Crystal structures of bis(dimethylformamide)tetrakis(ibuprofenato) dicopper(II) dimethylformamide solvate (1:2), Cu~2~(C~3~H~7~NO)~2~ (C~13~H~17~O~2~)~4~ · 2C~3~H~7~NO, and bis(dimethylsulfoxide) tetrakis(ibuprofenato)dicopper(II) dichloromethane solvate (1:2), Cu~2~(C~2~H~6~SO)~2~(C~13~H~17~O~2~)~4~ · 2CH~2~Cl~2~
Ahn-Thou, P.-N.; Lemoine, P.; Viossat, B.; Chaumei, J.-C.; Tomas, A.; Zeitschrift für Kristallographie - New Crystal Structures 222 (2007) 93–97; doi:

data_8102085
_publ_section_title
;
Crystal structures of bis(dimethylformamide)tetrakis(ibuprofenato)
dicopper(II) dimethylformamide solvate (1:2), Cu~2~(C~3~H~7~NO)~2~
(C~13~H~17~O~2~)~4~ &#x00B7; 2C~3~H~7~NO, and bis(dimethylsulfoxide)
tetrakis(ibuprofenato)dicopper(II) dichloromethane solvate (1:2), 
Cu~2~(C~2~H~6~SO)~2~(C~13~H~17~O~2~)~4~ &#x00B7; 2CH~2~Cl~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              93
_journal_page_last               97
_journal_volume                  222
_journal_year                    2007
_chemical_formula_sum            'C29 H41 Cu N O5'
_chemical_formula_weight         547.17
_chemical_name_systematic
;
[Cu~2~(Ibuprofenate)~4~(DMF)~2~] . xDMF
;
_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
_cell_angle_alpha                108.340(5)
_cell_angle_beta                 98.520(5)
_cell_angle_gamma                108.930(5)
_cell_formula_units_Z            2
_cell_length_a                   10.616(5)
_cell_length_b                   11.123(5)
_cell_length_c                   16.451(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      7.31
_cell_measurement_theta_min      2.12
_cell_volume                     1675.1(12)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994) [7]'
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994) [7]'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995) [8]'
_computing_molecular_graphics    'CAMERON [11]'
_computing_publication_material  'WinGX - Version 1.63.02 [12]'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997) [10]'
_computing_structure_solution    'SIR92 [9]'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       omega/2Theta
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0641
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5690
_diffrn_reflns_theta_full        64.93
_diffrn_reflns_theta_max         64.93
_diffrn_reflns_theta_min         2.95
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  1
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.340
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepipedic
_exptl_crystal_F_000             582
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.469
_refine_diff_density_min         -0.362
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         5690
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.062
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0975P)^2^+0.2540P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1510
_refine_ls_wR_factor_ref         0.1629
_reflns_number_gt                3506
_reflns_number_total             5690
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1945.cff
_cod_data_source_block           at75
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C29 H41 Cu1 N1 O5'
_cod_database_code               8102085