Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4320045
Preview
Coordinates | 4320045.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | DPA [Ga-OH-Ru-CO] |
---|---|
Formula | C87 H95 Ga N8 O4 Ru |
Calculated formula | C87 H94 Ga N8 O4 Ru |
SMILES | [Ru]1234(n5c6=C(c7cccc8cc9cccc(C%10=c%11n%12[Ga]%13%14([N]%15=C(C=c%12c(c%11C)CC)C(C)=C(CC)C%15=Cc%11n%13c(c(c%11CC)C)C=C%11[N]%14=C%10C(=C%11CC)C)[OH]4)c9cc78)C4=[N]3C(=Cc3n2c(C=C2[N]1=C(C=c5c(c6C)CC)C(C)=C2CC)c(CC)c3C)C(CC)=C4C)C#[O].O1CCCC1.O1CCCC1 |
Title of publication | Preparation, Characterization, and Luminescence Properties of Gallium-Metal Face-to-Face Diporphyrins (M = H2, GaL, Ru(CO)(OH), Co) |
Authors of publication | Pierre D. Harvey; Nathalie Proulx; Geneviève Martin; Marc Drouin; Daniel J. Nurco; Kevin M. Smith; Frédéric Bolze; Claude P. Gros; Roger Guilard |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 4134 - 4142 |
a | 22.124 ± 0.003 Å |
b | 11.6623 ± 0.0011 Å |
c | 30.112 ± 0.005 Å |
α | 90° |
β | 110.932 ± 0.011° |
γ | 90° |
Cell volume | 7256.7 ± 1.8 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1929 |
Residual factor for significantly intense reflections | 0.0838 |
Weighted residual factors for significantly intense reflections | 0.1769 |
Weighted residual factors for all reflections included in the refinement | 0.2339 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4320045.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.