Lithium heterocuprates: the influence of the amido group on organoamidocuprate structures.
Bomparola, Roberta; Davies, Robert P.; Hornaeur, Stefan; White, Andrew J. P.; Dalton transactions (Cambridge, England : 2003) 43 (2014) 14359–14367; doi:10.1039/c4dt00965g

data_7031353
_publ_section_title
;
 Lithium heterocuprates: the influence of the amido group on
 organoamidocuprate structures.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14359
_journal_page_last               14367
_journal_paper_doi               10.1039/c4dt00965g
_journal_volume                  43
_journal_year                    2014
_chemical_absolute_configuration ad
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C38 H44 Cu2 F6 Li2 N2'
_chemical_formula_sum            'C38 H44 Cu2 F6 Li2 N2'
_chemical_formula_weight         783.71
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_b                   21.6688(8)
_cell_length_c                   8.1686(3)
_cell_measurement_reflns_used    9275
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      3.395
_cell_measurement_wavelength     0.71073
_cell_volume                     3719.6(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      -0.320196E-1
_diffrn_orient_matrix_UB_12      0.371289E-1
_diffrn_orient_matrix_UB_13      0.262212E-1
_diffrn_orient_matrix_UB_21      0.400991E-1
_diffrn_orient_matrix_UB_22      0.297654E-1
_diffrn_orient_matrix_UB_23      -0.326803E-1
_diffrn_orient_matrix_UB_31      -0.111146
_diffrn_orient_matrix_UB_32      0.424E-4
_diffrn_orient_matrix_UB_33      -0.193443E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_unetI/netI     0.0791
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       19
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_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            15440
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_diffrn_reflns_theta_max         26.01
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_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    1.202
_exptl_absorpt_correction_T_max  0.8218
_exptl_absorpt_correction_T_min  0.7532
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1616
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.345
_refine_diff_density_min         -0.561
_refine_diff_density_rms         0.091
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         7000
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0866
_refine_ls_R_factor_gt           0.0603
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0576P)^2^+6.7970P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1301
_refine_ls_wR_factor_ref         0.1438
_reflns_number_gt                5500
_reflns_number_total             7000
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00965g2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7031351--7031353.cif.'
_cod_original_sg_symbol_H-M      P2(1)2(1)2
_cod_database_code               7031353