Information card for entry 7024970

Structure parameters

• Formula: C132 H122 Cl42 Co16 N22 O40 P2
• Calculated formula: C132 H122 Cl42 Co16 N22 O40 P2
• SMILES: c1(cccc(n1)Cl)[O]1[Co]23([O]=P4([O]5[Co]6789[OH]%10[Co]%11%121[n]1c(O[Co]%10([n]%10c(cccc%10Cl)[O]7[Co]7%10([n]%13c([O]%117)cccc%13Cl)([n]7c(cccc7Cl)[O]2%12)[OH]6[Co]2([n]6c(cccc6Cl)O%10)[OH]6[Co]75([n]5c(cccc5Cl)[O]97)[n]5c(cccc5Cl)O[Co]56(Oc6cccc([n]26)Cl)(O4)[n]2c(cccc2[O]5[Co]24([O]=P5(C6=CCCCC6)[O]6[Co]79%10%11[OH]%12[Co]%13%14([n]%15c(O[Co]%12([n]%12c(cccc%12Cl)[O]9[Co]9%12([n]%16c([O]%139)cccc%16Cl)([n]9c(cccc9Cl)[O]4%14)[OH]7[Co]4([n]7c(cccc7Cl)O%12)[OH]7[Co]96([n]6c(cccc6Cl)[O]%119)[n]6c(cccc6Cl)O[Co]67(O5)([n]5c(cccc5Cl)[O]36)Oc3cccc([n]43)Cl)[n]3c(cccc3Cl)O%10)cccc%15Cl)[O]2c2cccc(n2)Cl)([OH2])[OH2])Cl)[n]2c(cccc2Cl)O8)cccc1Cl)C1=CCCCC1)([OH2])[OH2].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.O.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.O
• Title of publication: Synthesis and structural and magnetic characterization of a hexadecanuclear cobalt phosphonate compound.
• Authors of publication: Ma, Yun-Sheng; Song, You; Tang, Xiao-Yan; Yuan, Rong-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 27
• Pages of publication: 6262 - 6265
• a: 14.783 ± 0.003 Å
• b: 15.607 ± 0.003 Å
• c: 21.545 ± 0.004 Å
• α: 98.12 ± 0.03°
• β: 101.56 ± 0.03°
• γ: 93.29 ± 0.03°
• Cell volume: 4802.3 ± 1.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1257
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No