Information card for entry 7041843

Structure parameters

• Formula: C32 H88 Mo2 N8 Na4
• Calculated formula: C32 H88 Mo2 N8 Na4
• SMILES: [Mo]([CH3]12)([CH3]34)([CH3]56)([CH3]78)[Mo]([CH3]9[Na]14%10%11[N](CC[N]%11(C)C)(C)C)([CH3]%10[Na]1436[N](CC[N]1(C)C)(C)C)([CH3]4[Na]1358[N](CC[N]1(C)C)(C)C)[CH3]3[Na]1729[N](CC[N]1(C)C)(C)C
• Title of publication: Contrasting the group 6 metal-metal bonding in sodium dichromate(ii) and sodium dimolybdate(ii) polymethyl complexes: synthetic, X-ray crystallographic and theoretical studies.
• Authors of publication: Campbell, Ross; Kennedy, Alan R.; McLellan, Ross; Robertson, Stuart D.; Sproules, Stephen; Mulvey, Robert E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5650 - 5659
• a: 11.3776 ± 0.0002 Å
• b: 17.031 ± 0.0004 Å
• c: 12.781 ± 0.0003 Å
• α: 90°
• β: 105.031 ± 0.002°
• γ: 90°
• Cell volume: 2391.86 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No