Synthesis, characterization and properties of ternary copper(ii) complexes containing reduced Schiff base N-(2-hydroxybenzyl)-α-amino acids and 1,10-phenanthrolineElectronic supplementary information (ESI) available: ESI-MS and UV titration data. See http://www.rsc.org/suppdata/dt/b2/b211496h/
Yang, Chang-Tong; Moubaraki, Boujemaa; Murray, Keith S.; Vittal, Jagadese J.; Dalton Transactions  (2003) 880–; doi:10.1039/b211496h

data_7012511
_publ_section_title
;
 Synthesis, characterization and properties of ternary copper(ii)
 complexes containing reduced Schiff base N-(2-hydroxybenzyl)-\a-amino
 acids and 1,10-phenanthrolineElectronic supplementary information
 (ESI) available: ESI-MS and UV titration data. See
 http://www.rsc.org/suppdata/dt/b2/b211496h/
;
_journal_issue                   5
_journal_name_full               'Dalton Transactions'
_journal_page_first              880
_journal_paper_doi               10.1039/b211496h
_journal_year                    2003
_chemical_formula_sum            'C22 H21.25 Cl Cu N3 O7.625'
_chemical_formula_weight         548.7
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.655(1)
_cell_angle_beta                 97.344(2)
_cell_angle_gamma                90.346(1)
_cell_formula_units_Z            2
_cell_length_a                   7.8926(5)
_cell_length_b                   10.1888(7)
_cell_length_c                   14.0856(9)
_cell_measurement_reflns_used    3170
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      23.0
_cell_measurement_theta_min      2.35
_cell_volume                     1115.60(13)
_computing_cell_refinement       'Bruker AXS, SAINT'
_computing_data_collection       'Bruker AXS, SMART'
_computing_data_reduction        'Bruker AXS, SAINT'
_computing_molecular_graphics    'Bruker AXS, SHELXTL'
_computing_publication_material  'Bruker AXS, SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0775
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9355
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    1.153
_exptl_absorpt_correction_T_max  0.8812
_exptl_absorpt_correction_T_min  0.7200
_exptl_absorpt_correction_type   'sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       'rectangular shape, cut'
_exptl_crystal_F_000             563
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.610
_refine_diff_density_min         -0.370
_refine_diff_density_rms         0.070
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.04(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     636
_refine_ls_number_reflns         7609
_refine_ls_number_restraints     70
_refine_ls_restrained_S_all      11.338
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0435
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0370P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
_refine_ls_wR_factor_ref         0.0945
_reflns_number_gt                6543
_reflns_number_total             7609
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b211496h.txt
_cod_data_source_block           compound_5
_cod_original_cell_volume        1115.6(1)
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7012511