Information card for entry 7041326

Structure parameters

• Formula: C73 H66 Cl6 O27 Zn3
• Calculated formula: C73 H53 Cl6 O27 Zn3
• Title of publication: Halochromic coordination polymers based on a triarylmethane dye for reversible detection of acids.
• Authors of publication: Zavakhina, Marina S.; Yushina, Irina V.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.; Argent, Stephen P.; Blake, Alexander J.; Schröder, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 465 - 470
• a: 36.5743 ± 0.0005 Å
• b: 36.5743 ± 0.0005 Å
• c: 52.9725 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 70860 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.2346
• Residual factor for significantly intense reflections: 0.2093
• Weighted residual factors for significantly intense reflections: 0.4662
• Weighted residual factors for all reflections included in the refinement: 0.489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.782
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No