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Information card for entry 7021985
Preview
Coordinates | 7021985.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C94 H195 N2 O47 P6 Tb8 |
---|---|
Calculated formula | C94 H195 N2 O47 P6 Tb8 |
SMILES | [Tb]123456(OCC(C)C)[O]7[Tb]89%10%11([O]%12[Tb]%13%14%15%16%17([O]8P8([O]%14[Tb]%14%18%19%20([OH2])([O]%13[Tb]%13%21%22([O]=P%23(O[Tb]%24%25([O]=C(O%25)C(C)(C)C)([O]=P(O%13)([O]%18%21)C(C)(C)C)([O]%14%23)([O]%20C(=[O]%19)C(C)(C)C)OC(=[O]%24)C(C)(C)C)C(C)(C)C)([O]=C(O%15)C(C)(C)C)([O]%17C(=[O]%16)C(C)(C)C)OC(=[O]%22)C(C)(C)C)[O]=P%12([O]9[Tb]9%12%137([OH2])([O]1P(=[O][Tb]17%14(OP(=[O]2)([O]91)C(C)(C)C)([O]=C(O7)C(C)(C)C)(OC(=[O]%14)C(C)(C)C)[O]%12C(=[O]%13)C(C)(C)C)(O5)C(C)(C)C)[O]=8)C(C)(C)C)C(C)(C)C)[O]%11C(=[O]%10)C(C)(C)C)([O]4C(=[O]3)C(C)(C)C)[O]=C(O6)C(C)(C)C.[NH3+]C(C)C.[NH3+]C(C)C |
Title of publication | Octametallic 4f-phosphonate horseshoes. |
Authors of publication | Zangana, Karzan H.; Pineda, Eufemio Moreno; Schnack, Jürgen; Winpenny, Richard E. P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 39 |
Pages of publication | 14045 - 14048 |
a | 14.0342 ± 0.0007 Å |
b | 24.0928 ± 0.0011 Å |
c | 26.4594 ± 0.0012 Å |
α | 76.727 ± 0.004° |
β | 75.084 ± 0.004° |
γ | 82.955 ± 0.004° |
Cell volume | 8394.9 ± 0.7 Å3 |
Cell temperature | 150.05 ± 0.16 K |
Ambient diffraction temperature | 150.05 ± 0.16 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1687 |
Residual factor for significantly intense reflections | 0.0782 |
Weighted residual factors for significantly intense reflections | 0.1568 |
Weighted residual factors for all reflections included in the refinement | 0.2034 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
Diffraction radiation wavelength | 0.7107 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/7021985.html
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