A New β-Diketiminate Ligand Carrying a Functional Group on the Carbon Framework. Synthesis and Characterization of a Linear Polymeric Copper(I) Complex
Seiji Yokota; Yoshimitsu Tachi; Nagatoshi Nishiwaki; Masahiro Ariga; Shinobu Itoh; Inorganic Chemistry 40 (2001) 5316–5317; doi:10.1021/ic0155535

data_4320366
_publ_section_title
;
 A New \b-Diketiminate Ligand Carrying a Functional Group on the Carbon
 Framework. Synthesis and Characterization of a Linear Polymeric Copper(I)
 Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5316
_journal_page_last               5317
_journal_paper_doi               10.1021/ic0155535
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'C21 H24 Cu N3 O2 '
_chemical_formula_sum            'C21 H24 Cu N3 O2'
_chemical_formula_weight         413.99
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.0625(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.2949(2)
_cell_length_b                   15.7167(5)
_cell_length_c                   16.6267(4)
_cell_measurement_reflns_used    22683
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.8
_cell_volume                     1876.96(9)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9953
_diffrn_measured_fraction_theta_max 0.9953
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            8459
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.185
_exptl_absorpt_correction_T_max  0.701
_exptl_absorpt_correction_T_min  0.699
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   International_Tables
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.59
_refine_diff_density_min         -0.31
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.862
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     268
_refine_ls_number_reflns         3367
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.002Fo^2^ + 1.000\s^2^(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0460
_reflns_number_gt                3367
_reflns_number_total             4448
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0155535_s2_2.cif
_cod_data_source_block           '_[Cu(2-)]n(3)'
_cod_original_cell_volume        1876.96(8)
_cod_original_formula_sum        'C21 H24 Cu N3 O2 '
_cod_database_code               4320366