Information card for entry 7008784

Structure parameters

• Formula: C324 H268 Cl8 N13 O24 P12 Rh12
• Calculated formula: C324 H260 Cl8 N13 O24 P12 Rh12
• SMILES: [Rh]1234([Rh]5([P](c6c4cccc6)(c4ccccc4)c4ccccc4)([O]=C(O2)c2cc4cc(c2)C2=[O][Rh]678([Rh]([P](c9c8cccc9)(c8ccccc8)c8ccccc8)([O]=C(O7)c7cc8cc(c7)C7=[O][Rh]9%10%11([Rh]([P](c%12c%11cccc%12)(c%11ccccc%11)c%11ccccc%11)(O7)([O]=C(O%10)c7cc(cc(c7)C7=[O][Rh]%10%11%12([Rh]([P](c%13c%12cccc%13)(c%12ccccc%12)c%12ccccc%12)(O7)([O]=C(O%11)c7cc(cc(c7)C7=[O][Rh]%11%12%13([Rh]([P](c%14c%13cccc%14)(c%13ccccc%13)c%13ccccc%13)([O]=C8O%12)(O7)(c7c([P]%11(c8ccccc8)c8ccccc8)cccc7)[n]7ccccc7)[n]7ccccc7)C(=[O]3)O5)(c3c([P]%10(c5ccccc5)c5ccccc5)cccc3)[n]3ccccc3)[n]3ccccc3)C3=[O][Rh]578([Rh]([P](c%10c8cccc%10)(c8ccccc8)c8ccccc8)(O3)([O]=C4O7)(c3c([P]5(c4ccccc4)c4ccccc4)cccc3)[n]3ccccc3)[n]3ccccc3)(c3c([P]9(c4ccccc4)c4ccccc4)cccc3)[n]3ccccc3)[n]3ccccc3)(O2)(c2c([P]6(c3ccccc3)c3ccccc3)cccc2)[n]2ccccc2)[n]2ccccc2)(c2c([P]1(c1ccccc1)c1ccccc1)cccc2)[n]1ccccc1)[n]1ccccc1.[N+](CC)(CC)(CC)CC.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Deliberate synthesis of the preselected enantiomer of an enantiorigid molecule with pure rotational symmetry T.
• Authors of publication: Cotton, F. Albert; Murillo, Carlos A.; Yu, Rongmin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 19
• Pages of publication: 3161 - 3165
• a: 28.9 ± 0.015 Å
• b: 23.14 ± 0.011 Å
• c: 32.715 ± 0.016 Å
• α: 90°
• β: 101.917 ± 0.009°
• γ: 90°
• Cell volume: 21407 ± 18 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2454
• Residual factor for significantly intense reflections: 0.1858
• Weighted residual factors for significantly intense reflections: 0.4223
• Weighted residual factors for all reflections included in the refinement: 0.4582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.467
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No