Information card for entry 7009163

Structure parameters

• Formula: C50 H48 Cd2 F12 N12 O10 P2
• Calculated formula: C50 H48 Cd2 F12 N12 O10 P2
• SMILES: [Cd]([n]1ccc(cc1)c1cc[n]([Cd]([n]2ccc(cc2)c2ccncc2)([n]2ccc(cc2)c2ccncc2)(ON(=O)=O)([OH2])[OH2])cc1)([n]1ccc(cc1)c1ccncc1)([OH2])([OH2])([n]1ccc(cc1)c1ccncc1)ON(=O)=O.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Novel hydrogen-bonded two- and three-dimensional networks generated from the reaction of metal nitrate hydrates (M = Cd, Co) with the bidentate linear ligand 4,4'-bipyridine
• Authors of publication: Dong, Yu-Bin; Smith, Mark D.; Layland, Ralph C.; zur Loye, Hans-Conrad
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 775
• a: 20.669 ± 0.003 Å
• b: 23.43 ± 0.005 Å
• c: 7.533 ± 0.001 Å
• α: 90°
• β: 104.61 ± 0.01°
• γ: 90°
• Cell volume: 3530.1 ± 1 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections: 2.437
• Goodness-of-fit parameter for all reflections included in the refinement: 2.437
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No