Information card for entry 7706167

Structure parameters

• Formula: C33 H40 Mn N4 O6.5 Si
• Calculated formula: C33 H39 Mn N4 O6.5 Si
• Title of publication: Deciphering supramolecular isomerization in coordination polymers: connected molecular squares <i>vs.</i> fused hexagons.
• Authors of publication: Gupta, Vijay; Laha, Biswajit; Khullar, Sadhika; Mandal, Sanjay K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 2221 - 2232
• a: 9.18 ± 0.03 Å
• b: 14.48 ± 0.05 Å
• c: 14.83 ± 0.05 Å
• α: 100.39 ± 0.05°
• β: 104.09 ± 0.05°
• γ: 99.42 ± 0.05°
• Cell volume: 1836 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.24
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.2472
• Weighted residual factors for all reflections included in the refinement: 0.3151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No