Cu(ii) and Ni(ii) complexes with dipyridine-containing macrocyclic polyamines with different binding unitsElectronic supplementary information (ESI) available: selected bond lengths [Å] and angles [°] for [CuL1](ClO4)2 (Table S1) and for [NiL1](ClO4)2 (Table S2); absorption spectra of L2 in the presence of Cu(ii) (1 ∶ 1 molar ratio) at different pH values (Fig. S1). See http://www.rsc.org/suppdata/dt/b2/b211904h/
Anda, Carmen; Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Fornasari, Patrizia; Giorgi, Claudia; Valtancoli, Barbara; Lodeiro, Carlos; Jorge Parola, A.; Pina, Fernando; Dalton Transactions  (2003) 1299–; doi:10.1039/b211904h

data_7012543
_publ_section_title
;
 Cu(ii) and Ni(ii) complexes with dipyridine-containing macrocyclic
 polyamines with different binding unitsElectronic supplementary
 information (ESI) available: selected bond lengths [\%A] and angles
 [\%] for [CuL1](ClO4)2 (Table S1) and for [NiL1](ClO4)2 (Table S2);
 absorption spectra of L2 in the presence of Cu(ii) (1 &#x2236; 1 molar
 ratio) at different pH values (Fig. S1). See
 http://www.rsc.org/suppdata/dt/b2/b211904h/
;
_journal_issue                   7
_journal_name_full               'Dalton Transactions'
_journal_page_first              1299
_journal_paper_doi               10.1039/b211904h
_journal_year                    2003
_chemical_formula_moiety
;
(C20 H31 N7 Ni 2+), (Cl O4 -1)2
;
_chemical_formula_sum            'C20 H31 Cl2 N7 Ni O8'
_chemical_formula_weight         627.13
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.359(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.7484(6)
_cell_length_b                   11.2278(6)
_cell_length_c                   19.6420(10)
_cell_measurement_reflns_used    35
_cell_measurement_temperature    298
_cell_measurement_theta_max      40
_cell_measurement_theta_min      20
_cell_volume                     2579.6(2)
_computing_cell_refinement       'Saint\Bruker CCD'
_computing_data_collection       'Smart\Bruker CCD'
_computing_data_reduction        'Saint\Bruker CCD'
_computing_molecular_graphics    'ORTEP3 Ver. 1.01\b (Farrugia, 1997)'
_computing_publication_material  'PARST93 (Nardelli, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare 1997)'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 0.911
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  'crossed Gobels mirrors'
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0415
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7612
_diffrn_reflns_theta_full        53.19
_diffrn_reflns_theta_max         53.19
_diffrn_reflns_theta_min         3.78
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    3.520
_exptl_absorpt_correction_T_max  0.70
_exptl_absorpt_correction_T_min  0.55
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.625
_refine_diff_density_min         -0.309
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.190
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         2762
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.190
_refine_ls_R_factor_all          0.0963
_refine_ls_R_factor_gt           0.0805
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0748P)^2^+9.3136P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1772
_refine_ls_wR_factor_ref         0.1852
_reflns_number_gt                2355
_reflns_number_total             2762
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b211904h.txt
_cod_data_source_block           '[NiL1](ClO4)2'
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7012543