Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4311191
Preview
| Coordinates | 4311191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Mn2 bpbp (acetate)2](ClO4)2. CH3CN |
|---|---|
| Formula | C42 H48 Cl2 Mn2 N7 O13 |
| Calculated formula | C42 H39 Cl2 Mn2 N7 O13 |
| Title of publication | Mixed Carboxylate-Bridged Dimanganese(II/III) Compounds Prepared by an O~2~-dependent oxidative cleavage of ketones |
| Authors of publication | Kenneth Bendix Jensen; Edel Johansen; Frank Bartnik Larsen; Christine J. McKenzie |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 3801 - 3803 |
| a | 12.271 ± 0.002 Å |
| b | 22.126 ± 0.005 Å |
| c | 16.473 ± 0.003 Å |
| α | 90° |
| β | 95.599 ± 0.005° |
| γ | 90° |
| Cell volume | 4451.2 ± 1.5 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 ± 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 significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.595 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4311191.cif |
| 132129 | 2015-02-20 | cod/ (robertas@burundukas) Changed 'Insert the chemical name here' placeholders into '?': codsql 'select file, chemname from data where chemname like "%name%here%" ' -NB \ | awk '{print $1}' \ | codid2file \ | xargs perl -0777 -i -pe \ 's/ \b (?i:_chemical_name_systematic) \b \K (?: \s (?!\n) )* \n ; \s* ( \? \s* .Insert\ the\ chemical\ name\ here\. | insert\ name\ here | name\ here | Insert\ the\ systematic\ name\ here | systematic\ name\ to\ be\ included\ here ) \s+ (?<= \n ) ; (?= \n ) / ?/ixms' |
4311191.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311191.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311191.cif |
| 2683 | 2010-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4311191 via cif-deposit CGI script. |
4311191.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.