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Information card for entry 7039416
Preview
Coordinates | 7039416.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H86 B40 Co2 O13 |
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Calculated formula | C32 H86 B40 Co2 O13 |
SMILES | C(=O)(O[Co]12([O]=C([C]3456[C]789(C)[BH]%10%113[BH]3%124[BH]4%135[BH]567[BH]67%13[BH]%13%124[BH]4%103[BH]37%13[BH]856[BH]9%1143)O[Co]([OH2]2)(OC(=O)[C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[BH]4%13%11[BH]%11%102[BH]269[BH]697[BH]34([C]58%126C)[BH]%13%1129)([O]=C(O1)[C]1234[C]567(C)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]281[BH]179[BH]634[BH]5%1121)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1)[C]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]3%12%10[BH]%1091[BH]158[BH]586[BH]23([C]47%115C)[BH]%12%1018 |
Title of publication | Carving a 1D Co(II)-carboranylcarboxylate system by using organic solvents to create stable trinuclear molecular analogues: complete structural and magnetic studies. |
Authors of publication | Fontanet, Mònica; Rodríguez, Montserrat; Fontrodona, Xavier; Romero, Isabel; Teixidor, Francesc; Viñas, Clara; Aliaga-Alcalde, Núria |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 27 |
Pages of publication | 10916 - 10927 |
a | 12.392 ± 0.005 Å |
b | 22.83 ± 0.01 Å |
c | 23.802 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6734 ± 5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0983 |
Residual factor for significantly intense reflections | 0.0636 |
Weighted residual factors for significantly intense reflections | 0.1888 |
Weighted residual factors for all reflections included in the refinement | 0.2183 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7039416.html
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