Information card for entry 7018300

Structure parameters

• Formula: C68 H106 Cl16 N18 Ni6 O12
• Calculated formula: C68 H106 Cl16 N18 Ni6 O12
• SMILES: C[OH][Ni]123([n]4c(C)cc(C)n4c4[n]1c1[n]5c(n6[n](c(cc6C)C)[Ni]5([OH]C)([OH]C)([Cl]2)[Cl]3)ccc1cc4)Cl.[n]12n(c(cc1C)C)c1[n]3[Ni]42([OH]C)([Cl][Ni]2([n]5n(c(cc5C)C)c5[n]2c3c(cc1)cc5)([OH]C)([Cl]4)Cl)Cl.OC.OC.C(Cl)Cl.[Cl-].[Cl-].C[OH][Ni]123([n]4c(C)cc(C)n4c4[n]1c1[n]5c(n6[n](c(cc6C)C)[Ni]5([OH]C)([OH]C)([Cl]2)[Cl]3)ccc1cc4)Cl.OC.OC.C(Cl)Cl
• Title of publication: Dinickel(ii) complexes: Preparation and catalytic activity.
• Authors of publication: Cheng, Ting-Peng; Liao, Bei-Sih; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 12
• Pages of publication: 3468 - 3473
• a: 14.7648 ± 0.0001 Å
• b: 14.7648 ± 0.0001 Å
• c: 36.4182 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6875.5 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No