Metal ion recognition. The interaction of cobalt(ii), nickel(ii), copper(ii), zinc(ii), cadmium(ii), silver(i) and lead(ii) with N-benzylated macrocycles incorporating O2N2-, O3N2- and O2N3-donor sets
Kim, Jeong; Ahn, Tae-Ho; Lee, Myungro; Leong, Anthony J.; Lindoy, Leonard F.; Rumbel, Brendan R.; Skelton, Brian W.; Strixner, Tania; Wei, Gang; White, Allan H.; Journal of the Chemical Society, Dalton Transactions  (2002) 3993–; doi:10.1039/b206106f

data_7011947
_publ_section_title
;
 Metal ion recognition. The interaction of cobalt(ii), nickel(ii),
 copper(ii), zinc(ii), cadmium(ii), silver(i) and lead(ii) with
 N-benzylated macrocycles incorporating O2N2-, O3N2- and O2N3-donor
 sets
;
_journal_issue                   21
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3993
_journal_paper_doi               10.1039/b206106f
_journal_year                    2002
_chemical_formula_sum            'C34 H38 Ag Cl N2 O7'
_chemical_formula_weight         730.01
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             02-06-05
_audit_creation_method           Xtal3.6
_cell_angle_alpha                98.247(2)
_cell_angle_beta                 95.733(2)
_cell_angle_gamma                94.399(2)
_cell_formula_units_Z            4
_cell_length_a                   11.9320(12)
_cell_length_b                   14.6630(15)
_cell_length_c                   19.441(2)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    293
_cell_measurement_theta_max      22.1
_cell_measurement_theta_min      1.3
_cell_volume                     3335.0(6)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .024
_diffrn_reflns_av_sigmaI/netI    .125
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            39106
_diffrn_reflns_theta_max         28.87
_diffrn_reflns_theta_min         1.07
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    .73
_exptl_absorpt_correction_T_max  .928
_exptl_absorpt_correction_T_min  .830
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_description       plate
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          .17
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .07
_refine_diff_density_max         .89
_refine_diff_density_min         -.394
_refine_ls_goodness_of_fit_all   1.905
_refine_ls_goodness_of_fit_ref   1.514
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     895
_refine_ls_number_reflns         9244
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .083
_refine_ls_R_factor_gt           .04
_refine_ls_shift/su_max          .009
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .068
_refine_ls_wR_factor_ref         .04
_reflns_d_resolution_high        .736
_reflns_d_resolution_low         19.045
_reflns_limit_h_max              16
_reflns_limit_h_min              0
_reflns_limit_k_max              19
_reflns_limit_k_min              -19
_reflns_limit_l_max              25
_reflns_limit_l_min              -25
_reflns_number_gt                9244
_reflns_number_total             15960
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b206106f.txt
_cod_data_source_block           jko3
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      p_-1
_cod_original_formula_sum        'C34 H38 Ag1 Cl1 N2 O7'
_cod_database_code               7011947