Information card for entry 7024139

Structure parameters

• Common name: (K(2,2,2-crypt))2(P7In(C6H5)2)
• Chemical name: [K(2,2,2-crypt)]2[P7In(C6H5)2]
• Formula: C48 H82 In K2 N4 O12 P7
• Calculated formula: C48 H82 In K2 N4 O12 P7
• SMILES: P12P3P4P(P1[In]3(c1ccccc1)c1ccccc1)P4[P]2.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9
• Title of publication: Reactivity studies of group 15 Zintl ions towards homoleptic post-transition metal organometallics: a 'bottom-up' approach to bimetallic molecular clusters.
• Authors of publication: Knapp, Caroline; Zhou, Binbin; Denning, Mark S.; Rees, Nicholas H.; Goicoechea, Jose M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 426 - 436
• a: 11.4911 ± 0.0001 Å
• b: 24.2435 ± 0.0002 Å
• c: 22.4105 ± 0.0002 Å
• α: 90°
• β: 92.211 ± 0.001°
• γ: 90°
• Cell volume: 6238.57 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No