Information card for entry 7029451

Structure parameters

• Formula: C102 H138 N4 Ni2 O9
• Calculated formula: C102 H138 N4 Ni2 O9
• Title of publication: Spontaneous helical folding of bis(Ni-salphen) complexes in solution and in the solid state: spectroscopic tracking of the unfolding process induced by Na(+) ions.
• Authors of publication: Achira, Hiroto; Ito, Muneyuki; Mutai, Toshiki; Yoshikawa, Isao; Araki, Koji; Houjou, Hirohiko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 15
• Pages of publication: 5899 - 5907
• a: 13.544 ± 0.007 Å
• b: 19.397 ± 0.007 Å
• c: 20.246 ± 0.01 Å
• α: 64.07 ± 0.02°
• β: 79.02 ± 0.03°
• γ: 72.67 ± 0.03°
• Cell volume: 4555 ± 4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.1541
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No