Information card for entry 7037633

Structure parameters

• Formula: C46 H71 Cl4 N13 Ni2 O13
• Calculated formula: C46 H71 Cl4 N13 Ni2 O13
• Title of publication: Bimetallic nickel complexes for selective CO2 carbon capture and sequestration.
• Authors of publication: Möller, F; Merz, K.; Herrmann, C.; Apfel, U.-P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 904 - 907
• a: 12.3126 ± 0.0002 Å
• b: 20.433 ± 0.0003 Å
• c: 23.8954 ± 0.0005 Å
• α: 90°
• β: 99.7407 ± 0.0018°
• γ: 90°
• Cell volume: 5925.02 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No