Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4328775
Preview
Coordinates | 4328775.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C120 H120 N48 O20 P8 Zn6 |
---|---|
Calculated formula | C120 H120 N48 O20 P8 Zn6 |
SMILES | c1ccc2c[n]1[Zn]13([n]4cccc(NP5(=O)Nc6ccc[n](c6)[Zn]67([n]8cccc(NP(=O)(N2)Nc2ccc[n](c2)[Zn]29([n]%10cccc(c%10)NP%10(=O)Nc%11ccc[n](c%11)[Zn]%11([OH2])([OH2])([n]%12cccc(NP(=O)(Nc%13ccc[n]2c%13)Nc2ccc[n]7c2)c%12)[n]2cccc(c2)NP2(=O)Nc7ccc[n](c7)[Zn]([n]7cccc(c7)NP(=O)(Nc7ccc[n](c7)[Zn]([n]7cccc(c7)N5)([OH2])([OH2])([n]5cccc(N2)c5)[n]2cccc(c2)NP(=O)(Nc2ccc[n]6c2)Nc2ccc[n]%11c2)Nc2ccc[n]3c2)([n]2cccc(N%10)c2)([OH2])([OH2])[n]2cccc(c2)NP(=O)(Nc2ccc[n]1c2)Nc1ccc[n]9c1)([OH2])[OH2])c8)([OH2])[OH2])c4)([OH2])[OH2] |
Title of publication | Self-Assembly of Discrete M6L8 Coordination Cages Based on a Conformationally Flexible Tripodal Phosphoric Triamide Ligand |
Authors of publication | Xing-Jun Li; Fei-Long Jiang; Ming-Yan Wu; Shu-Quan Zhang; You-Fu Zhou; Mao-Chun Hong |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 4116 - 4122 |
a | 45.239 ± 0.002 Å |
b | 45.239 ± 0.002 Å |
c | 45.239 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 92585 ± 7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 220 |
Hermann-Mauguin space group symbol | I -4 3 d |
Hall space group symbol | I -4bd 2c 3 |
Residual factor for all reflections | 0.1 |
Residual factor for significantly intense reflections | 0.093 |
Weighted residual factors for significantly intense reflections | 0.2661 |
Weighted residual factors for all reflections included in the refinement | 0.2756 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 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/4328775.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.