Information card for entry 7706973

Structure parameters

• Formula: C11 H21 Cl N8 Ni O8
• Calculated formula: C11 H21 Cl N8 Ni O8
• SMILES: c1cc2C(C)=[N]3NC(N)=[O][Ni]43([n]2c(c1)C(C)=[N]4NC(=O)N)([OH2])[OH2].N(=O)(=O)[O-].O.[Cl-]
• Title of publication: Hepta-coordinated Ni(II) assemblies - structure and magnetic studies.
• Authors of publication: Reczyński, Mateusz; Akaki, Mitsuru; Fukuda, Takamitsu; Sawada, Yuya; Nishii, Kengo; Hagiwara, Masayuki; Nitek, Wojciech; Sieklucka, Barbara; Nowicka, Beata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 5251 - 5261
• a: 6.913 ± 0.0001 Å
• b: 12.341 ± 0.0002 Å
• c: 12.639 ± 0.0002 Å
• α: 114.801 ± 0.001°
• β: 93.946 ± 0.001°
• γ: 103.776 ± 0.001°
• Cell volume: 933.1 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0231
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No