Classifying donor strengths of dipyrrinato/aza-dipyrrinato ligands.
Diaz-Rodriguez, Roberto M; Robertson, Katherine N.; Thompson, Alison; Dalton transactions (Cambridge, England : 2003) 48 (2019) 7546–7550; doi:10.1039/c9dt01148j

data_7701589
_publ_section_title
;
 Classifying donor strengths of dipyrrinato/aza-dipyrrinato ligands.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7546
_journal_page_last               7550
_journal_paper_doi               10.1039/c9dt01148j
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C30 H37 Br N4 O2 Pd'
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_space_group_name_Hall           '-C 2yc'
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_audit_update_record
;
2019-02-21 deposited with the CCDC.	2019-04-23 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      125(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6073
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker 2009'
_exptl_crystal_colour            'dark red-orange'
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_exptl_crystal_description       'square plate'
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_refine_ls_number_reflns         7006
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_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.0565
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0319P)^2^+28.4228P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0811
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt01148j2.cif
_cod_data_source_block           RD015B
_cod_original_cell_volume        5743.7(12)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7701589
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.424
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_shelx_res_checksum              85808