Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4309309
Preview
Coordinates | 4309309.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H35 Li N4 O14 P Y |
---|---|
Calculated formula | C15 H35 Li N4 O14 P Y |
SMILES | [Y]1234567[N]8(CC[N]1(CC[N]2(CC[N]3(CC8)CC(=O)O7)CC(=[O][Li]([OH2])([OH2])[OH2])O6)CC(=O)O5)CP(=O)(O4)O.O.O |
Title of publication | Crystal Structures of Lanthanide(III) Complexes with Cyclen Derivative Bearing Three Acetate and One Methylphosphonate Pendants |
Authors of publication | Pavel Vojtíšek; Petr Cígler; Jan Kotek; Jakub Rudovský; Petr Hermann; Ivan Lukeš |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 5591 - 5599 |
a | 12.711 ± 0.0002 Å |
b | 13.259 ± 0.0002 Å |
c | 15.009 ± 0.0003 Å |
α | 90° |
β | 93.298 ± 0.0011° |
γ | 90° |
Cell volume | 2525.35 ± 0.07 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0473 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0634 |
Weighted residual factors for all reflections included in the refinement | 0.0688 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/4309309.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.