Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.
McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei; Inorganic chemistry 55 (2016) 11462–11472; doi:10.1021/acs.inorgchem.6b02006

data_4349164
_publ_section_title
;
 Synthesis and Characterization of Copper Complexes with
 Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and
 Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible
 Dipyridylamide Ligand.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11462
_journal_page_last               11472
_journal_paper_doi               10.1021/acs.inorgchem.6b02006
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C33 H24 Cu2 N10 O6, C H4 O'
_chemical_formula_sum            'C34 H28 Cu2 N10 O7'
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90.953(2)
_cell_angle_beta                 101.778(2)
_cell_angle_gamma                91.607(2)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.25
_cell_volume                     1836.7(5)
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_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       '\f and \w scans'
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_exptl_absorpt_correction_T_max  0.810
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            green
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_exptl_crystal_description       block
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_refine_ls_R_factor_all          0.0335
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+1.8600P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0898
_refine_ls_wR_factor_ref         0.0912
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7929
_reflns_number_total             8428
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b02006_si_002.cif
_cod_data_source_block           15113_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_database_code               4349164
_shelx_estimated_absorpt_t_min   0.570
_shelx_estimated_absorpt_t_max   0.810
_shelx_res_checksum              35196
_shelx_hkl_checksum              16450
_shelx_fab_checksum              13481