#------------------------------------------------------------------------------
#$Date: 2022-01-01 06:14:39 +0200 (Sat, 01 Jan 2022) $
#$Revision: 271663 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108899.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2108899
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           ' P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  ' P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.3033(6)
_cell_length_b                   14.8134(10)
_cell_length_c                   29.664(2)
_cell_volume                     4088.1(5)
_computing_structure_refinement  'olex2.refine 1.3-dev (Bourhis et al., 2015)'
_cod_data_source_file            px5037ibuargsup4.hkl
_cod_data_source_block           ibu_arg
_shelx_refln_list_code           4
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,-y+1/2,-z
3 -x,y+1/2,-z+1/2
4 -x+1/2,-y,z+1/2
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_f_squared_weight
_refln_observed_status
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4 2 25 376.476 402.381 35.291 40.889 o
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