data_neal054
_olex2_submission_special_instructions 'No special instructions were received'
_computing_molecular_graphics     'Olex2 1.3 (Dolomanov et al., 2009)'
_audit_creation_method            
;
Olex2 1.3
(compiled 2020.12.01 svn.r5f60950 for OlexSys, GUI svn.r6408)
;

_audit_creation_date              2021-10-20
_computing_publication_material   'Olex2 1.3 (Dolomanov et al., 2009)'
_exptl_crystal_size_min           0.028
_exptl_crystal_size_mid           0.099
_exptl_crystal_size_max           0.172
_publ_contact_author_email        ?
_publ_contact_author_phone        ?
_publ_contact_author_address      ?
_publ_contact_author_id_orcid     ?
_computing_structure_solution     'SHELXT  (Sheldrick, 2015)'
_atom_sites_solution_primary      dual
_computing_structure_refinement   'XL  (Sheldrick, 2008)'
_diffrn_source_voltage            50.0
_diffrn_source_power              0.06
_exptl_crystal_description        plate
_diffrn_source_current            1.2
_exptl_crystal_colour             colourless
_cell_measurement_theta_min       3.41
_computing_data_reduction         'SAINT V8.40A (Bruker, 2019)'
_cell_measurement_reflns_used     9203
_computing_cell_refinement        'SAINT V8.40A (Bruker, 2019)'
_cell_measurement_theta_max       63.78
_exptl_absorpt_process_details    
;
SADABS-2016/2 (Bruker,2016) was used for absorption correction.
wR2(int) was 0.1209 before and 0.0838 after correction.
The Ratio of minimum to maximum transmission is 0.6495.
The \l/2 correction factor is Not present.
;

_exptl_absorpt_correction_T_max   0.7524
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.4887
_diffrn_measurement_method        '\f and \w scans'
_diffrn_measurement_device_type   'Bruker Venture Photon III'
loop_
  _exptl_crystal_face_index_h
  _exptl_crystal_face_index_k
  _exptl_crystal_face_index_l
  _exptl_crystal_face_perp_dist
  -2.00  -1.00  -2.00  0.0120
   1.00   1.00   2.00  0.0420
  -1.00   3.00  -3.00  0.0660
   0.00   0.00   1.00  0.0130
   0.00   0.00  -1.00  0.0010
   3.00   1.00  -3.00  0.0420
   0.00   1.00   0.00  0.0790
  -1.00  -3.00   3.00  0.0190

_symmetry_cell_setting            Monoclinic'
_diffrn_standards_number          0
_symmetry_space_group_name_H-M    P2(1)
_diffrn_ambient_temperature       100.0
_cell_measurement_temperature     100.0
_exptl_crystal_colour_primary     colourless
_publ_section_references          
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.
;

_olex2_exptl_crystal_mounting_method 'mounted with perfluoroalkane oil on plastic loop'
_chemical_absolute_configuration  ad
_publ_contact_author_name         ''