Information card for entry 7055251

Structure parameters

• Formula: C30 H46 F9 N5 Ni2 O10
• Calculated formula: C30 H46 F9 N5 Ni2 O10
• SMILES: [Ni]1234([O]5[Ni]6([N](=Cc7c5c(cc(c7)C)C=[N]1CC[N]2(CC)CC)CC[N]6(CC)CC)([O]=C(O3)C(F)(F)F)(OC(=[O]4)C(F)(F)F)[O]=CN(C)C)[OH2].O=C([O-])C(F)(F)F.O
• Title of publication: Dinuclear nickel complexes of divergent Ni⋯Ni separation showing ancillary ligand addition and bio-macromolecular interaction
• Authors of publication: Mahapatra, Tufan Singha; Chaudhury, Susmitnarayan; Dasgupta, Swagata; Bertolasi, Valerio; Ray, Debashis
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 2268
• a: 11.6655 ± 0.0001 Å
• b: 16.9475 ± 0.0001 Å
• c: 22.7678 ± 0.0002 Å
• α: 74.219 ± 0.0004°
• β: 87.0926 ± 0.0004°
• γ: 75.704 ± 0.0004°
• Cell volume: 4196.77 ± 0.06 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No