Information card for entry 7005115

Structure parameters

• Formula: C58 H94 B2 F8 N18 Ni2 O6 Pd S4
• Calculated formula: C58 H94 B2 F8 N18 Ni2 O6 Pd S4
• SMILES: [B](F)(F)(F)[F-].C1(=C2c3c4[n]([Ni]567([NH]8CC[NH]6CC[NH]5CC[NH]7CC8)[n]5c4c2ccc5)ccc3)S[Pd]2(SC(=C3c4ccc[n]5c4c4c3ccc[n]4[Ni]3465[NH]5CC[NH]3CC[NH]4CC[NH]6CC5)S2)S1.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.[B](F)(F)(F)[F-].N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: A stepwise approach to the formation of heterometallic discrete complexes and infinite architectures.
• Authors of publication: Baudron, Stéphane A; Hosseini, Mir Wais; Kyritsakas, Nathalie; Kurmoo, Mohamedally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 11
• Pages of publication: 1129 - 1139
• a: 8.4793 ± 0.0006 Å
• b: 8.6656 ± 0.0007 Å
• c: 25.7473 ± 0.0018 Å
• α: 84.402 ± 0.004°
• β: 88.143 ± 0.004°
• γ: 80.473 ± 0.004°
• Cell volume: 1856.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No