Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7021984
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7021984.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C94 H195 Gd8 N2 O47 P6 |
---|---|
Calculated formula | C94 H195 Gd8 N2 O47 P6 |
SMILES | [Gd]123456(OCC(C)C)[O]7[Gd]89%10%11([O]%12[Gd]%13%14%15%16%17([O]8P8([O]%14[Gd]%14%18%19%20([OH2])([O]%13[Gd]%13%21%22([O]=P%23(O[Gd]%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[Gd]9%12%137([OH2])([O]1P(=[O][Gd]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 | 14.0956 ± 0.0004 Å |
b | 24.0968 ± 0.0007 Å |
c | 26.5567 ± 0.0008 Å |
α | 76.758 ± 0.002° |
β | 74.883 ± 0.002° |
γ | 82.741 ± 0.002° |
Cell volume | 8455.2 ± 0.4 Å3 |
Cell temperature | 150.01 ± 0.16 K |
Ambient diffraction temperature | 150.01 ± 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 | 0.0998 |
Residual factor for significantly intense reflections | 0.064 |
Weighted residual factors for significantly intense reflections | 0.1503 |
Weighted residual factors for all reflections included in the refinement | 0.1717 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7021984.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.