Ag(I) induced H-type and Pd(II) induced J-type phthalocyanines to enhance PDT applications: synthesis, optical behaviors, photochemical/photophysical properties, and DFT studies.
Alagöz, Tenzile; Genç Bilgiçli, Hayriye; Polat, Elif; Pişkin, Hasan; Tüzün, Burak; Günsel, Armağan; Erdoğmuş, Ali; Yaraşır, M Nilüfer; Bilgiçli, Ahmet T; Dalton transactions (Cambridge, England : 2003) 54 (2025) 10052–10070; doi:10.1039/d5dt00590f

data_7718808
_publ_section_title
;
 Ag(I) induced H-type and Pd(II) induced J-type phthalocyanines to enhance
 PDT applications: synthesis, optical behaviors,
 photochemical/photophysical properties, and DFT studies.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10052
_journal_page_last               10070
_journal_paper_doi               10.1039/d5dt00590f
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C15 H9 Br N2 S'
_chemical_formula_sum            'C15 H9 Br N2 S'
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_space_group_name_H-M_alt        'P -1'
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_audit_creation_date             2022-11-22
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Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
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_audit_update_record
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2022-11-22 deposited with the CCDC.	2025-05-27 downloaded from the CCDC.
;
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'Bruker Instrument Service v2013.12.0.0 (Bruker AXS)'
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'Bruker APEX II QUAZAR three-circle diffractometer'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0507P)^2^+0.4262P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             3151
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 7718808.cif.'
_cod_original_cell_volume        693.2(5)
_cod_database_code               7718808
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_shelx_estimated_absorpt_t_max   0.836
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_olex2_refinement_description
;
;
_shelx_res_checksum              65065
_shelx_hkl_checksum              69644
_olex2_submission_special_instructions 'No special instructions were received'