Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4310251
Preview
Coordinates | 4310251.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H114 I Mo6 N3 O24 |
---|---|
Calculated formula | C50 H114 I Mo6 N3 O24 |
Title of publication | Methoxide of an Anderson-Type Polyoxometalate and Its Conversion to a New Type of Species, [IMo9O32(OH)(OH2)3]4- |
Authors of publication | Daisuke Honda; Tomoji Ozeki; Atsushi Yagasaki |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 9616 - 9618 |
a | 10.4009 ± 0.0001 Å |
b | 14.6658 ± 0.0003 Å |
c | 23.5395 ± 0.0004 Å |
α | 90° |
β | 100.324 ± 0.001° |
γ | 90° |
Cell volume | 3532.52 ± 0.1 Å3 |
Cell temperature | 83 ± 2 K |
Ambient diffraction temperature | 85 ± 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 | 0.0393 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0758 |
Weighted residual factors for all reflections included in the refinement | 0.0788 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.196 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4310251.cif |
179141 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/02. |
4310251.cif |
120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310251.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310251.cif |
1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4310251.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.