Information card for entry 4339254

Structure parameters

• Formula: C54 H74 B2 Cd2 F10 N8 O11
• Calculated formula: C54 H74 B2 Cd2 F10 N8 O11
• SMILES: [Cd]1234([N]5c6c([N]1=Cc1[nH]c(cc1)C(c1[nH]c(C=[N]7[Cd]([F]2)([F]3)([OH2]4)([OH2])[N](=Cc2[nH]c(C(c3[nH]c(C=5)cc3)(C)C)cc2)c2cc(OC)c(OC)cc72)cc1)(C)C)cc(OC)c(OC)c6)[OH2].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C
• Title of publication: Binuclear fluoro-bridged zinc and cadmium complexes of a schiff base expanded porphyrin: fluoride abstraction from the tetrafluoroborate anion.
• Authors of publication: Tomat, Elisa; Cuesta, Luciano; Lynch, Vincent M.; Sessler, Jonathan L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6224 - 6226
• a: 13.811 ± 0.001 Å
• b: 15.527 ± 0.001 Å
• c: 16.203 ± 0.001 Å
• α: 101.226 ± 0.002°
• β: 106.446 ± 0.002°
• γ: 92.269 ± 0.002°
• Cell volume: 3252.1 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No