Information card for entry 7212358

Structure parameters

• Formula: C30 H22 Hg I4 N6 Ni
• Calculated formula: C30 H22 Hg I4 N6 Ni
• SMILES: [Hg](I)(I)([I-])[I-].[Ni]1234([n]5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(ccc1)c1[n]4cccc1
• Title of publication: Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0
• Authors of publication: McMurtrie, John; Dance, Ian
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2700
• a: 8.9069 ± 0.001 Å
• b: 13.303 ± 0.0015 Å
• c: 14.6187 ± 0.0017 Å
• α: 81.002 ± 0.002°
• β: 88.549 ± 0.002°
• γ: 80.563 ± 0.002°
• Cell volume: 1687.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.032
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No