Information card for entry 4343993

Structure parameters

• Formula: C39 H38 Cl4 N6 Ni O2
• Calculated formula: C39 H37.8 Cl4 N6 Ni O2
• Title of publication: Versatile Coordination Mode of a New Pyridine-Based Ditopic Ligand with Transition Metals: From Regular Pyridine to Alkyne and Alkenyl Bindings and Indolizinium Formation.
• Authors of publication: Kumar, Sushil; Mandon, Dominique
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7481 - 7491
• a: 10.1545 ± 0.0005 Å
• b: 35.952 ± 0.002 Å
• c: 20.648 ± 0.001 Å
• α: 90°
• β: 94.182 ± 0.005°
• γ: 90°
• Cell volume: 7518 ± 0.7 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No