Information card for entry 2003703

Structure parameters

• Formula: C36 H44 In K N8 O6 S4
• Calculated formula: C36 H44 In K N8 O6 S4
• SMILES: [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.C(=N[In](N=C=S)(N=C=S)(N=C=S)([n]1ccccc1)[n]1ccccc1)=S.c1ccccn1.c1ccccn1
• Title of publication: Two Anionic Indium(III)‒Thiocyanate Complexes with Potassium-Centred Complex Cations
• Authors of publication: Carmalt, C. J.; Clegg, W.; Elsegood, M. R. J.; Kneisel, B. O.; Norman, N. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1254 - 1258
• a: 8.941 ± 0.002 Å
• b: 9.682 ± 0.002 Å
• c: 13.113 ± 0.003 Å
• α: 87.25 ± 0.03°
• β: 72.33 ± 0.02°
• γ: 89.05 ± 0.02°
• Cell volume: 1080.3 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for all reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.0508
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No