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1100299
Actelion Java MolfileCreator 1.0
30 31 0 0 0 0 0 0 0 0999 V2000
4.8245 -5.0736 -2.7714 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1091 -3.7179 -2.6418 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3959 -3.2827 -2.8351 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3934 -4.1663 -3.2125 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1058 -5.5049 -3.3709 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8148 -5.9871 -3.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4370 -7.4337 -3.1889 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4608 -9.4926 -3.9097 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7129 -5.0383 -0.9821 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0140 -8.2922 -1.5898 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9488 -8.4766 -4.0959 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0661 -11.0313 -2.1770 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9907 -8.4213 -1.0993 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5040 -8.8243 -5.0872 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1176 -7.8525 0.2684 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6944 -8.0690 -2.4049 Cr 0 0 0 0 0 0 0 0 0 0 0 0
3.9725 -9.8808 -2.2736 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5560 -7.9015 -0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4589 -8.0534 -3.7606 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2002 -5.7369 -2.5743 S 0 0 0 0 0 0 0 0 0 0 0 0
2.6250 -4.0848 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8526 -5.4257 -0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4916 -9.9540 -3.0686 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3146 -5.2502 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6757 -9.7610 -4.3930 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2429 -9.7105 -4.4229 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7945 -6.1109 -3.6516 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2856 -3.8458 -3.3637 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6069 -2.3556 -2.7066 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4126 -3.0950 -2.4207 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
1 20 1 0 0 0 0
2 3 1 0 0 0 0
13 10 3 0 0 0 0
3 4 2 0 0 0 0
14 11 3 0 0 0 0
4 5 1 0 0 0 0
17 12 3 0 0 0 0
5 6 2 0 0 0 0
18 15 3 0 0 0 0
6 7 1 0 0 0 0
7 19 1 0 0 0 0
9 20 1 0 0 0 0
8 19 1 0 0 0 0
16 20 8 0 0 0 0
16 18 8 0 0 0 0
16 17 8 0 0 0 0
16 11 8 0 0 0 0
16 10 8 0 0 0 0
16 7 8 0 0 0 0
5 27 1 0 0 0 0
4 28 1 0 0 0 0
3 29 1 0 0 0 0
2 30 1 0 0 0 0
9 24 1 0 0 0 0
8 26 1 0 0 0 0
9 21 1 0 0 0 0
9 22 1 0 0 0 0
8 25 1 0 0 0 0
8 23 1 0 0 0 0
M CHG 8 7 -2 10 -1 11 -1 12 1 13 1 14 1 15 1 16 2
M CHG 2 17 -1 18 -1
M END
> <COD_SDF_DATA_SOURCE_FILE>
1100299.cif
> <COD_SDF_DATA_SOURCE_BLOCK>
1100299
> <COD_SDF_SPACE_GROUP_IT_NUMBER>
2
> <COD_SDF_SOFTWARE_PACKAGE_NAME>
cif-perceive-chemistry
> <COD_SDF_SOFTWARE_PACKAGE_VERSION>
0.4.0
> <COD_SDF_CREATION_TIMESTAMP>
2025-01-08T19:25:20+02:00
> <COD_SDF_ISSUES>
> <COD_SDF_CIF_SVN_REVISION>
178075
> <COD_SDF_VALIDITY_STATUS>
1
> <PUBCHEM_EXT_DATASOURCE_REGID>
1100299
> <PUBCHEM_SUBSTANCE_COMMENT>
Dotz, Karl Heinz; Erben, Hans-Georg; Staudacher, Wolfgang; Harms, Klaus; Muller, Gerhard; Riede, Jurgen, (1988), Reaktionen von Komplexliganden: XXXIV. Tetracarbonyl-Carben-Chelatkomplexe des Chroms, Molybdans und Wolframs, Journal of Organometallic Chemistry, 355, 1-3, 177-191. https://doi.org/10.1016/0022-328x(88)89020-x
> <PUBCHEM_EXT_DATASOURCE_URL>
https://www.crystallography.net/cod/
> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.crystallography.net/cod/1100299.html
$$$$
|
