Information card for entry 7041288

Structure parameters

• Formula: C68 H88 Cl5 N6 Ni2 O16 Tm
• Calculated formula: C68 H88 Cl5 N6 Ni2 O16 Tm
• SMILES: [Tm]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-].ClCCl.ClCCl
• 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: 20.3567 ± 0.0004 Å
• b: 23.5628 ± 0.0003 Å
• c: 18.081 ± 0.0003 Å
• α: 90°
• β: 116.335 ± 0.002°
• γ: 90°
• Cell volume: 7772.7 ± 0.3 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: 0.0654
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No