Information card for entry 7006133

Structure parameters

• Formula: C144 H150 F18 N12 O30 Rh6 S6
• Calculated formula: C144 H150 F18 N12 O30 Rh6 S6
• SMILES: C12=[O][Rh]34567([n]8ccc(cc8)c8nc9nc(n8)c8cc[n](cc8)[Rh]8%10%11%12%13([O]=C%14C(O8)=[O][Rh]8%15%16%17([n]%18ccc(c%19nc(c%20cc[n](cc%20)[Rh]%20%21%22%23(O2)([O]=C1O3)[c]1([c]%20([c]%21([c]%22([c]%231C)C)C)C)C)nc(c1cc[n](cc1)[Rh]123%20%21([O]=C%22C(O1)=[O][Rh]1%23%24%25([n]%26ccc9cc%26)(O%22)[c]9([c]1([c]%23([c]%24([c]%259C)C)C)C)C)[c]1([c]%21([c]%20([c]3([c]21C)C)C)C)C)n%19)cc%18)(O%14)[c]1([c]8([c]%15([c]%16([c]%171C)C)C)C)C)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(S(=O)(=O)[O-])F.FC(F)(F)S(=O)(=O)[O-].c1ccccc1.c1ccccc1.c1ccccc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Chiral or not chiral? A case study of the hexanuclear metalloprisms [Cp(6)M(6)(micro(3)-tpt-kappaN)(2)(micro-C2O4-kappaO)(3)]6+ (M = Rh, Ir, tpt = 2,4,6-tri(pyridin-4-yl)-1,3,5-triazine).
• Authors of publication: Govindaswamy, Padavattan; Linder, David; Lacour, Jérôme; Süss-Fink, Georg; Therrien, Bruno
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 39
• Pages of publication: 4457 - 4463
• a: 25.082 ± 0.002 Å
• b: 20.0295 ± 0.0016 Å
• c: 33.218 ± 0.002 Å
• α: 90°
• β: 110.095 ± 0.006°
• γ: 90°
• Cell volume: 15672 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2556
• Residual factor for significantly intense reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.2626
• Weighted residual factors for all reflections included in the refinement: 0.3246
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No