Synthesis and Characterization of a Family of Systematically Varied Tris(2-pyridyl)methoxymethane Ligands: Copper(I) and Copper(II) Complexes
Robert T. Jonas; T. D. P. Stack; Inorganic Chemistry 37 (1998) 6615–6629; doi:10.1021/ic9713487

data_4323223
_publ_contact_author
;
T. D. P. Stack
Department of Chemistry
Stanford University
Stanford, CA 94305

;
_publ_contact_author_email       ' STACK@LELAND.STANFORD.EDU '
_publ_contact_author_fax         ' (650) 725-0259 '
_publ_contact_author_phone       ' (650) 725-8736 '
_publ_section_title
;
 Synthesis and Characterization of a Family of Systematically Varied
 Tris(2-pyridyl)methoxymethane Ligands: Copper(I) and Copper(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6615
_journal_page_last               6629
_journal_paper_doi               10.1021/ic9713487
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C23 H24 Cu F3 N4 O7 S'
_chemical_formula_weight         621.07
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_date             'Fri Jul  3 14:58:39 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                87.877(6)
_cell_angle_beta                 88.084(5)
_cell_angle_gamma                84.762(6)
_cell_formula_units_Z            2
_cell_length_a                   8.115(1)
_cell_length_b                   11.556(1)
_cell_length_c                   14.032(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    203.2
_cell_measurement_theta_max      39.0
_cell_measurement_theta_min      34.0
_cell_volume                     1308.9(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SAPI91
_diffrn_ambient_temperature      203.2
_diffrn_measurement_device       unknown
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.00807
_diffrn_orient_matrix_UB_12      -0.08659
_diffrn_orient_matrix_UB_13      -0.00422
_diffrn_orient_matrix_UB_21      -0.12336
_diffrn_orient_matrix_UB_22      0.00291
_diffrn_orient_matrix_UB_23      -0.00285
_diffrn_orient_matrix_UB_31      0.00822
_diffrn_orient_matrix_UB_32      0.00788
_diffrn_orient_matrix_UB_33      -0.07120
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7109
_diffrn_reflns_av_R_equivalents  5.07
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4791
_diffrn_reflns_theta_max         24.98
_diffrn_standards_decay_%        0.31
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.986
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.768
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            yllw/grn
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       block
_exptl_crystal_F_000             636.00
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.600
_exptl_crystal_size_min          0.600
_refine_diff_density_max         -1.00
_refine_diff_density_min         0.79
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   4.440
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     656
_refine_ls_number_reflns         4374
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0480
_refine_ls_shift/esd_max         0.1800
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0650
_reflns_number_observed          4374
_reflns_number_total             4791
_reflns_observed_criterion       3.00
_cod_data_source_file            ic9713487_02.cif
_cod_data_source_block           '[(L3)(CH3CN)Cu](OTf)'
_cod_original_cell_volume        1308.8(2)
_cod_original_sg_symbol_H-M      'P 1 '
_cod_original_formula_sum        'C23 H24 N4 O7 F3 S Cu'
_cod_database_code               4323223