Information card for entry 7041842

Structure parameters

• Formula: C25 H69 Cr2 N6 Na3
• Calculated formula: C25 H69 Cr2 N6 Na3
• SMILES: [Cr]1234[CH3]5[Na]67([N](C)(C)CC[N]7(C)C)[CH3][Cr]1([CH3][Na]15([CH3]2)[N](C)(C)CC[N]1(C)C)([CH3][Na]1([N](C)(C)CC[N]1(C)C)[CH3]3)[CH3]46
• 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: 13.552 ± 0.0007 Å
• b: 14.8524 ± 0.0006 Å
• c: 18.5398 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3731.7 ± 0.3 ų
• Cell temperature: 150.1 K
• Ambient diffraction temperature: 150.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No