Information card for entry 7004303

Structure parameters

• Formula: C36 H38 Cl2 Co2 N8 O4
• Calculated formula: C36 H38 Cl2 Co2 N8 O4
• SMILES: [Co]12(Cl)[n]3n(c(C)cc3C)C(n3[n]1c(cc3C)C)c1cccc(c1)C(=O)O[Co]1(Cl)[n]3n(c(C)cc3C)C(n3[n]1c(cc3C)C)c1cccc(c1)C(=O)O2
• Title of publication: Nickel(ii), copper(ii), and cobalt(ii) solid-state structures formed through hydrogen bonding with ditopic heteroscorpionate ligands
• Authors of publication: Santillan, Guillermo A.; Carrano, Carl J.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 30
• Pages of publication: 3995 - 4005
• a: 16.009 ± 0.008 Å
• b: 14.69 ± 0.007 Å
• c: 17.066 ± 0.008 Å
• α: 90°
• β: 109.45 ± 0.02°
• γ: 90°
• Cell volume: 3784 ± 3 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 6
• 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: 0.1548
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No