Hetero di- and trinuclear Cu-Gd complexes with trifluoroacetate bridges: synthesis, structural and magnetic studies.
Novitchi, Ghenadie; Shova, Sergiu; Caneschi, Andrea; Costes, Jean-Pierre; Gdaniec, Maria; Stanica, Nicolae; Dalton transactions (Cambridge, England : 2003)  (2004) 1194–1200; doi:10.1039/b312186k

data_7013688
_publ_section_title
;
 Hetero di- and trinuclear Cu-Gd complexes with trifluoroacetate
 bridges: synthesis, structural and magnetic studies.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1194
_journal_page_last               1200
_journal_paper_doi               10.1039/b312186k
_journal_year                    2004
_chemical_formula_sum            'C43 H38 Cu2 Dy F9 N4 O11'
_chemical_formula_weight         1247.35
_chemical_name_common            2
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 96.13(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.034(4)
_cell_length_b                   11.701(2)
_cell_length_c                   22.351(4)
_cell_measurement_temperature    130
_cell_volume                     4689.4(16)
_computing_cell_refinement
'(Version 1.168 (release 08.03.2001 CrysAlis168 BETA))'
_computing_data_collection       'CrysAlis CCD'
_computing_data_reduction
'(Version 1.168 (release 08.03.2001 CrysAlis168 BETA))'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Kuma KM4CCD'
_diffrn_measurement_method       omega-phi
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0246
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            24990
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.41
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.574
_exptl_absorpt_correction_T_max  0.627
_exptl_absorpt_correction_T_min  0.466
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_process_details
'XEMP ver. 4.2. Siemens Analytical X-ray Inst. Inc. 1990'
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.767
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2468
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.559
_refine_diff_density_min         -1.251
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         9562
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.139
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0274P)^2^+12.9188P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0762
_refine_ls_wR_factor_ref         0.0795
_reflns_number_gt                8439
_reflns_number_total             9562
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b312186k.txt
_cod_data_source_block           2
_cod_database_code               7013688