Information card for entry 7038324

Structure parameters

• Formula: C82 H68 F16 N16 Ni4 O12
• Calculated formula: C82 H68 F16 N16 Ni4 O12
• SMILES: c1cccc2C3(c4cccc[n]4[Ni]4567[n]8c(C9([O]%106[Ni]([n]12)([n]1ccccc91)(N=C=Nc1cc(c(cc1)F)C(F)(F)F)([O]35)[N](=C=Nc1cc(c(F)cc1)C(F)(F)F)[Ni]123%10[n]5c(C6(c9cccc[n]9[Ni]9([N]4=C=Nc4cc(c(cc4)F)C(F)(F)F)([n]4ccccc4C([O]739)(O)c3[n]1cccc3)(N=C=Nc1cc(c(F)cc1)C(F)(F)F)[O]26)OC)cccc5)O)cccc8)OC.OC.OC.OC.OC
• Title of publication: μ1,1-R-phenylcyanamido bridges as a new safe synthetic strategy for ferromagnetic molecular clusters.
• Authors of publication: Speed, Saskia; Casanovas, Berta; Vicente, Ramon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5395 - 5403
• a: 12.5027 ± 0.0004 Å
• b: 21.7883 ± 0.0007 Å
• c: 15.8999 ± 0.0004 Å
• α: 90°
• β: 107.446 ± 0.002°
• γ: 90°
• Cell volume: 4132.1 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0847
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No