Information card for entry 7223327

Structure parameters

• Formula: C58 H68 Cu2 N6 O18 P2
• Calculated formula: C54 H52 Cu2 N6 O14 P2
• Title of publication: Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation
• Authors of publication: Narang, Shikha; Singh, Udai P.; Venugopalan, P.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 1
• Pages of publication: 54
• a: 11.543 ± 0.002 Å
• b: 11.603 ± 0.002 Å
• c: 12.615 ± 0.002 Å
• α: 69.352 ± 0.01°
• β: 63.37 ± 0.01°
• γ: 78.518 ± 0.012°
• Cell volume: 1411.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No