Concerted Contribution of Cu-O Coordination and Hydrogen Bonds in N,N-Bis(2-hydroxybenzyl)alkylamine-Copper-Solvent System
Suttinun Phongtamrug; Mikiji Miyata; Suwabun Chirachanchai; Chemistry Letters 34 (2005) 634–; doi:10.1246/cl.2005.634

data_8000046
_publ_section_title
;
 Concerted Contribution of Cu-O Coordination and Hydrogen Bonds in
 N,N-Bis(2-hydroxybenzyl)alkylamine-Copper-Solvent System
;
_journal_issue                   5
_journal_name_full               'Chemistry Letters'
_journal_page_first              634
_journal_paper_doi               10.1246/cl.2005.634
_journal_volume                  34
_journal_year                    2005
_chemical_formula_sum            'C20 H27 Cu N O3.5'
_chemical_formula_weight         400.98
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.483(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.495(2)
_cell_length_b                   14.145(2)
_cell_length_c                   16.379(3)
_cell_measurement_reflns_used    24630
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      1.8
_cell_volume                     4077.0(9)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9952
_diffrn_measured_fraction_theta_max 0.9952
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22905
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_exptl_absorpt_coefficient_mu    1.091
_exptl_absorpt_correction_T_max  0.849
_exptl_absorpt_correction_T_min  0.553
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.89
_refine_diff_density_min         -0.88
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.841
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     231
_refine_ls_number_reflns         3715
_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.0004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.07000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1617
_reflns_number_gt                1464
_reflns_number_total             3715
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_original_formula_sum        'C20 H27 Cu N O3.50 '
_cod_database_code               8000046