A unique methoxo- and fluoro-bridged triangular trinuclear Cu(ii) species linked in a lattice via mononuclear Cu(ii) units. Synthesis, X-ray structure and magnetism of [Cu4(2-aminopyrimidine)6(�3-OCH3)2(�-F)3(F)2](BF4)Electronic supplementary information (ESI) available: fitting of the magnetic coupling according to Scheme 2(a). See http://www.rsc.org/suppdata/nj/b3/b304979e/
van Albada, Gerard A.; Roubeau, Olivier; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan; New Journal of Chemistry 27 (2003) 1693–; doi:10.1039/b304979e

data_7050625
_publ_section_title
;
 A unique methoxo- and fluoro-bridged triangular trinuclear Cu(ii)
 species linked in a lattice via mononuclear Cu(ii) units. Synthesis,
 X-ray structure and magnetism of
 [Cu4(2-aminopyrimidine)6(&#xFFFD;3-OCH3)2(&#xFFFD;-F)3(F)2](BF4)Electronic
 supplementary information (ESI) available: fitting of the magnetic
 coupling according to Scheme 2(a). See
 http://www.rsc.org/suppdata/nj/b3/b304979e/
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1693
_journal_paper_doi               10.1039/b304979e
_journal_volume                  27
_journal_year                    2003
_chemical_formula_moiety         'C26 H36 Cu4 F5 N18 O2, B F4'
_chemical_formula_sum            'C26 H36 B Cu4 F9 N18 O2'
_chemical_formula_weight         1068.70
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.64(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.899(6)
_cell_length_b                   21.435(8)
_cell_length_c                   16.727(7)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      7.0
_cell_measurement_theta_min      3.5
_cell_volume                     4043(3)
_computing_cell_refinement       'Rigaku AFC-7S software'
_computing_data_collection       'Rigaku AFC-7S software'
_computing_data_reduction        Texsan
_computing_molecular_graphics    'SHELXTL-PC  V. 5.03 (Sheldrick, 1995)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Rigaku AFC-7S'
_diffrn_measurement_method       omega-2theta
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1482
_diffrn_reflns_av_sigmaI/netI    0.2075
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7437
_diffrn_reflns_theta_full        25.30
_diffrn_reflns_theta_max         25.30
_diffrn_reflns_theta_min         2.57
_diffrn_standards_decay_%        <2.0
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.170
_exptl_absorpt_correction_T_max  0.897
_exptl_absorpt_correction_T_min  0.683
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
'North etal. (1968). Acta Cryst. A24, 351-359'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2144
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.866
_refine_diff_density_min         -0.655
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.902
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         3654
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.902
_refine_ls_R_factor_all          0.1752
_refine_ls_R_factor_gt           0.0735
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w==1/[\s^2^(Fo^2^)+(0.0528P)^2^+0.0000P] where P==(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1402
_refine_ls_wR_factor_ref         0.1711
_reflns_number_gt                1623
_reflns_number_total             3654
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b304979e.txt
_cod_data_source_block           cuamp5
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7050625