Information card for entry 7201093

Structure parameters

• Formula: C53.13 H51.25 B Cl0.25 N4 Ni O3
• Calculated formula: C53.125 H51.25 B Cl0.25 N4 Ni O3
• Title of publication: Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands
• Authors of publication: Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2650
• a: 18.582 ± 0.002 Å
• b: 20.431 ± 0.003 Å
• c: 25.719 ± 0.003 Å
• α: 103.07 ± 0.02°
• β: 95.62 ± 0.02°
• γ: 107.28 ± 0.02°
• Cell volume: 8938 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No