Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4003220
Preview
| Coordinates | 4003220.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MnAQDC |
|---|---|
| Chemical name | 'Mn7(2,7-AQDC)6(2,6-AQDC)(DMA)6' |
| Formula | C136 H96 Mn7 N6 O48 |
| Calculated formula | C136 H96 Mn7 N6 O48 |
| Title of publication | Discovery of a “Bipolar Charging” Mechanism in the Solid-State Electrochemical Process of a Flexible Metal‒Organic Framework |
| Authors of publication | Zhang, Zhongyue; Yoshikawa, Hirofumi; Awaga, Kunio |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2016 |
| Journal volume | 28 |
| Journal issue | 5 |
| Pages of publication | 1298 |
| a | 14.691 ± 0.003 Å |
| b | 14.818 ± 0.003 Å |
| c | 17.713 ± 0.004 Å |
| α | 98.13 ± 0.03° |
| β | 93.1 ± 0.03° |
| γ | 115.29 ± 0.03° |
| Cell volume | 3423 ± 1.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.4365 |
| Residual factor for significantly intense reflections | 0.2141 |
| Weighted residual factors for significantly intense reflections | 0.4587 |
| Weighted residual factors for all reflections included in the refinement | 0.5737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231438 (current) | 2019-11-22 | cif/ Adding structures of 4003220 via cif-deposit CGI script. |
4003220.cif |
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.