On the Road to a Termolecular Complex with Acetone: A Heterometallic Supramolecular Network {[Rh2(O2CCF3)4].μ2-OCMe2.[Cu4(O2CCF3)4]}
Evgeny V. Dikarev; Kristian W. Andreini; Marina A. Petrukhina; Inorganic Chemistry 43 (2004) 3219–3224; doi:10.1021/ic030340w

data_4310957
_publ_section_title
;
 On the Road to a Termolecular Complex with Acetone: A Heterometallic
 Supramolecular Network {[Rh2(O2CCF3)4].\m2-OCMe2.[Cu4(O2CCF3)4]}
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3219
_journal_page_last               3224
_journal_paper_doi               10.1021/ic030340w
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety
;
  [Rh2 (O2 C C F3)4] [Cu4 (O2 C C F3)4] (O C (C H3)2)
;
_chemical_formula_sum            'C19 H6 Cu4 F24 O17 Rh2'
_chemical_formula_weight         1422.22
_chemical_melting_point          ?
_chemical_name_systematic
;
  Catena[tetrakis(mu2-trifluoroacetato-O,O')-di-rhodium(II)-
  (mu2-O-acetone)-tetrakis(mu2-trifluoroacetato-O,O')-tetra-copper(I)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.3950(10)
_cell_angle_beta                 94.6990(10)
_cell_angle_gamma                107.5290(10)
_cell_formula_units_Z            2
_cell_length_a                   8.5009(5)
_cell_length_b                   11.1068(6)
_cell_length_c                   20.8409(12)
_cell_measurement_reflns_used    6895
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.22
_cell_volume                     1865.49(18)
_computing_cell_refinement       'SMART, SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-93 (Sheldrick, 1993)'
_computing_publication_material  'SHELXCIF-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.902
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '0.3 deg wide \w exposures'
_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  0.0159
_diffrn_reflns_av_sigmaI/netI    0.0219
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            16227
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.93
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         'none (area detector data)'
_exptl_absorpt_coefficient_mu    3.293
_exptl_absorpt_correction_T_max  0.7786
_exptl_absorpt_correction_T_min  0.3318
_exptl_absorpt_correction_type   'multi-scan (SADABS)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.532
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       needle
_exptl_crystal_F_000             1356
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.623
_refine_diff_density_min         -0.820
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     606
_refine_ls_number_reflns         8347
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0246
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0353P)^2^+1.5258P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0634
_refine_ls_wR_factor_ref         0.0645
_reflns_number_gt                7773
_reflns_number_total             8347
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic030340w_1.cif
_cod_data_source_block           '[Rh2(O2CCF3)4(Me2CO)Cu4(O2CCF3)4]_(5)'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_database_code               4310957