Information card for entry 7244015

Structure parameters

• Formula: C122 H80.1 Cl1.2 Cu3 F36 N9 O12
• Calculated formula: C117.8 H75.3 Cl1.2 Cu3 F36 N9 O12
• Title of publication: Stars and stripes: hexatopic tris(3,2′:6′,3′′-terpyridine) ligands that unexpectedly form one-dimensional coordination polymers
• Authors of publication: Manfroni, Giacomo; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 491 - 503
• a: 19.889 ± 0.004 Å
• b: 21.178 ± 0.004 Å
• c: 34.375 ± 0.007 Å
• α: 90°
• β: 104.32 ± 0.03°
• γ: 90°
• Cell volume: 14029 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2092
• Residual factor for significantly intense reflections: 0.1912
• Weighted residual factors for significantly intense reflections: 0.4998
• Weighted residual factors for all reflections included in the refinement: 0.5408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.72083 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No