Information card for entry 7706169

Structure parameters

• Formula: C67 H72 Mn2 N6 O11 Si2
• Calculated formula: C67 H69 Mn2 N6 O11 Si2
• 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: 29.443 ± 0.004 Å
• b: 14.253 ± 0.002 Å
• c: 15.491 ± 0.002 Å
• α: 90°
• β: 99.57 ± 0.004°
• γ: 90°
• Cell volume: 6410.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No