Information card for entry 2242740

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(μ-1-amidinato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetraisopropylguanidinato-κ^5^<i>N</i>^1^:<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2^,<i>N</i>^4^)dipotassium]-μ-1,2-dimethoxyethane-κ^2^<i>O</i>:<i>O</i>']
• Formula: C32 H68 K2 N8 O2
• Calculated formula: C32 H68 K2 N8 O2
• SMILES: [K]1234[N]5(C(C)C)C(N(C=[N]2C(C)C)C(C)C)=[N]1(C(C)C)[K]512([N]3(C(C)C)C(N(C=[N]2C(C)C)C(C)C)=[N]14C(C)C)[O](C)CC[O](C)[K]1234([N]5(C(C)C)C(N(C=[N]2C(C)C)C(C)C)=[N]1(C(C)C)[K]512[N]3(C(C)C)C(N(C=[N]2C(C)C)C(C)C)=[N]14C(C)C)[O](C)CCOC
• Title of publication: Formation and structural characterization of a potassium amidinoguanidinate
• Authors of publication: Lorenz, Volker; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• Pages of publication: 1795 - 1799
• a: 10.3207 ± 0.0006 Å
• b: 10.5311 ± 0.0006 Å
• c: 11.6703 ± 0.0007 Å
• α: 71.605 ± 0.004°
• β: 64.168 ± 0.004°
• γ: 63.516 ± 0.004°
• Cell volume: 1010.23 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0602
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes