Information card for entry 7052716

Structure parameters

• Formula: C62 H88 N8 O4 Rh4
• Calculated formula: C62 H88 N8 O4 Rh4
• SMILES: c12ccn3[n]2[Rh]245([CH]6=[CH]2CC[CH]4=[CH]5CC6)n2ccc([C@H]4[C@H](c5ccn6[n]5[Rh]578(n9ccc([C@H]%10[C@H]1OC(O%10)(CCC)CCC)[n]9[Rh]19%106[CH]6=[CH]1CC[CH]9=[CH]%10CC6)[CH]1=[CH]5CC[CH]7=[CH]8CC1)OC(O4)(CCC)CCC)[n]2[Rh]1243[CH]3=[CH]1CC[CH]2=[CH]4CC3
• Title of publication: Synthesis, characterization and co-ordination chemistry of dioxolanedipyrazoles
• Authors of publication: Jozak, Thomas; Sun, Yu; Thiel, Werner R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2114
• a: 12.4072 ± 0.0001 Å
• b: 12.4072 ± 0.0001 Å
• c: 39.0374 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6009.36 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No