Primary crystal structure data for Compound 42. Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)manganese
DOI: 10.14469/hpc/11417 Metadata
Created: 2022-10-13 08:24
Last modified: 2024-06-25 09:24
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary crystal structure data for Bis(ethanol) bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)manganese (42)
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| AB2207.cif | 578KB | chemical/x-cif | CIF processed data |
| AB2207.7z.001 | 900MB | application/octet-stream | Part 1 of g7z archive of primary crystal data |
| AB2207.7z.002 | 717MB | application/octet-stream | Part 2 of g7z archive of primary crystal data |
| AB2207.zip.001 | 900MB | application/octet-stream | Part 1 of zip archive of primary crystal data |
| AB2207.zip.002 | 767MB | application/octet-stream | Part 2 of zip archive of primary crystal data |
| 42.cdxml | 18KB | chemical/x-cdxml | Chemdraw connection table |
| 42.png | 55KB | image/png | Image representation |
| 42.mol | 2KB | chemical/x-mdl-molfile | MDL Molfile |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11396 | Compound 42: bis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)manganese |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.5517/ccdc.csd.cc2d6qbp | CSD Entry: VIPLOZ |
| isReferencedBy | 10.5517/ccdc.csd.cc2d6qbp | CSD Entry: VIPLOZ |
Subject Keywords
| Keyword | Value |
|---|---|
| IFD.XRAY | Crystal structure |
| inchi | InChI=1S/2C12H12N2O3.2C2H6O.Mn/c2*1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;2*1-2-3;/h2*3-8,15H,2H2,1H3;2*3H,2H2,1H3;/q;;;;+2/p-2 |
| inchikey | IKKKGPUIXXYGGF-UHFFFAOYSA-L |
| SMILES | [H]O(CC)[Mn]12(OC3=C(C(OCC)=O1)C=NN3C4=CC=CC=C4)(OC5=C(C(OCC)=O2)C=NN5C6=CC=CC=C6)O([H])CC |