Information card for entry 7210630

Structure parameters

• Formula: C11 H16 O8 P2
• Calculated formula: C11 H16 O8 P2
• SMILES: P(=O)(O)(O)c1ccc(c2ccccc12)CP(=O)(O)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: 22.492 ± 0.003 Å
• b: 8.066 ± 0.001 Å
• c: 15.534 ± 0.002 Å
• α: 90°
• β: 91.5 ± 0.01°
• γ: 90°
• Cell volume: 2817.2 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No