Facile Construction of Metallo-supramolecular Poly(3-hexylthiophene)-block-Poly(ethylene oxide) Diblock Copolymers via Complementary Coordination and Their Self-Assembled Nanostructures.
He, Yun-Jui; Tu, Tsung-Han; Su, Ming-Kun; Yang, Chia-Wei; Kong, Kien Voon; Chan, Yi-Tsu; Journal of the American Chemical Society 139 (2017) 4218–4224; doi:10.1021/jacs.7b01010

data_4125860
_publ_section_title
;
 Facile Construction of Metallo-supramolecular
 Poly(3-hexylthiophene)-block-Poly(ethylene oxide) Diblock Copolymers via
 Complementary Coordination and Their Self-Assembled Nanostructures.
;
_journal_issue                   11
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4218
_journal_page_last               4224
_journal_paper_doi               10.1021/jacs.7b01010
_journal_volume                  139
_journal_year                    2017
_chemical_formula_sum            'C72 H44 F6 N8 O7.5 S2 Zn'
_chemical_formula_weight         1384.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                93.233(2)
_cell_angle_beta                 90.756(2)
_cell_angle_gamma                94.444(2)
_cell_formula_units_Z            2
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_cell_length_b                   13.0805(4)
_cell_length_c                   18.7153(5)
_cell_measurement_reflns_used    8794
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.6100
_cell_measurement_theta_min      3.1040
_cell_volume                     3112.69(16)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.2496
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_max       15
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_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19725
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
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_exptl_absorpt_coefficient_mu    0.545
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.25
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_refine_ls_R_factor_all          0.0855
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_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0967P)^2^+6.9912P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1816
_refine_ls_wR_factor_ref         0.1960
_reflns_number_gt                8815
_reflns_number_total             10889
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja7b01010_si_002.cif
_cod_data_source_block           ic18130
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 4125860.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C72 H44 F6 N8 O7.50 S2 Zn'
_cod_database_code               4125860