Structural studies of copper(ii) complexes with 2-(2-aminoethyl)pyridine derived Schiff bases and application as precursors of thin organic-inorganic layers.
Barwiolek, Magdalena; Szlyk, Edward; Berg, Andrzej; Wojtczak, Andrzej; Muziol, Tadeusz; Jezierska, Julia; Dalton transactions (Cambridge, England : 2003) 43 (2014) 9924–9933; doi:10.1039/c4dt00654b

data_7030482
_publ_section_title
;
 Structural studies of copper(ii) complexes with 2-(2-aminoethyl)pyridine
 derived Schiff bases and application as precursors of thin
 organic-inorganic layers.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9924
_journal_page_last               9933
_journal_paper_doi               10.1039/c4dt00654b
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety
'(Cu 2+) (Cl -1) (C22 H27 N2 O -1)0.0417(H2O)'
_chemical_formula_sum            'C22 H29.08 Cl Cu N2 O1.04'
_chemical_formula_weight         437.21
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.6390(10)
_cell_angle_beta                 106.6390(10)
_cell_angle_gamma                106.6390(10)
_cell_formula_units_Z            6
_cell_length_a                   15.8718(2)
_cell_length_b                   15.8718(2)
_cell_length_c                   15.8718(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3362.10(9)
_computing_data_collection       'CrysAlis CCD'
_computing_data_reduction        'CrysAlis RED 171'
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Oxford Sapphire CCD diffractometer'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0844
_diffrn_reflns_av_sigmaI/netI    0.0538
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22072
_diffrn_reflns_theta_full        27.09
_diffrn_reflns_theta_max         27.09
_diffrn_reflns_theta_min         2.45
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.107
_exptl_absorpt_correction_T_max  0.8256
_exptl_absorpt_correction_T_min  0.5423
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'CrysAlis CCD, Oxford 2001'
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1377
_exptl_crystal_size_max          0.63
_exptl_crystal_size_mid          0.49
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.551
_refine_diff_density_min         -0.270
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     252
_refine_ls_number_reflns         4873
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0658P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1060
_refine_ls_wR_factor_ref         0.1103
_reflns_number_gt                3560
_reflns_number_total             4873
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00654b1.cif
_cod_data_source_block           mb33-r-3i
_cod_depositor_comments
'Adding full bibliography for 7030482--7030483.cif.'
_cod_original_cell_volume        3362.10(7)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7030482