Information card for entry 7041844

Structure parameters

• Formula: C37 H87 Cr2 N6 Na3
• Calculated formula: C37 H87 Cr2 N6 Na3
• SMILES: [Cr]1234[Cr]567[CH3]8[Na]9([CH3]1[Na]1%108([CH3]2[Na]2([CH3]51)([CH3]3)([CH3]6)[N](C)(C)[C@@H]1CCCC[C@H]1[N]2(C)C)[N]([C@H]1[C@H]([N]%10(C)C)CCCC1)(C)C)([CH3]47)[N](C)(C)[C@@H]1CCCC[C@H]1[N]9(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: 12.0585 ± 0.0003 Å
• b: 15.7116 ± 0.0005 Å
• c: 12.5776 ± 0.0004 Å
• α: 90°
• β: 103.98 ± 0.003°
• γ: 90°
• Cell volume: 2312.35 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No