511 ± 0.006°
• β: 77.386 ± 0.009°
• γ: 88.671 ± 0.008°
• Cell volume: 2170.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No