Reactivity of Nickel(II) and Copper(II) Complexes of a β-Aminohydrazone Ligand with Pyridine-2-aldehyde: Macrocyclization vs Unprecedented Pyrazole Ring Synthesis via C-C Bond-Forming Reaction
Oindrila Das; Ennio Zangrando; Tapan Kanti Paine; Inorganic Chemistry 50 (2011) 8012–8019; doi:10.1021/ic200261j

data_4325998
_publ_section_title
;
 Reactivity of Nickel(II) and Copper(II) Complexes of a \b-Aminohydrazone
 Ligand with Pyridine-2-aldehyde: Macrocyclization vs Unprecedented
 Pyrazole Ring Synthesis via C-C Bond-Forming Reaction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8012
_journal_page_last               8019
_journal_paper_doi               10.1021/ic200261j
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C20 H35 Cu N7 2+, 2(Cl O4 1-)'
_chemical_formula_sum            'C20 H35 Cl2 Cu N7 O8'
_chemical_formula_weight         635.99
_chemical_name_systematic
;
 ?
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                71.354(8)
_cell_angle_beta                 79.046(9)
_cell_angle_gamma                79.586(9)
_cell_formula_units_Z            4
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_cell_measurement_temperature    293(2)
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_computing_cell_refinement       'Bruker Apex II'
_computing_data_collection       'APEX2 v2.1-0 (Bruker AXS)'
_computing_data_reduction        'Bruker Apex II'
_computing_molecular_graphics    'Ortep3/windows (Farrugia,1997)'
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_computing_structure_refinement  'SHELX97 (Sheldrick, 1998)'
_computing_structure_solution    'SHELX97 (Sheldrick, 1998)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker Apex II CCD'
_diffrn_measurement_method       'w/ and f/ scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_min       -7
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_diffrn_reflns_theta_full        17.17
_diffrn_reflns_theta_max         17.17
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_exptl_absorpt_coefficient_mu    1.051
_exptl_absorpt_correction_T_max  0.72
_exptl_absorpt_correction_T_min  0.68
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.1131
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1548P)^2^+13.4843P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2027
_refine_ls_wR_factor_ref         0.2400
_reflns_number_gt                2223
_reflns_number_total             3201
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic200261j_si_003.cif
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_cod_database_code               4325998