Information card for entry 1572953

Structure parameters

• Chemical name: Hexaaquanickel(II) dichloride–1,4,7,10,13,16-hexaoxacyclooctadecane–water (1/2/2)
• Formula: C12 H32 Cl Ni0.5 O10
• Calculated formula: C12 H32 Cl Ni0.5 O10
• Authors of publication: Brannon, Jacob P.; Liang, Kevin; Stieber, S. Chantal E.
• Year of publication: 2024
• a: 7.6472 ± 0.0002 Å
• b: 10.418 ± 0.0003 Å
• c: 12.7214 ± 0.0003 Å
• α: 77.288 ± 0.001°
• β: 77.649 ± 0.001°
• γ: 75.4 ± 0.001°
• Cell volume: 943.16 ± 0.04 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 104.95 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No