Main-Chain-Type Organoboron Quinolate Polymers: Synthesis and Photoluminescence Properties
Nagata, Yuuya; Chujo, Yoshiki; Macromolecules 40 (2007) 6–; doi:10.1021/ma062007s

data_1505117
_publ_section_title
;
 Main-Chain-Type Organoboron Quinolate Polymers:&#x00A0; Synthesis and
 Photoluminescence Properties
;
_journal_issue                   1
_journal_name_full               Macromolecules
_journal_page_first              6
_journal_paper_doi               10.1021/ma062007s
_journal_volume                  40
_journal_year                    2007
_chemical_formula_moiety         'C21 H14 B I2 N O '
_chemical_formula_sum            'C21 H14 B I2 N O'
_chemical_formula_weight         560.97
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.561(17)
_cell_angle_beta                 90.613(17)
_cell_angle_gamma                110.05(2)
_cell_formula_units_Z            4
_cell_length_a                   10.152(3)
_cell_length_b                   11.566(6)
_cell_length_c                   17.265(7)
_cell_measurement_reflns_used    10986
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1872.9(14)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.071
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16391
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    3.369
_exptl_absorpt_correction_T_max  0.714
_exptl_absorpt_correction_T_min  0.294
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.989
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1064.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.36
_refine_diff_density_min         -1.99
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     497
_refine_ls_number_reflns         7545
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    556.9580    651.8760    152.5080
;
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                7525
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_data_source_block           '_0203_____________________'
_cod_original_cell_volume        1872.8(13)
_cod_original_formula_sum        'C21 H14 B I2 N O '
_cod_database_code               1505117