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Information card for entry 8102583
Preview
| Coordinates | 8102583.cif |
|---|---|
| External links | PubChem |
| Common name | [μ-13,27-di-<i>tert</i>-butyl-3,6,9,17,20,23-hexaazatri- cyclo [23,3,1,1^11,15^]triaconta-1(28),11,13,15 (30),25,26-hexaene-29,30-diolato[κ^5^<i>N^3^</i>,<i>N^6^</i>,<i>N^9^</i>,\ <i>O^29^</i>,<i>O^30^</i>:κ^5^<i>N^17^</i>,<i>N^20^</i>,<i>N^23^</i>,\ <i>O^29^</i>,<i>O^30^</i>]bis(thiocyanato-κN)cobalt(II)–methanol (1:2) |
|---|---|
| Chemical name | [μ-13,27-di-<i>tert</i>-butyl-3,6,9,17,20,23-hexaazatri- cyclo [23,3,1,1^11,15^]triaconta-1(28),11,13,15 (30),25,26-hexaene-29,30-diolato[κ^5^<i>N^3^</i>,<i>N^6^</i>,<i>N^9^</i>,\ <i>O^29^</i>,<i>O^30^</i>:κ^5^<i>N^17^</i>,<i>N^20^</i>,<i>N^23^</i>,\ <i>O^29^</i>,<i>O^30^</i>]bis(thiocyanato-κN)cobalt(II)—methanol (1:2) |
| Formula | C36 H60 Co2 N8 O4 S2 |
| Calculated formula | C36 H60 Co2 N8 O4 S2 |
| Title of publication | Crystal structure of m-13,27-di-tert-butyl-3,6,9,17,20,23-hexaazatricyclo[23,3,1,111,15]triaconta-1(28),11,13,15 (30),25,26-hexaene-29,30-diolato[k5N3,N6,N9,O29,O30:k5N17,N20,N23,O29,O30]bis(thiocyanato-kN)cobalt(II) — methanol (1:2), Co2(C32H52N6O2)(NCS)2 · 2CH3OH |
| Authors of publication | Ying-Yin Jiang; Dao-Cheng Xia; Jian-Fang Ma |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 1 |
| Pages of publication | 49 |
| a | 8.458 ± 0.0017 Å |
| b | 10.448 ± 0.002 Å |
| c | 12.553 ± 0.003 Å |
| α | 77.44 ± 0.03° |
| β | 79.73 ± 0.03° |
| γ | 82.19 ± 0.03° |
| Cell volume | 1059.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0685 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1478 |
| Weighted residual factors for all reflections included in the refinement | 0.1581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102583.cif |
| 200426 | 2017-09-11 | cif/8/10/ Marking attached hydrogen atoms in entries 8101584, 8102015, 8102265, 8102379, 8102583, 8102586, 8103218, 8103976, 8104172. |
8102583.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8102583.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102583.cif |
| 13322 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102583 via cif-deposit CGI script. |
8102583.cif |
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