A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.
Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B; Acta crystallographica Section B, Structural science, crystal engineering and materials 73 (2017) 163–167; doi:10.1107/S2052520616016450

data_2311700
_publ_section_title
;
 A new tecton with parallel halogen-bond donors: a path to supramolecular
 rectangles.
;
_journal_issue                   'Pt 2'
_journal_name_full
'Acta crystallographica Section B, Structural science, crystal engineering and materials'
_journal_page_first              163
_journal_page_last               167
_journal_paper_doi               10.1107/S2052520616016450
_journal_volume                  73
_journal_year                    2017
_chemical_formula_moiety
;
(C18 H8 I2) (C12 H10 N2)
;
_chemical_formula_sum            'C30 H18 I2 N2'
_chemical_formula_weight         660.26
_chemical_name_systematic
;
TW-10-15 1,8-di(iodoethynyl)anthracene, 1,2-bis(4-pyridyl)ethylene
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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_cell_length_b                   13.6011(11)
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_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      30.24
_cell_measurement_theta_min      2.19
_cell_volume                     2494.2(3)
_computing_cell_refinement       'Bruker SAINT'
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_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
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_diffrn_reflns_theta_full        30.000
_diffrn_reflns_theta_max         30.567
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_exptl_absorpt_coefficient_mu    2.543
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.485
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.758
_exptl_crystal_description       plate
_exptl_crystal_F_000             1272
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_exptl_crystal_size_mid          0.200
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0900P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1619
_reflns_number_gt                4840
_reflns_number_total             7557
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ao5017sup1.cif
_cod_data_source_block           DIEABpen
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2311700
_shelx_estimated_absorpt_t_min   0.415
_shelx_estimated_absorpt_t_max   0.862
_shelx_hkl_checksum              70227
_shelx_res_checksum              51034
_shelxl_version_number           .2013