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Cchemical_conn_bond.html
Index Core dictionary (coreCIF) version 2.4.5 Category CHEMICAL_CONN_BOND Name: '_chemical_conn_bond_[]' Definition: Data items in the _chemical_conn_atom_ and _chemical_conn_bond_ categories record details about the two-dimensional (2D) chemical structure of the molecular species. They allow a 2D chemical diagram to be reconstructed for use ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Cchemical_conn_bond.html

Ichemical_conn_atom_type_symbol.html
Index Core dictionary (coreCIF) version 2.4.5 _chemical_conn_atom_type_symbol Name: '_chemical_conn_atom_type_symbol' Definition: A code identifying the atom type. This code must match an _atom_type_symbol code in the _atom_type_ list or be a recognizable element symbol. Appears in list as essential element of ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_conn_atom_type_symbol.html

Ichemical_conn_atom_number.html
Index Core dictionary (coreCIF) version 2.4.5 _chemical_conn_atom_number Name: '_chemical_conn_atom_number' Definition: The chemical sequence number to be associated with this atom. Appears in list containing _chemical_conn_atom_type_symbol May match subsidiary data name(s) _atom_site_chemical_conn_number _chemical_conn_bond_atom_1 ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_conn_atom_number.html

Ichemical_conn_atom_NH.html
Index Core dictionary (coreCIF) version 2.4.5 _chemical_conn_atom_NH Name: '_chemical_conn_atom_NH' Definition: The total number of hydrogen atoms attached to this atom, regardless of whether they are included in the refinement or the _atom_site_ list. This number will be the same as _atom_site_attached_hydrogens ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_conn_atom_NH.html

Ichemical_conn_atom_NCA.html
Index Core dictionary (coreCIF) version 2.4.5 _chemical_conn_atom_NCA Name: '_chemical_conn_atom_NCA' Definition: The number of connected atoms excluding terminal hydrogen atoms. Appears in list containing _chemical_conn_atom_type_symbol The permitted range is 0 -> infinity Type: numb Category: chemical_conn_atom...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_conn_atom_NCA.html

Ichemical_conn_atom_display_.html
Index Core dictionary (coreCIF) version 2.4.5 _chemical_conn_atom_display_ Names: '_chemical_conn_atom_display_x' '_chemical_conn_atom_display_y' Definition: The 2D Cartesian coordinates (x,y) of the position of this atom in a recognizable chemical diagram. The coordinate origin is at the lower left corner, the x axis ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_conn_atom_display_.html

Ichemical_conn_atom_charge.html
Index Core dictionary (coreCIF) version 2.4.5 _chemical_conn_atom_charge Name: '_chemical_conn_atom_charge' Definition: The net integer charge assigned to this atom. This is the formal charge assignment normally found in chemical diagrams. Examples: 1 for an ammonium nitrogen -1 for a chloride ion Appears in list containing _chemical ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_conn_atom_charge.html

Cchemical_conn_atom.html
Index Core dictionary (coreCIF) version 2.4.5 Category CHEMICAL_CONN_ATOM Name: '_chemical_conn_atom_[]' Definition: Data items in the _chemical_conn_atom_ and _chemical_conn_bond_ categories record details about the two-dimensional (2D) chemical structure of the molecular species. They allow a 2D chemical diagram to be reconstructed for use ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Cchemical_conn_atom.html

Ichemical_temperature_sublimation_.html
Index Core dictionary (coreCIF) version 2.4.5 _chemical_temperature_sublimation_ Names: '_chemical_temperature_sublimation_gt' '_chemical_temperature_sublimation_lt' Definition: A temperature in kelvins below which (*_lt) or above which (*_gt) the solid is known to sublime. These items allow a range of temperatures to be given. _chemical_temperature_sublimation should always ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_temperature_sublimation_.html

Ichemical_temperature_sublimation.html
Index Core dictionary (coreCIF) version 2.4.5 _chemical_temperature_sublimation Name: '_chemical_temperature_sublimation' Definition: The temperature in kelvins at which the solid sublimes. Example: 350 The permitted range is 0.0 -> infinity Type: numb Category: chemical...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_temperature_sublimation.html

Ichemical_temperature_decomposition_.html
Index Core dictionary (coreCIF) version 2.4.5 _chemical_temperature_decomposition_ Names: '_chemical_temperature_decomposition_gt' '_chemical_temperature_decomposition_lt' Definition: A temperature in kelvins below which (*_lt) or above which (*_gt) the solid is known to decompose. These items allow a range of temperatures to be given. _chemical_temperature_decomposition should always ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_temperature_decomposition_.html

Ichemical_temperature_decomposition.html
Index Core dictionary (coreCIF) version 2.4.5 _chemical_temperature_decomposition Name: '_chemical_temperature_decomposition' Definition: The temperature in kelvins at which the solid decomposes. Example: 350 The permitted range is 0.0 -> infinity Type: numb Category: chemical...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_temperature_decomposition.html

Ichemical_properties_physical.html
Index Core dictionary (coreCIF) version 2.4.5 _chemical_properties_physical Name: '_chemical_properties_physical' Definition: A free-text description of the physical properties of the material. Examples: air-sensitive moisture-sensitive hygroscopic deliquescent oxygen-sensitive photo-sensitive pyrophoric semiconductor 'ferromagnetic at low temperature' 'paramagnetic and thermochromic' Type: char Category: chemical...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_properties_physical.html

Ichemical_properties_biological.html
Index Core dictionary (coreCIF) version 2.4.5 _chemical_properties_biological Name: '_chemical_properties_biological' Definition: A free-text description of the biological properties of the material. Examples: ; diverse biological activities including use as a laxative and strong antibacterial activity against S. aureus and weak activity against cyclooxygenase-1 (COX-1) ; ; antibiotic activity ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_properties_biological.html

Ichemical_optical_rotation.html
Index Core dictionary (coreCIF) version 2.4.5 _chemical_optical_rotation Name: '_chemical_optical_rotation' Definition: The optical rotation in solution of the compound is specified in the following format: '[\a]^TEMP^~WAVE~ = SORT (c = CONC, SOLV)' where: TEMP is the temperature of the measurement in degrees Celsius, WAVE is an indication of ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_optical_rotation.html


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