Information card for entry 7024041

Structure parameters

• Formula: C42 H62 N4 Na2 O2
• Calculated formula: C42 H62 N4 Na2 O2
• SMILES: [Na]12([N](=Cc3ccc[n]13[Na]1([N](=Cc3ccc[n]213)c1c(C(C)C)cccc1C(C)C)[O](CC)CC)c1c(C(C)C)cccc1C(C)C)[O](CC)CC
• Title of publication: Sodium complexes containing 2-iminopyrrolyl ligands: the influence of steric hindrance in the formation of coordination polymers.
• Authors of publication: Gomes, Clara S. B.; Suresh, D.; Gomes, Pedro T.; Veiros, Luis F.; Duarte, M. Teresa; Nunes, Teresa G.; Oliveira, M Conceição
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 736 - 748
• a: 11.704 ± 0.006 Å
• b: 10.39 ± 0.004 Å
• c: 17.231 ± 0.007 Å
• α: 90°
• β: 95.563 ± 0.016°
• γ: 90°
• Cell volume: 2085.5 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1655
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No