Information card for entry 1508199

Structure parameters

• Formula: C16 H80 Cl3 Mn2 N8 Na3 O75 Se2 W19
• Calculated formula: C12 Cl1.5 Mn2 N6 O71.7 Se2 W19
• Title of publication: Integrated 3D-printed reactionware for chemical synthesis and analysis.
• Authors of publication: Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy
• Journal of publication: Nature chemistry
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 349 - 354
• a: 36.022 ± 0.003 Å
• b: 20.6218 ± 0.0013 Å
• c: 17.8132 ± 0.0013 Å
• α: 90°
• β: 110.322 ± 0.005°
• γ: 90°
• Cell volume: 12408.7 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No