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Information card for entry 8102572
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| Coordinates | 8102572.cif |
|---|
| Chemical name | [3,7,11,18,22,26-hexaazatricyclo[26.2.2.2^13,16^] tetratriaconta- 1(31),13(34),14,16(33), 28(32),29-hexaene] dinickel tetra-chloride methanol monhydrate |
|---|---|
| Formula | C29 H51 Cl4 N6 Ni2 O2 |
| Calculated formula | C29 H52 Cl4 N6 Ni2 O2 |
| Title of publication | Crystal structure of [3,7,11,18,22,26-hexaaza-tricyclo[26.2.2.213,16]-tetratriaconta-1(31),13(34),14,16(33),28(32),29-hexaene]dinickel tetrachloride — methanol — water (1:1:1), Ni2(C28H46N6)Cl4 · CH3OH · H2O |
| Authors of publication | Hua Wu; Dao-Cheng Xia; Hai-Yan Liu; Hong-Ye Bai; Jian-Fang Ma |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2009 |
| Journal volume | 224 |
| Journal issue | 4 |
| Pages of publication | 695 |
| a | 10.928 ± 0.002 Å |
| b | 15.437 ± 0.003 Å |
| c | 11.621 ± 0.002 Å |
| α | 90° |
| β | 106.59 ± 0.03° |
| γ | 90° |
| Cell volume | 1878.8 ± 0.7 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0733 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1854 |
| Weighted residual factors for all reflections included in the refinement | 0.1986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206183 (current) | 2018-02-05 | cif/ Marking attached hydrogen atoms in entries 1527379, 1530311, 1530837, 2011200, 2011388, 2011853, 2016073, 2104513, 2105635, 2105637, 2106485, 2200602, 2207505, 8102572, 8103648. |
8102572.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8102572.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102572.cif |
| 13311 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102572 via cif-deposit CGI script. |
8102572.cif |
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