Information card for entry 7210633

Structure parameters

• Formula: C10 H14 O8 P2
• Calculated formula: C10 H14 O8 P2
• SMILES: P(=O)(O)(O)c1ccc(P(=O)(O)O)c2ccccc12.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: 23.267 ± 0.004 Å
• b: 4.886 ± 0.001 Å
• c: 12.329 ± 0.002 Å
• α: 90°
• β: 93.18 ± 0.01°
• γ: 90°
• Cell volume: 1399.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No