Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4509540
Preview
Coordinates | 4509540.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C73 H102.5 Mn6 N6 Na O20.75 |
---|---|
Calculated formula | C73 H96 Mn6 N6 Na O20.75 |
SMILES | c12ccc(cc1C[N]13CC[O]45[Mn]673(O2)[O](CC1)[Mn]1238[N](Cc9c(O1)ccc(c9)C)(CC[O]721)CC[O]3[Mn]2379[O]8%10CC[N]7(Cc7c(O3)ccc(c7)C)CC[O]9[Mn]3789[N](Cc%11c(ccc(c%11)C)O8)(CC[O]238)CC[O]9[Mn]239%11[N](Cc%12c(O9)ccc(c%12)C)(CC[O]729)CC[O]3[Mn]2374[N](Cc4c(O7)ccc(c4)C)(CC[O]2%11[Na]5189%10)CC[O]63)C.O.CO.O |
Title of publication | Syntheses, Crystal Structures, and Magnetic Properties of Two Cyclic Clusters Comprising Six Iron(III)/Manganese(III) Ions and Entrapping Sodium Ions |
Authors of publication | Yang, Pei-Pei; Song, Hai-Bin; Gao, Xi-Feng; Li, Li-Cun; Liao, Dai-Zheng |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 9 |
Pages of publication | 4064 |
a | 19.373 ± 0.004 Å |
b | 22.202 ± 0.004 Å |
c | 21.804 ± 0.004 Å |
α | 90° |
β | 105.66 ± 0.03° |
γ | 90° |
Cell volume | 9030 ± 3 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1459 |
Residual factor for significantly intense reflections | 0.1026 |
Weighted residual factors for significantly intense reflections | 0.2589 |
Weighted residual factors for all reflections included in the refinement | 0.2944 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4509540.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.