Macrocyclic ligand design. Interaction of selected transition and post-transition metal ions with a new N2O2-donor macrocycle incorporating a pyridylmethyl pendant arm
Atkinson, Ian M.; Chartres, Jy D.; Everett, Grover W.; Ji, Xue-Kui; Lindoy, Leonard F.; Matthews, Owen A.; Meehan, George V.; Skelton, Brian W.; Wei, Gang; White, Allan H.; Journal of the Chemical Society, Dalton Transactions  (2000) 1191–; doi:10.1039/a909102e

data_7009176
_publ_section_title
;
 Macrocyclic ligand design. Interaction of selected transition and
 post-transition metal ions with a new N2O2-donor macrocycle
 incorporating a pyridylmethyl pendant arm
;
_journal_issue                   7
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1191
_journal_paper_doi               10.1039/a909102e
_journal_year                    2000
_chemical_formula_sum            'C35 H41 Cl N4 O9 Pb'
_chemical_formula_weight         904.39
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   26.4940(17)
_cell_length_b                   12.4426(8)
_cell_length_c                   22.0460(14)
_cell_measurement_reflns_used    8013
_cell_measurement_temperature    293
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     7267.6(8)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  xtal
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'single counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .032
_diffrn_reflns_av_sigmaI/netI    .115
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            84511
_diffrn_reflns_theta_max         29.15
_diffrn_reflns_theta_min         1.54
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    4.775
_exptl_absorpt_correction_T_max  .564
_exptl_absorpt_correction_T_min  .327
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.653
_exptl_crystal_description       plate
_exptl_crystal_F_000             3600
_exptl_crystal_size_max          .40
_exptl_crystal_size_mid          .40
_exptl_crystal_size_min          .10
_refine_diff_density_max         1.132
_refine_diff_density_min         -.714
_refine_ls_extinction_coef       .00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.104
_refine_ls_goodness_of_fit_ref   1.276
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     464
_refine_ls_number_reflns         5639
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .077
_refine_ls_R_factor_gt           .033
_refine_ls_shift/su_max          .052
_refine_ls_shift/su_mean         .003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .045
_refine_ls_wR_factor_ref         .04
_reflns_d_resolution_high        .73
_reflns_d_resolution_low         13.247
_reflns_limit_h_max              36
_reflns_limit_h_min              0
_reflns_limit_k_max              17
_reflns_limit_k_min              0
_reflns_limit_l_max              30
_reflns_limit_l_min              0
_reflns_number_gt                5639
_reflns_number_total             9438
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            a909102e.txt
_cod_data_source_block           ll100
_cod_original_sg_symbol_Hall     -p_2ab_2ac
_cod_original_sg_symbol_H-M      P_c_c_n
_cod_original_formula_sum        'C35 H41 Cl1 N4 O9 Pb1'
_cod_database_code               7009176