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_7009174
_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 Cu N5 O10.8675'
_chemical_formula_weight         777.34
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
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_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
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_cell_length_b                   14.447(7)
_cell_length_c                   24.912(12)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      15.5
_cell_measurement_theta_min      15.3
_cell_volume                     7429(6)
_computing_cell_refinement       'Enraf Nonius software'
_computing_data_collection       'Enraf Nonius software'
_computing_data_reduction        'xtal ADDREF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
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_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
 CAD4 diffractometer
;
_diffrn_measurement_method       '2\q-\w scans'
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_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_k_min       0
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_exptl_absorpt_correction_T_max  0.93
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_exptl_absorpt_process_details
;
 XTAL absorb                
;
_exptl_crystal_colour            blue
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_exptl_crystal_description       fragment
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_exptl_crystal_size_min          0.10
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_refine_diff_density_min         -.56
_refine_ls_extinction_coef       11328(1087)
_refine_ls_extinction_expression Eq22_p292_"Cryst._Comp."_Munksgaard_1970
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_all   1.705
_refine_ls_goodness_of_fit_ref   1.934
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_refine_ls_matrix_type           atomblock
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_refine_ls_shift/su_max          .09
_refine_ls_shift/su_mean         .007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         .066
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_reflns_limit_h_max              24
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_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_data_source_file            a909102e.txt
_cod_data_source_block           ge2a
_cod_original_sg_symbol_Hall     -p_2n_2ab
_cod_original_sg_symbol_H-M      P_b_c_n
_cod_original_formula_sum        'C35 H41 Cu1 N5 O10.8675'
_cod_database_code               7009174