Information card for entry 7203750

Structure parameters

• Common name: (tetraammine-kappa$2!O,O'-((S)-1,1'-bi-2-naphtholate(2- ))cadmium(ii))-bis((S)-1,1'-bi-2-naphthol)hydrate-bis(methanol)
• Chemical name: [tetraammine-κ^2^O,O'-((S)-1,1'-bi-2-naphtholate(2-))cadmium(II)]- bis((S)-1,1'-bi-2-naphthol)hydrate-bis(methanol)
• Formula: C62 H62 Cd N4 O9
• Calculated formula: C62 H62 Cd N4 O9
• SMILES: c1(c(ccc2ccccc12)O)c1c(O)ccc2ccccc12.[Cd]1([NH3])([NH3])([NH3])([NH3])Oc2c(c3c(O1)ccc1ccccc31)c1ccccc1cc2.OC.O.c1(c(ccc2ccccc12)O)c1c(O)ccc2ccccc12.OC
• Title of publication: Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2
• Authors of publication: Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 51
• Pages of publication: 309
• a: 24.024 ± 0.006 Å
• b: 10.689 ± 0.002 Å
• c: 10.982 ± 0.002 Å
• α: 90°
• β: 108.657 ± 0.004°
• γ: 90°
• Cell volume: 2671.9 ± 1 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No