Information card for entry 7223528

Structure parameters

• Formula: C37 H47 Co2 N7 O14 S2
• Calculated formula: C37 H47 Co2 N7 O14 S2
• 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: 10.5028 ± 0.0002 Å
• b: 13.3758 ± 0.0003 Å
• c: 17.9703 ± 0.0003 Å
• α: 78.0998 ± 0.0015°
• β: 75.4371 ± 0.0016°
• γ: 71.7708 ± 0.0018°
• Cell volume: 2298.34 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No