Information card for entry 2210842

Structure parameters

• Chemical name: Acetato[μ-10,21-dibutyl-3,6,14,17-tetrazatricyclo[17.3.1.1^(8,12)^]tetracosa- 1(23),2,6,8,10,12(24),13,17,19,21-decaene-23,24-diolato(2-)- κ^4^N^3^,N^6^,O^23^,O^24^:κ^4^N^14^,N^17^,O^23^,O^24^]dinickel(II) perchlorate acetonitrile hemisolvate
• Formula: C31 H38.5 Cl N4.5 Ni2 O8
• Calculated formula: C31 H38.5 Cl N4.5 Ni2 O8
• Title of publication: Acetato[μ-10,21-dibutyl-3,6,14,17-tetrazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),2,6,8,10,12(24),13,17,19,21-decaene-23,24-diolato(2‒)-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>O</i>^23^,<i>O</i>^24^:κ^4^<i>N</i>^14^,<i>N</i>^17^,<i>O</i>^23^,<i>O</i>^24^]dinickel(II) perchlorate acetonitrile hemisolvate
• Authors of publication: Hong Zhou; Zhi-Quan Pan; Yan-Jiao Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2442 - m2444
• a: 31.353 ± 0.002 Å
• b: 11.2316 ± 0.0007 Å
• c: 21.2808 ± 0.0014 Å
• α: 90°
• β: 116.875 ± 0.001°
• γ: 90°
• Cell volume: 6684.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.06
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes