Information card for entry 7023687

Structure parameters

• Formula: C66 H94 Cd2 Cl6 N14 Na2 O32
• Calculated formula: C66 H90 Cd2 Cl6 N14 Na2 O31.98
• SMILES: [N]123Cc4[n]5c(ccc4)NC(C(C)(C)C)=[O][Cd]4615([n]1c(C2)cccc1NC(C(C)(C)C)=[O]4)[n]1c(C3)cccc1NC(C(C)(C)C)=[O]6.[N]123Cc4[n]5c(ccc4)NC(C(C)(C)C)=[O][Cd]4615([n]1c(C2)cccc1NC(C(C)(C)C)=[O]4)[n]1c(C3)cccc1NC(C(C)(C)C)=[O]6.O(Cl(=O)(=O)=O)[Na]12([OH2][Na]([OH2]1)([OH2]2)(OCl(=O)(=O)=O)(OCl(=O)(=O)=O)OCl(=O)(=O)=O)(OCl(=O)(=O)=O)OCl(=O)(=O)=O
• Title of publication: Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.
• Authors of publication: Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 41
• Pages of publication: 14826 - 14835
• a: 16.2935 ± 0.0005 Å
• b: 16.2935 ± 0.0005 Å
• c: 28.842 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6631.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.1023
• Weighted residual factors for significantly intense reflections: 0.2514
• Weighted residual factors for all reflections included in the refinement: 0.2578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No