Antiferromagnetism induced by successive protonation of terminal phenol groups of a bis(μ-phenoxide)-bridged dicopper(II,II) complex
Saimiya, Hiromi; Sunatsuki, Yukinari; Kojima, Masaaki; Kashino, Setsuo; Kambe, Takashi; Hirotsu, Masakazu; Akashi, Haruo; Nakajima, Kiyohiko; Tokii, Tadashi; Journal of the Chemical Society, Dalton Transactions  (2002) 3737–3742; doi:10.1039/B201741E

data_7702808
_publ_section_title
;
 Antiferromagnetism induced by successive protonation of terminal phenol
 groups of a bis(\m-phenoxide)-bridged dicopper(II,II) complex
;
_journal_coden_ASTM              JCSDAA
_journal_issue                   19
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3737
_journal_page_last               3742
_journal_paper_doi               10.1039/B201741E
_journal_year                    2002
_chemical_formula_moiety         '[Cu2(L)2]'
_chemical_formula_sum            'C36 H44 Cu2 N4 O4'
_chemical_formula_weight         723.86
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.337(7)
_cell_angle_beta                 102.475(5)
_cell_angle_gamma                87.414(6)
_cell_formula_units_Z            1
_cell_length_a                   9.608(1)
_cell_length_b                   9.692(2)
_cell_length_c                   9.180(1)
_cell_measurement_reflns_used    5376
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     808.6(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9519
_diffrn_measured_fraction_theta_max 0.9519
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4699
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.362
_exptl_absorpt_correction_T_max  0.767
_exptl_absorpt_correction_T_min  0.669
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.86
_refine_diff_density_min         -0.58
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.644
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     208
_refine_ls_number_reflns         3110
_refine_ls_R_factor_gt           0.0582
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[ s^2^(Fo) + 0.00063&#x00A6;Fo&#x00A6;^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0849
_reflns_number_gt                3110
_reflns_number_total             3521
_reflns_threshold_expression     'F^2^>2.0 s(F^2^)'
_cod_data_source_file            b201741e.txt
_cod_data_source_block           compound2
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C36 H44 Cu2 N4 O4 '
_cod_database_code               7702808