Aggregation-Induced Emission Luminogens with the Capability of Wide Color Tuning, Mitochondrial and Bacterial Imaging, and Photodynamic Anticancer and Antibacterial Therapy.
Zhao, Na; Li, Pengfei; Zhuang, Jiabao; Liu, Yanyan; Xiao, Yuxin; Qin, Ruilin; Li, Nan; ACS applied materials & interfaces 11 (2019) 11227–11237; doi:10.1021/acsami.9b01655

data_4514603
_publ_section_title
;
 Aggregation-Induced Emission Luminogens with the Capability of Wide Color
 Tuning, Mitochondrial and Bacterial Imaging, and Photodynamic Anticancer
 and Antibacterial Therapy.
;
_journal_issue                   12
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              11227
_journal_page_last               11237
_journal_paper_doi               10.1021/acsami.9b01655
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'C42 H32 F18 N6 P2'
_chemical_formula_weight         1024.68
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                81.3080(10)
_cell_angle_beta                 87.400(2)
_cell_angle_gamma                85.060(2)
_cell_formula_units_Z            1
_cell_length_a                   8.2050(8)
_cell_length_b                   9.0601(9)
_cell_length_c                   15.7179(13)
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_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.87
_cell_measurement_theta_min      2.282
_cell_volume                     1150.11(19)
_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 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_reflns_theta_max         25.02
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_exptl_absorpt_correction_T_max  0.9898
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.479
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0473P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1690
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_reflns_number_gt                1508
_reflns_number_total             3970
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            am9b01655_si_002.cif
_cod_data_source_block           170308a
_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/current/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 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4514603