Permanently porous hydrogen-bonded frameworks of rod-like thiophenes, selenophenes, and tellurophenes capped with MIDA boronates.
Li, Peng-Fei; Qian, Chenxi; Lough, Alan J.; Ozin, Geoffrey A.; Seferos, Dwight S.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 9754–9757; doi:10.1039/c5dt04960a

data_7037858
_publ_section_title
;
 Permanently porous hydrogen-bonded frameworks of rod-like thiophenes,
 selenophenes, and tellurophenes capped with MIDA boronates.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9754
_journal_page_last               9757
_journal_paper_doi               10.1039/c5dt04960a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C38 H54 N2 O2 S2'
_chemical_formula_sum            'C38 H54 N2 O2 S2'
_chemical_formula_weight         634.95
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/cc1jqlpj
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-09-01 deposited with the CCDC.
2015-12-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.678(3)
_cell_angle_gamma                90
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_cell_length_b                   46.2015(16)
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_cell_measurement_temperature    147(2)
_cell_measurement_theta_max      67.18
_cell_measurement_theta_min      3.83
_cell_volume                     1662.28(11)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2007)'
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_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2008)'
_diffrn_ambient_temperature      147(2)
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_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker Kappa APEX-DUO CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1090
_diffrn_reflns_av_unetI/netI     0.0692
_diffrn_reflns_Laue_measured_fraction_full 0.989
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_diffrn_reflns_limit_h_max       5
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_diffrn_reflns_limit_k_min       -54
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_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            33011
_diffrn_reflns_point_group_measured_fraction_full 0.989
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_diffrn_reflns_theta_full        67.326
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_diffrn_reflns_theta_min         1.912
_diffrn_source                   'Bruker ImuS with multi-layer optics'
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_exptl_absorpt_correction_T_min  0.6683
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_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            orange
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_exptl_crystal_description       needle
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0589
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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^)+(0.0375P)^2^+0.8545P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2441
_reflns_number_total             2971
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt04960a2.cif
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_cod_depositor_comments
'Adding full bibliography for 7037855--7037858.cif.'
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