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_4320365
_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 H25 N3 O2 '
_chemical_formula_sum            'C21 H25 N3 O2'
_chemical_formula_weight         351.45
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.55(1)
_cell_angle_beta                 109.61(1)
_cell_angle_gamma                77.70(2)
_cell_formula_units_Z            2
_cell_length_a                   8.954(2)
_cell_length_b                   14.536(4)
_cell_length_c                   8.220(2)
_cell_measurement_reflns_used    4372
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.7
_cell_volume                     962.0(4)
_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 0.8735
_diffrn_measured_fraction_theta_max 0.8735
_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  0.047
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5226
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_T_min  0.687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.213
_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         0.52
_refine_diff_density_min         -0.42
_refine_ls_extinction_coef       7968.1000977
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     261
_refine_ls_number_reflns         2444
_refine_ls_R_factor_gt           0.0800
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.005Fo^2^ + 1.000\s^2^(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1030
_reflns_number_gt                2173
_reflns_number_total             3859
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0155535_s2_1.cif
_cod_data_source_block           '_2H'
_cod_original_cell_volume        961.9(5)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C21 H25 N3 O2 '
_cod_database_code               4320365