| Refcode |
{entry.identifier} |
| {image} |
| Chemical name | {entry.chemical_name} |
| Synonyms | {synonyms} |
| Formula | {entry.formula} |
| R-factor | {entry.r_factor} |
| Disorder | {entry.disorder_details} |
| Polymorphism? | {entry.polymorph} |
| Has 3d structure? | {entry.has_3d_structure} |
| Is organic? | {entry.is_organic} |
| Is polymeric? | {entry.is_polymeric} |
| Bioactivity? | {entry.bioactivity} |
| Source | {entry.source} |
| Habit | {entry.habit} |
| Reference |
{entry.publication.journal.name} Volume {entry.publication.volume} {entry.publication.year} |
| Authors |
{entry.publication.authors} |
| DOI |
{doi} |
| Crystal System |
{entry.crystal.crystal_system} |
| Space Group |
{entry.crystal.spacegroup_symbol} |
| Cell Volume |
{entry.crystal.cell_volume}ų |
| Z, Z' |
{entry.crystal.z_value}, {entry.crystal.z_prime} |
| Number of atoms | {counts[natoms]} |
| Number of donors | {counts[ndonors]} |
| Number of acceptors | {counts[nacceptors]} |
| Number of rotatable bonds | {counts[nrot_bonds]} |