Complexes of amidic ligands derived from lactic acid: Equilibrium, synthesis and crystal structure of copper(II) complexes.
N.Tounsi; L.Dupont; C.Cadiou; A.Mohamadou; R.Plantier-Royon; F.Massicot; C.Portella; M.Aplincourt; New J.Chem.(Nouv.J.Chim.)  (2004) –; doi:

data_7050290
_publ_section_title
;
Complexes of amidic ligands derived from lactic acid:
Equilibrium, synthesis and crystal structure of copper(II) complexes.
;
_journal_name_full               'New J.Chem.(Nouv.J.Chim.)'
_journal_year                    2004
_chemical_formula_moiety         '[Cu(LH-1)Br].H2O'
_chemical_formula_sum            'C9 H13 Br Cu N2 O3'
_chemical_formula_weight         339.64
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.357(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.0535(1)
_cell_length_b                   19.3293(7)
_cell_length_c                   7.3828(2)
_cell_measurement_reflns_used    3182
_cell_measurement_temperature    173
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      1.4
_cell_volume                     577.96(3)
_diffrn_ambient_temperature      173
_diffrn_measurement_details
;
3182 reflections were collected using program Collect
("Collect" Data collection software, Nonius B.V., 1998)
The conditions were as follow : crystal to detector distance ==  36. mm.
Scan angle ==  2.0 deg 1 scans of   40 sec per frame.
Data collection was divided into  2 set(s)
with the following starting angles and number of frames :
Set 1 Theta ==    8.80 Omega ==    0.00 Kappa ==    0.00  113 frames
Set 2 Theta ==   -8.50 Kappa ==  134.00 Phi   ==    0.00   23 frames
Friedel pairs were averaged. Internal R == 0.05
;
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3182
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    5.338
_exptl_absorpt_correction_T_max  0.726
_exptl_absorpt_correction_T_min  0.688
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.94
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             332
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.149
_refine_diff_density_min         -1.426
_refine_ls_abs_structure_details 'Flack H D  (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(2)
_refine_ls_extinction_coef       ?
_refine_ls_extinction_expression ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.262
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     144
_refine_ls_number_reflns         2507
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.049
_refine_ls_R_factor_gt           0.033
_refine_ls_shift/esd_mean        0.001
_refine_ls_shift/su_max          0.005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.067
_refine_ls_wR_factor_ref         0.041
_reflns_number_gt                2507
_reflns_number_total             3182
_reflns_threshold_expression     >3.0\s(I)
_cod_original_sg_symbol_Hall     ' P 2yb'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7050290