Information card for entry 4123256

Structure parameters

• Formula: C16 H14 N4 O56 P12 Zn6
• Calculated formula: C16 H14 N4 O56 P12 Zn6
• Title of publication: Reversible Solid-to-Liquid Phase Transition of Coordination Polymer Crystals.
• Authors of publication: Umeyama, Daiki; Horike, Satoshi; Inukai, Munehiro; Itakura, Tomoya; Kitagawa, Susumu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 2
• Pages of publication: 864 - 870
• a: 13.8557 ± 0.0017 Å
• b: 15.1778 ± 0.0019 Å
• c: 16.237 ± 0.002 Å
• α: 102.734 ± 0.005°
• β: 115.096 ± 0.004°
• γ: 95.621 ± 0.007°
• Cell volume: 2944.5 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0641
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No