Information card for entry 7210632

Structure parameters

• Formula: C22 H39 La O21 P4
• Calculated formula: C22 H38 La O21 P4
• SMILES: c1(c2c(c(cc1)P(=O)(O)[O-])cccc2)CP(=O)(O[La]([OH2])(OP(=O)(O)Cc1ccc(c2ccccc12)P(=O)([O-])O)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])O.O.O
• Title of publication: Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids
• Authors of publication: Białek, Michał J.; Janczak, Jan; Zoń, Jerzy
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 390
• a: 9.2113 ± 0.0002 Å
• b: 26.5836 ± 0.0005 Å
• c: 6.8556 ± 0.0001 Å
• α: 90°
• β: 96.74 ± 0.002°
• γ: 90°
• Cell volume: 1667.13 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No