Information card for entry 1533009

Structure parameters

• Formula: C68 H86 Mo2 O4 P4 Sm2
• Calculated formula: C68 H86 Mo2 O4 P4 Sm2
• SMILES: [Sm]12345678([O]#C[Mo]9%10%11%12%13(P%14P%15[Mo]%16%17%18%19(P%15P9%14)([cH]9[cH]%16[cH]%17[cH]%18[cH]%199)(C#[O][Sm]9%14%15%16%17%18%19%20([c]%21([c]%16([c]%15([c]%14([c]9%21C)C)C)C)C)[c]9([c]%17([c]%18([c]%19([c]%209C)C)C)C)C)C#[O])([cH]9[cH]%10[cH]%11[cH]%12[cH]%139)C#[O])([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6(C)[c]8([c]71C)C)C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: The approach to 4d/4f-polyphosphides
• Authors of publication: Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 7179
• a: 9.6185 ± 0.0007 Å
• b: 10.2667 ± 0.0007 Å
• c: 17.5096 ± 0.0013 Å
• α: 83.519 ± 0.006°
• β: 77.307 ± 0.006°
• γ: 78.461 ± 0.006°
• Cell volume: 1648.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No