Information card for entry 7024137

Structure parameters

• Common name: (K(2,2,2-crypt))4(Zn(P7)2)*6py
• Chemical name: [K(2,2,2-crypt)]4[Zn(P7)2]*6py
• Formula: C102 H174 K4 N14 O24 P14 Zn
• Calculated formula: C102 H174 K4 N14 O24 P14 Zn
• SMILES: P12P3P4P(P1[Zn]13P3P5P1P1P3P1[P-]5)P4[P-]2.c1ccccn1.c1ccccn1.c1ccccn1.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.c1ccccn1.c1ccccn1.c1ccccn1
• 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: 23.6766 ± 0.0002 Å
• b: 74.2498 ± 0.0006 Å
• c: 15.1492 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26632 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No