Information card for entry 7108708

Structure parameters

• Formula: C78 H96 Br4 N4 Zn2
• Calculated formula: C78 H96 Br4 N4 Zn2
• SMILES: C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Zn]1(Br)[Br][Zn](=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)(Br)[Br]1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Metal-only Lewis pairs featuring unsupported Pt>M (M = Zn or Cd) dative bonds
• Authors of publication: Mengtao Ma; Anastas Sidiropoulos; Lalrempuia Ralte; Andreas Stasch; Cameron Jones
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 48
• a: 10.707 ± 0.002 Å
• b: 12.313 ± 0.003 Å
• c: 16.081 ± 0.003 Å
• α: 70.83 ± 0.03°
• β: 88.76 ± 0.03°
• γ: 66.98 ± 0.03°
• Cell volume: 1829.1 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No