Information card for entry 2232495

Structure parameters

• Common name: Cr-F-Nd square
• Chemical name: <i>cyclo</i>-Tetra-μ-fluorido-1:2κ^2^<i>F</i>;2:3κ^2^<i>F</i>; 3:4κ^2^<i>F</i>;1:4κ^2^<i>F</i>-octanitrato-1κ^8^<i>O</i>,<i>O</i>'; 3κ^8^<i>O</i>,<i>O</i>'-tetrakis(1,10-phenanthroline)- 2κ^4^<i>N</i>,<i>N</i>';4κ^4^<i>N</i>,<i>N</i>'-2,4-dichromium(III)- 1,3-dineodymium(III) methanol tetrasolvate monohydrate
• Formula: C52 H50 Cr2 F4 N16 Nd2 O29
• Calculated formula: C52 H48 Cr2 F4 N16 Nd2 O29
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Cr]124([F][Nd]3456(ON(=[O]3)=O)(ON(=[O]4)=O)([F][Cr]34([F][Nd]789%10([F]1)(ON(=[O]7)=O)(ON(=[O]8)=O)(ON(=[O]9)=O)ON(=[O]%10)=O)([n]1cccc7ccc8ccc[n]3c8c17)[n]1cccc3ccc7ccc[n]4c7c13)(ON(=[O]5)=O)ON(=[O]6)=O)[n]1cccc3ccc4ccc[n]2c4c13.CO.O.CO.CO.CO
• Title of publication: <i>cyclo</i>-Tetra-μ-fluorido-1:2κ^2^<i>F</i>;2:3κ^2^<i>F</i>;3:4κ^2^<i>F</i>;1:4κ^2^<i>F</i>-octanitrato-1κ^8^<i>O</i>,<i>O</i>';3κ^8^<i>O</i>,<i>O</i>'-tetrakis(1,10-phenanthroline)-2κ^4^<i>N</i>,<i>N</i>';4κ^4^<i>N</i>,<i>N</i>'-2,4-dichromium(III)-1,3-dineodymium(III) methanol tetrasolvate monohydrate
• Authors of publication: Birk, Torben; Schau-Magnussen, Magnus; Weyhermüller, Thomas; Bendix, Jesper
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1561 - m1562
• a: 17.632 ± 0.004 Å
• b: 17.632 ± 0.004 Å
• c: 20.955 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6515 ± 2 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 7
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.265
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes