Information card for entry 1500006

Structure parameters

• Formula: C11 H21.5 Cl Co N11 O5.25
• Calculated formula: C11 H21.5 Cl Co N11 O5.25
• SMILES: [Co]12(N=N#N)(N=N#N)([NH2]CC[NH2]1)[NH2]CC[NH2]2.c1(C(=O)[O-])c(Cl)cc(N(=O)=O)cc1.O.O
• Title of publication: Capture of aromatic carboxylate anion through second sphere coordination: Topological complementarity of [cis-Co(en)~2~(N~3~)~2~]^+^ and C~7~H~3~ClNO~4~^-^ ions
• Authors of publication: Rajni Sharma; Raj Pal Sharma; Paloth Venugopalan; Miguel Quirós; Juan M. Salas; J. Yu; Y. Du
• Journal of publication: Journal of Molecular Structure
• Year of publication: 2008
• Journal volume: 885
• Pages of publication: 7 - 14
• a: 21.9843 ± 0.0018 Å
• b: 8.7959 ± 0.0007 Å
• c: 23.0121 ± 0.0018 Å
• α: 90°
• β: 116.426 ± 0.001°
• γ: 90°
• Cell volume: 3984.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No