X-Ray crystal structures of copper(II) and cobalt(II) complexes with Schiff base ligands. Reactivity towards dioxygen
Francis Carré; Robert J. P. Corriu; Emmanuelle Lancelle-Beltran; Ahmad Mehdi; Catherine Reyé; Roger Guilard; Jan Sýkora; Arie van der Lee; Dalton Trans.  (2003) 3211–3215; doi:10.1039/b304032a

data_7013075
_publ_section_title
;
 X-Ray crystal structures of copper(II) and cobalt(II) complexes with
 Schiff base ligands. Reactivity towards dioxygen
;
_journal_issue                   16
_journal_name_full               'Dalton Trans.'
_journal_page_first              3211
_journal_page_last               3215
_journal_paper_doi               10.1039/b304032a
_journal_year                    2003
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C75 Co1 N5 O5 Si3 '
_chemical_formula_sum            'C75 Co N5 O5 Si3'
_chemical_formula_weight         1194.05
_chemical_melting_point          ?
_chemical_name_systematic
;
[N,N'-(3,3'-dipropylmethylaminebis(salicylideneaminato)
N-propyltrimethylsilyl]cobalt
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 92.79
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.137
_cell_length_b                   15.949
_cell_length_c                   58.548
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     12252.554
_computing_data_collection
;
P3-Siemens software
;
_computing_data_reduction
;
XDISK (P3-Siemens software)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material
;
CRYSTALS (Watkin et al 2001)
;
_computing_structure_refinement
;
CRYSTALS (Watkin et al 2001)
;
_computing_structure_solution
;
SIR92 (Altomare et al, 1994)
;
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
;
P3 Siemens 4-circle diffractometer
;
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.11
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -69
_diffrn_reflns_number            21365
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.396
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  1.00
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' white '
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_density_meas      ?
_exptl_crystal_description       ' prism '
_exptl_crystal_F_000             4757.915
_exptl_crystal_size_max          0.00
_exptl_crystal_size_mid          0.00
_exptl_crystal_size_min          0.00
_refine_diff_density_max         6.56
_refine_diff_density_min         -1.63
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.8673
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     357
_refine_ls_number_reflns         3944
_refine_ls_R_factor_gt           0.1722
_refine_ls_shift/su_max          0.233608
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Method== Unit weights
W == 1.0

;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1830
_reflns_limit_h_max              15
_reflns_limit_h_min              -15
_reflns_limit_k_max              19
_reflns_limit_k_min              0
_reflns_limit_l_max              69
_reflns_limit_l_min              0
_reflns_number_gt                3944
_reflns_number_total             10788
_reflns_threshold_expression     >2.00\s(I)
_cod_data_source_file            b304032a.txt
_cod_data_source_block           2cu
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_original_cell_volume        2252.5547(5)
_cod_original_sg_symbol_H-M      'I 1 2/a 1 '
_cod_original_formula_sum        ' C75 Co1 N5 O5 Si3 '
_cod_database_code               7013075