Information card for entry 8102583

Structure parameters

• Common name: [μ-13,27-di-<i>tert</i>-butyl-3,6,9,17,20,23-hexaazatri- cyclo [23,3,1,1^11,15^]triaconta-1(28),11,13,15 (30),25,26-hexaene-29,30-diolato[κ^5^<i>N^3^</i>,<i>N^6^</i>,<i>N^9^</i>,\ <i>O^29^</i>,<i>O^30^</i>:κ^5^<i>N^17^</i>,<i>N^20^</i>,<i>N^23^</i>,\ <i>O^29^</i>,<i>O^30^</i>]bis(thiocyanato-κN)cobalt(II)‒methanol (1:2)
• Chemical name: [μ-13,27-di-<i>tert</i>-butyl-3,6,9,17,20,23-hexaazatri- cyclo [23,3,1,1^11,15^]triaconta-1(28),11,13,15 (30),25,26-hexaene-29,30-diolato[κ^5^<i>N^3^</i>,<i>N^6^</i>,<i>N^9^</i>,\ <i>O^29^</i>,<i>O^30^</i>:κ^5^<i>N^17^</i>,<i>N^20^</i>,<i>N^23^</i>,\ <i>O^29^</i>,<i>O^30^</i>]bis(thiocyanato-κN)cobalt(II)—methanol (1:2)
• Formula: C36 H60 Co2 N8 O4 S2
• Calculated formula: C36 H60 Co2 N8 O4 S2
• Title of publication: Crystal structure of m-13,27-di-tert-butyl-3,6,9,17,20,23-hexaazatricyclo[23,3,1,111,15]triaconta-1(28),11,13,15 (30),25,26-hexaene-29,30-diolato[k5N3,N6,N9,O29,O30:k5N17,N20,N23,O29,O30]bis(thiocyanato-kN)cobalt(II) — methanol (1:2), Co2(C32H52N6O2)(NCS)2 · 2CH3OH
• Authors of publication: Ying-Yin Jiang; Dao-Cheng Xia; Jian-Fang Ma
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 49
• a: 8.458 ± 0.0017 Å
• b: 10.448 ± 0.002 Å
• c: 12.553 ± 0.003 Å
• α: 77.44 ± 0.03°
• β: 79.73 ± 0.03°
• γ: 82.19 ± 0.03°
• Cell volume: 1059.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No