The Advent of Electrically Conducting Double-Helical Metal-Organic Frameworks Featuring Butterfly-Shaped Electron-Rich π-Extended Tetrathiafulvalene Ligands.
Gordillo, Monica A.; Benavides, Paola A.; Panda, Dillip K.; Saha, Sourav; ACS applied materials & interfaces  (2020) –; doi:10.1021/acsami.9b20234

data_4517318
_publ_section_title
;
 The Advent of Electrically Conducting Double-Helical Metal-Organic
 Frameworks Featuring Butterfly-Shaped Electron-Rich \p-Extended
 Tetrathiafulvalene Ligands.
;
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_paper_doi               10.1021/acsami.9b20234
_journal_year                    2020
_chemical_formula_sum            'C108 H94 O26 S8 Zn3'
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_cell_measurement_temperature    133(2)
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_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 Quest Photon 100'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0799
_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_reflns_limit_k_max       22
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_diffrn_reflns_limit_l_min       -23
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_diffrn_reflns_theta_max         25.250
_diffrn_reflns_theta_min         2.586
_diffrn_source                   'fine focus sealed tube'
_exptl_absorpt_coefficient_mu    0.936
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker, SADABS'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_description       plate
_exptl_crystal_F_000             2336
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_exptl_crystal_size_min          0.051
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         18475
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_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.1425
_refine_ls_R_factor_gt           0.1046
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1270P)^2^+45.0362P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2607
_refine_ls_wR_factor_ref         0.2887
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12209
_reflns_number_total             18475
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am9b20234_si_002.cif
_cod_data_source_block           q-0679_t_sq
_cod_database_code               4517318
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.699
_shelx_estimated_absorpt_t_max   0.954
_shelx_res_checksum              98854
_shelx_hkl_checksum              23574
_shelx_fab_checksum              47287