Information card for entry 7204640

Structure parameters

• Formula: C18 H15 Cr N12 O4 S
• Calculated formula: C18 H12 Cr N12 O4 S
• SMILES: [Cr]123([n]4c(c5[n]1ccn5)ncc4)([n]1ccnc1c1[n]3ccn1)[n]1c(c3[n]2ccn3)ncc1.S(=O)(=O)([O-])[O-]
• Title of publication: A (10,3)-b net by sulfate hydrogen-bonded biimidazolate complexes
• Authors of publication: Krister Larsson; Lars Öhrström
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 38
• Pages of publication: 222 - 225
• a: 12.8274 ± 0.0007 Å
• b: 12.8274 ± 0.0007 Å
• c: 14.2567 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2345.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.924 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No