Information card for entry 2211617

Structure parameters

• Chemical name: Tetra-μ-acetato-κ^4^O:O';κ^3^O,O':O';κ^3^O:O,O'- bis[(acetato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')holmium(III)]
• Formula: C36 H34 Ho2 N4 O12
• Calculated formula: C36 H34 Ho2 N4 O12
• SMILES: c12ccc[n]3[Ho]45678([O]=C(O4)C)([O]=C(O[Ho]49%10([n]%11cccc%12ccc%13ccc[n]4c%13c%11%12)([O]=C(O9)C)([O]=C([O]7%10)C)([O]6C(=[O]5)C)[O]=C(O8)C)C)[n]4cccc(cc2)c4c13
• Title of publication: Tetra-μ-acetato-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')holmium(III)]
• Authors of publication: Hu, Xue-Lei; Qiu, Li; Sun, Wen-Bing; Chen, Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3213 - m3214
• a: 8.717 ± 0.004 Å
• b: 8.926 ± 0.004 Å
• c: 12.914 ± 0.006 Å
• α: 103.318 ± 0.007°
• β: 109.007 ± 0.006°
• γ: 98.38 ± 0.007°
• Cell volume: 897.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0798
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes