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Information card for entry 8102180
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| Coordinates | 8102180.cif |
|---|
| Chemical name | dichloro-bis(1,10-phenanthroline)-(5-bromosalicylaldehyde- (4-aminobenzene)sulfonic acid)magnesium (II) perchlorate monohydrate |
|---|---|
| Formula | C37 H29 Br Cl3 Mg N5 O9 S |
| Calculated formula | C37 H29 Br Cl3 Mg N5 O9 S |
| Title of publication | Crystal structure of dichlorobis(1,10-phenanthroline)(5-bromosalicylaldehyde- (4-aminobenzene)hydrogensulfonic acid)magnesium(II) perchlorate monohydrate, [Mg(C~12~H~8~N~2~)~2~(C~13~H~11~BrNO~4~S)Cl~2~][ClO~4~] · H~2~O |
| Authors of publication | Tai, Xi-Shi; Yin, Jie; Feng, Yi-Min |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 4 |
| Pages of publication | 398 - 400 |
| a | 18.389 ± 0.004 Å |
| b | 28.248 ± 0.007 Å |
| c | 7.8468 ± 0.0018 Å |
| α | 90° |
| β | 99.155 ± 0.003° |
| γ | 90° |
| Cell volume | 4024.1 ± 1.6 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0822 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102180.cif |
| 108390 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102180.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102180.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102180.cif |
| 12919 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102180 via cif-deposit CGI script. |
8102180.cif |
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