Information card for entry 4122973

Structure parameters

• Formula: C168 H104 Mo8 N24 O56
• Calculated formula: C168 H104 Mo8 N24 O56
• SMILES: C12c3cccc(c3)NC(=O)c3nc(ccc3)C(=O)Nc3cc(ccc3)C3=[O][Mo]456([O]=C7c8cccc(c8)NC(=O)c8nc(ccc8)C(=O)Nc8cc(ccc8)C8=[O][Mo]9%10%11([O]=C%12c%13cccc(c%13)NC(=O)c%13nc(ccc%13)C(=O)Nc%13cc(ccc%13)C%13=[O][Mo]%14%15%16([O]=C%17c%18cccc(c%18)NC(=O)c%18nc(ccc%18)C(=O)Nc%18cc(ccc%18)C%18=[O][Mo]%19%20(O2)([Mo]2([O]=1)(O%18)[O]=C(c1cccc(c1)NC(=O)c1nc(ccc1)C(=O)Nc1cc(ccc1)C(O6)=[O][Mo]4(O7)(O3)[O]=C(c1cccc(c1)NC(=O)c1nc(ccc1)C(=O)Nc1cc(ccc1)C(O%11)=[O][Mo]%10(O%12)([O]=C(c1cccc(c1)NC(=O)c1nc(ccc1)C(=O)Nc1cc(ccc1)C(O%14)=[O][Mo]%15(O%17)(O%13)[O]=C(c1cccc(c1)NC(=O)c1nc(ccc1)C(=O)Nc1cc(ccc1)C(=[O]%20)O2)O%16)O9)O8)O5)O%19)[OH2])[OH2])[OH2])[OH2].O.O.O.O
• Title of publication: Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing "Codes" of Bridging Ligands and Metathesis of Metal Units.
• Authors of publication: Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141120112955009
• a: 34.623 ± 0.002 Å
• b: 34.623 ± 0.002 Å
• c: 16.4266 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19691 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No