Information card for entry 7125570

Structure parameters

• Formula: C132 H168 Na6 O36 Sb6
• Calculated formula: C132 H168 Na6 O36 Sb6
• SMILES: c12c(cccc1C)[O]1[Na]34([O]5CCCC5)([O]5CCCC5)[O]5c6c(cccc6C)[O]6[Na]7([O]8CCCC8)([O]8CCCC8)([O]2[Sb]156)[O]1c2c(c(ccc2)C)[O]2[Na]5([O]6CCCC6)([O]6CCCC6)([O]6c8c(c(ccc8)C)[O]7[Sb]126)Oc1c(cccc1C)[O]1[Na]2([O]6CCCC6)([O]6CCCC6)([O]6c7c(c(ccc7)C)[O]7[Na]8([O]9CCCC9)([O]9CCCC9)([O](c9c(c(ccc9)C)O2)[Sb]67)[O]2c6c(c(ccc6)C)[O]6[Na]7([O]9c%10c(cccc%10C)[O]3[Sb]39[O]7c7c(c(ccc7)C)[O]43)([O]3CCCC3)([O]3CCCC3)[O](c3c(c(ccc3)C)O8)[Sb]26)[O]2c3c(cccc3C)[O]5[Sb]12
• Title of publication: A twenty-four membered mixed-metal macrocycle; synthesis and structure of cyclo-[(3-Me-1,2-C6H3O2)2SbNa(THF)2]6.
• Authors of publication: Paver, Michael A.; Joy, Jonathan S.; Hursthouse, Michael B.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 2150 - 2151
• a: 15.7605 ± 0.0012 Å
• b: 16.6786 ± 0.0013 Å
• c: 17.2709 ± 0.0016 Å
• α: 103.943 ± 0.004°
• β: 100.057 ± 0.004°
• γ: 98.356 ± 0.004°
• Cell volume: 4254.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1997
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2511
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No