Information card for entry 7041289

Structure parameters

• Formula: C66 H84 Cl Lu N6 Ni2 O16
• Calculated formula: C66 H84 Cl Lu N6 Ni2 O16
• SMILES: [Lu]1234([O]5[Ni]6789[O]1c1c(C[N]%109CC[N]6(CC[N]8(CC%10)Cc6c5c(OC)cc(c6)C)Cc5c([O]27)c(OC)cc(c5)C)cc(cc1OC)C)[O]1[Ni]2567[O]4c4c(C[N]82CC[N]7(CC[N]6(CC8)Cc2c1c(OC)cc(c2)C)Cc1c([O]35)c(OC)cc(c1)C)cc(cc4OC)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.
• Authors of publication: Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 138 - 149
• a: 20.5007 ± 0.0007 Å
• b: 23.1939 ± 0.0005 Å
• c: 18.0326 ± 0.0005 Å
• α: 90°
• β: 114.771 ± 0.004°
• γ: 90°
• Cell volume: 7785.4 ± 0.5 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• 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: 0.0865
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No