Fluorene-based sensitizers with a phenothiazine donor: effect of mode of donor tethering on the performance of dye-sensitized solar cells.
Baheti, Abhishek; Justin Thomas, K. R.; Li, Chun-Ting; Lee, Chuan-Pei; Ho, Kuo-Chuan; ACS applied materials & interfaces 7 (2015) 2249–2262; doi:10.1021/am506149q

data_4512580
_publ_section_title
;
 Fluorene-based sensitizers with a phenothiazine donor: effect of mode of
 donor tethering on the performance of dye-sensitized solar cells.
;
_journal_issue                   4
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              2249
_journal_page_last               2262
_journal_paper_doi               10.1021/am506149q
_journal_volume                  7
_journal_year                    2015
_chemical_formula_sum            'C41 H36 N2 O3 S2'
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_cell_angle_gamma                107.068(6)
_cell_formula_units_Z            2
_cell_length_a                   9.4861(15)
_cell_length_b                   13.822(2)
_cell_length_c                   14.253(3)
_cell_measurement_reflns_used    1282
_cell_measurement_temperature    298(2)
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_cell_measurement_theta_min      2.28
_cell_volume                     1753.6(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.810
_diffrn_measured_fraction_theta_max 0.702
_diffrn_measurement_device_type  'CCD area detector'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_k_min       -16
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_diffrn_reflns_number            14350
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_diffrn_reflns_theta_max         26.56
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.193
_exptl_absorpt_correction_T_max  0.9847
_exptl_absorpt_correction_T_min  0.9716
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             704
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_refine_ls_R_factor_all          0.2062
_refine_ls_R_factor_gt           0.0719
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1255P)^2^+0.4061P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1901
_refine_ls_wR_factor_ref         0.2585
_reflns_number_gt                2023
_reflns_number_total             5121
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            am506149q_si_002.cif
_cod_data_source_block           4c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/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 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4512580.cif.
;
_cod_original_cell_volume        1753.7(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4512580