Information card for entry 4311079

Structure parameters

• Formula: C125 H99 Ag6 Cl2 Cu2 N O8 P6
• Calculated formula: C125 H99 Ag6 Cl2 Cu2 N O8 P6
• SMILES: [Ag]12[P](c3ccccc3)(c3ccccc3)C[P](c3ccccc3)(c3ccccc3)[Ag]3456[Cu]789%101[Ag]1([P](c%11ccccc%11)(c%11ccccc%11)C[P](c%11ccccc%11)(c%11ccccc%11)[Ag]%11%12[Cu]%13%14%155([Ag]59([P](c9ccccc9)(c9ccccc9)C[P](c9ccccc9)(c9ccccc9)[Ag]%13([N]#CC)([C]3%145#Cc3ccccc3)[C]%12%15#Cc3ccccc3)([C]47#Cc3ccccc3)[C]81#Cc1ccccc1)[C]6%11#Cc1ccccc1)[C]2%10#Cc1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Luminescent AgI-CuI Heterometallic Hexa-, Octa-, and Hexadecanuclear Alkynyl Complexes
• Authors of publication: Qiao-Hua Wei; Gang-Qiang Yin; Li-Yi Zhang; Lin-Xi Shi; Zong-Wan Mao; Zhong-Ning Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3484 - 3491
• a: 11.9077 ± 0.0002 Å
• b: 33.3697 ± 0.0004 Å
• c: 28.8849 ± 0.0002 Å
• α: 90°
• β: 96.05 ± 0.001°
• γ: 90°
• Cell volume: 11413.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No