Halogen bonding two-point recognition with terphenyl derivatives
Stoesser, J.; Rojas, G.; Bulfield, D.; Hidalgo, P. I.; Pasán, J.; Ruiz-Pérez, C.; Jiménez, C. A.; Huber, S. M.; New Journal of Chemistry 42 (2018) 10476–; doi:10.1039/C8NJ00962G

data_7057283
_publ_section_title
;
 Halogen bonding two-point recognition with terphenyl derivatives
;
_journal_issue                   13
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10476
_journal_paper_doi               10.1039/C8NJ00962G
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C51 H12 F20 I8 N2 O'
_chemical_formula_weight         2063.83
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_audit_creation_method           SHELXL-2013
_audit_update_record
;
2018-02-15 deposited with the CCDC.
2018-04-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.760(2)
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_diffrn_detector_type            EosS2
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_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         28.550
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_diffrn_source                   'fine-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.368
_exptl_crystal_description       prism
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_exptl_crystal_size_min          0.062
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_refine_diff_density_rms         0.095
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_refine_ls_R_factor_all          0.0806
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0346P)^2^+9.8456P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0973
_refine_ls_wR_factor_ref         0.1116
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_reflns_number_gt                8975
_reflns_number_total             13462
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj00962g2.cif
_cod_data_source_block           compound_2
_cod_depositor_comments
'Adding full bibliography for 7057282--7057283.cif.'
_cod_database_code               7057283
_shelxl_version_number           2013-4
_shelx_res_checksum              36340