Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2232835
Preview
| Coordinates | 2232835.cif |
|---|---|
| Structure factors | 2232835.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (Nitrato-κ<i>O</i>){<i>N</i>,<i>N</i>,<i>N'</i>,<i>N'</i>-tetrakis[(1<i>H</i>- benzimidazol-2-yl-κ<i>N</i>^3^)methyl]cyclohexane-1,2-diamine}lead(II) hemiaqua{<i>N</i>,<i>N</i>,<i>N'</i>,<i>N'</i>-tetrakis[(1<i>H</i>- benzimidazol-2-yl-κ<i>N</i>^3^)methyl]cyclohexane-1,2-diamine}lead(II) trinitrate dihydrate |
|---|---|
| Formula | C76 H81 N24 O14.5 Pb2 |
| Calculated formula | C76 H81 N24 O14.5 Pb2 |
| Title of publication | (Nitrato-κ<i>O</i>){<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]cyclohexane-1,2-diamine}lead(II) hemiaqua{<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]cyclohexane-1,2-diamine}lead(II) trinitrate dihydrate |
| Authors of publication | Xiao, Zuo-an; Jiang, Ting-ting |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1854 - m1855 |
| a | 12.5485 ± 0.0008 Å |
| b | 18.5378 ± 0.0011 Å |
| c | 19.2839 ± 0.0012 Å |
| α | 64.516 ± 0.001° |
| β | 81.957 ± 0.002° |
| γ | 79.675 ± 0.001° |
| Cell volume | 3973.9 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.072 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.1008 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2232835.cif 2232835.hkl |
| 181250 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/28. |
2232835.cif 2232835.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232835.cif 2232835.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232835.cif 2232835.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232835.cif 2232835.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232835.cif 2232835.hkl |
| 31716 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232835 via cif-deposit CGI script. |
2232835.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.