Synthesis, structural and magnetic properties of a series of copper(II) complexes containing a monocarboxylated perchlorotriphenylmethyl radical as a coordinating open-shell ligand.
Maspoch, D.; Ruiz-Molina, D; Wurst, K.; Vidal-Gancedo, J; Rovira, C.; Veciana, J.; Dalton transactions (Cambridge, England : 2003)  (2004) 1073–1082; doi:10.1039/b316458f

data_7013916
_publ_section_title
;
 Synthesis, structural and magnetic properties of a series of
 copper(II) complexes containing a monocarboxylated
 perchlorotriphenylmethyl radical as a coordinating open-shell ligand.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1073
_journal_page_last               1082
_journal_paper_doi               10.1039/b316458f
_journal_year                    2004
_chemical_formula_moiety         'C44 H40 Au2 N8, 2(H2O), 2(Br)'
_chemical_formula_sum            'C44 H44 Au2 Br2 N8 O2'
_chemical_formula_weight         1270.61
_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             03-10-10
_audit_creation_method           Xtal3.6
_cell_angle_alpha                100.856(2)
_cell_angle_beta                 91.948(2)
_cell_angle_gamma                84.965(2)
_cell_formula_units_Z            1
_cell_length_a                   8.6625(6)
_cell_length_b                   10.4771(8)
_cell_length_c                   11.7300(8)
_cell_measurement_reflns_used    5541
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      37.9
_cell_measurement_theta_min      2.9
_cell_volume                     1041.34(13)
_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      150(2)
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max .99
_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  .040
_diffrn_reflns_av_sigmaI/netI    .057
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21521
_diffrn_reflns_theta_full        37.3
_diffrn_reflns_theta_max         37.5
_diffrn_reflns_theta_min         1.77
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.003
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  .49
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.026
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bar
_exptl_crystal_F_000             608
_exptl_crystal_size_max          .22
_exptl_crystal_size_mid          .09
_exptl_crystal_size_min          .05
_refine_diff_density_max         4.423
_refine_diff_density_min         -3.729
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.023
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     262
_refine_ls_number_reflns         9035
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .053
_refine_ls_R_factor_gt           .042
_refine_ls_shift/su_max          .002
_refine_ls_shift/su_mean         .00009
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .056
_refine_ls_wR_factor_ref         .053
_reflns_d_resolution_high        .584
_reflns_d_resolution_low         11.492
_reflns_Friedel_coverage         0
_reflns_limit_h_max              14
_reflns_limit_h_min              0
_reflns_limit_k_max              17
_reflns_limit_k_min              -17
_reflns_limit_l_max              20
_reflns_limit_l_min              -19
_reflns_number_gt                9035
_reflns_number_total             10675
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b316458f.txt
_cod_data_source_block           pb125
_cod_original_cell_volume        1041.3(1)
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_database_code               7013916