Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4342017
Preview
Coordinates | 4342017.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 Br6 Cu5.39 N8 |
---|---|
Calculated formula | C24 Br6 Cu5.384 N8 |
Title of publication | A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds. |
Authors of publication | Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 2 |
Pages of publication | 554 - 559 |
a | 13.5186 ± 0.0003 Å |
b | 13.5186 ± 0.0003 Å |
c | 13.5186 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2470.56 ± 0.09 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298.15 K |
Number of distinct elements | 4 |
Space group number | 229 |
Hermann-Mauguin space group symbol | I m -3 m |
Hall space group symbol | -I 4 2 3 |
Residual factor for all reflections | 0.0582 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1279 |
Weighted residual factors for all reflections included in the refinement | 0.1325 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.214 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179523 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20. |
4342017.cif |
130511 | 2015-02-04 | cif/ Updating files of 4342013, 4342014, 4342015, 4342016, 4342017, 4342018, 4342019, 4342020 Original log message: Adding full bibliography for 4342013--4342020.cif. |
4342017.cif |
129159 | 2014-12-30 | cif/ Adding structures of 4342013, 4342014, 4342015, 4342016, 4342017, 4342018, 4342019, 4342020 via cif-deposit CGI script. |
4342017.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.