Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4310900
Preview
Coordinates | 4310900.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Mn(PaPy3)Cl]ClO4.2CH3CN |
---|---|
Formula | C24 H26 Cl2 Mn N7 O5 |
Calculated formula | C24 H26 Cl2 Mn N7 O5 |
SMILES | [Mn]1234(Cl)[n]5ccccc5C(=O)N1CC[N]2(Cc1[n]3cccc1)Cc1[n]4cccc1.CC#N.C(#N)C.Cl(=O)(=O)(=O)[O-] |
Title of publication | Reactions of NO with Mn(II) and Mn(III) Centers Coordinated to Carboxamido Nitrogen: Synthesis of a Manganese Nitrosyl with Photolabile NO |
Authors of publication | Kaushik Ghosh; Aura A. Eroy-Reveles; Belem Avila; Theodore R. Holman; Marilyn M. Olmstead; Pradip K. Mascharak |
Journal of publication | Inorganic Chemistry |
Year of publication | 2004 |
Journal volume | 43 |
Pages of publication | 2988 - 2997 |
a | 8.5142 ± 0.0019 Å |
b | 14.365 ± 0.003 Å |
c | 11.451 ± 0.003 Å |
α | 90° |
β | 99.483 ± 0.006° |
γ | 90° |
Cell volume | 1381.4 ± 0.6 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0211 |
Residual factor for significantly intense reflections | 0.0204 |
Weighted residual factors for significantly intense reflections | 0.0562 |
Weighted residual factors for all reflections included in the refinement | 0.0565 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/4310900.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.