A lead(ii)–N′-isonicotinoylpyrazine-2-carbohydrazonamide complex system as a converter of aerial carbon dioxide to carbonate under electrochemical conditions with the formation of a single-component white light-emitting phosphor
Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Labisbal, Elena; Castiñeiras, Alfonso; Alizadeh, Vali; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.; CrystEngComm 26 (2024) 4205–4213; doi:10.1039/D4CE00562G

data_7248923
_publ_section_title
;
 A lead(ii)--N&#x2032;-isonicotinoylpyrazine-2-carbohydrazonamide complex
 system as a converter of aerial carbon dioxide to carbonate under
 electrochemical conditions with the formation of a single-component white
 light-emitting phosphor
;
_journal_issue                   31
_journal_name_full               CrystEngComm
_journal_page_first              4205
_journal_page_last               4213
_journal_paper_doi               10.1039/D4CE00562G
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C23 H18 N12 O5 Pb2, 2(C2 H3 N), 2(C H4 O)'
_chemical_formula_sum            'C29 H32 N14 O7 Pb2'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-04-14 deposited with the CCDC.	2024-07-02 downloaded from the CCDC.
;
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_cell_measurement_temperature    100(2)
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_cell_volume                     3475.1(4)
_computing_cell_refinement       'APEX4 Software (Bruker, 2022)'
_computing_data_collection       'APEX4 Software (Bruker, 2022)'
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON III-14'
_diffrn_measurement_method       'omega and phi'
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_exptl_crystal_description       plate
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_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5310
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_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0164
_refine_ls_R_factor_gt           0.0143
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0143P)^2^+6.7731P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0344
_refine_ls_wR_factor_ref         0.0353
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4975
_reflns_number_total             5310
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4ce00562g1.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7248923.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7248923
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.246
_shelx_estimated_absorpt_t_max   0.829
_shelx_res_checksum              66415