Information card for entry 7223526

Structure parameters

• Formula: C42 H30 Co3 N6 O12 S3
• Calculated formula: C42 H30 Co3 N6 O12 S3
• Title of publication: From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation
• Authors of publication: Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 384
• a: 10.947 ± 0.002 Å
• b: 11.0433 ± 0.0016 Å
• c: 17.924 ± 0.004 Å
• α: 99.305 ± 0.015°
• β: 96.75 ± 0.017°
• γ: 90.261 ± 0.013°
• Cell volume: 2122.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.3281
• Residual factor for significantly intense reflections: 0.2028
• Weighted residual factors for significantly intense reflections: 0.4767
• Weighted residual factors for all reflections included in the refinement: 0.5315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No