Information card for entry 2014217

Structure parameters

• Formula: C12 H40 Br4 Ir2 N6 O2 S6
• Calculated formula: C12 H40 Br4 Ir2 N6 O2 S6
• SMILES: C1C[NH2][Ir]234([NH2]CC[S]4[S]4CC[NH2][Ir]564([NH2]CC[S]5[S]12)[NH2]CCS6)SCC[NH2]3.O.[Br-].[Br-].O.[Br-].[Br-]
• Title of publication: Bis(μ-cystamine-κ^4^<i>N</i>,<i>S</i>:<i>S</i>',<i>N</i>')bis[(2-aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)iridium(III)] tetrabromide dihydrate
• Authors of publication: Mitsuharu Fujita; Yoshitaro Miyashita; Nagina Amir; Yasunori Yamada; Kiyoshi Fujisawa; Ken-ichi Okamoto
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m435 - m436
• a: 16.392 ± 0.003 Å
• b: 16.392 ± 0.003 Å
• c: 22.784 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6122 ± 2 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes