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C15.cif
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C15.cif
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data_C15
_audit_creation_date 2023-10-20
_audit_creation_method 'Materials Studio'
_symmetry_space_group_name_H-M 'P1'
_symmetry_Int_Tables_number 1
_symmetry_cell_setting triclinic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
_cell_length_a 6.9282
_cell_length_b 6.9282
_cell_length_c 30.0000
_cell_angle_alpha 90.0000
_cell_angle_beta 90.0000
_cell_angle_gamma 120.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
C1 C 0.25000 0.25000 0.00000 0.00000 Uiso 1.00
C2 C 0.75000 0.00000 0.00000 0.00000 Uiso 1.00
C3 C 0.00000 0.75000 0.00000 0.00000 Uiso 1.00
C4 C 0.75000 0.75000 0.00000 0.00000 Uiso 1.00
C5 C 0.25000 0.00000 0.00000 0.00000 Uiso 1.00
C6 C -0.00000 0.25000 0.00000 0.00000 Uiso 1.00
C7 C 0.50000 0.50000 0.00000 0.00000 Uiso 1.00
C8 C 0.50000 0.00000 0.00000 0.00000 Uiso 1.00
C9 C -0.00000 0.50000 0.00000 0.00000 Uiso 1.00
C10 C 0.50000 0.25000 0.00000 0.00000 Uiso 1.00
C11 C 0.75000 0.25000 0.00000 0.00000 Uiso 1.00
C12 C 0.75000 0.50000 0.00000 0.00000 Uiso 1.00
C13 C 0.50000 0.75000 0.00000 0.00000 Uiso 1.00
C14 C 0.25000 0.75000 0.00000 0.00000 Uiso 1.00
C15 C 0.25000 0.50000 0.00000 0.00000 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
C1 C7 1.732 . S
C1 C10 1.732 . S
C1 C15 1.732 . S
C1 C5 1.732 . S
C1 C6 1.732 . S
C2 C8 1.732 . S
C2 C11 1.732 . S
C2 C13 1.732 1_545 S
C2 C6 1.732 1_655 S
C2 C4 1.732 1_545 S
C3 C9 1.732 . S
C3 C12 1.732 1_455 S
C3 C14 1.732 . S
C3 C4 1.732 1_455 S
C3 C5 1.732 1_565 S
C4 C7 1.732 . S
C4 C13 1.732 . S
C4 C12 1.732 . S
C4 C2 1.732 1_565 S
C4 C3 1.732 1_655 S
C5 C8 1.732 . S
C5 C14 1.732 1_545 S
C5 C10 1.732 . S
C5 C3 1.732 1_545 S
C6 C9 1.732 . S
C6 C15 1.732 . S
C6 C11 1.732 1_455 S
C6 C2 1.732 1_455 S
C7 C15 1.732 . S
C7 C12 1.732 . S
C7 C10 1.732 . S
C7 C13 1.732 . S
C8 C13 1.732 1_545 S
C8 C10 1.732 . S
C8 C11 1.732 . S
C8 C14 1.732 1_545 S
C9 C14 1.732 . S
C9 C11 1.732 1_455 S
C9 C12 1.732 1_455 S
C9 C15 1.732 . S
C10 C12 1.732 . S
C10 C11 1.732 . S
C11 C6 1.732 1_655 S
C11 C12 1.732 . S
C11 C9 1.732 1_655 S
C12 C3 1.732 1_655 S
C12 C9 1.732 1_655 S
C13 C2 1.732 1_565 S
C13 C15 1.732 . S
C13 C14 1.732 . S
C13 C8 1.732 1_565 S
C14 C5 1.732 1_565 S
C14 C15 1.732 . S
C14 C8 1.732 1_565 S