Chiral 1,2-ethanediyl-spaced quaterpyridines give a library of cyclic and double helicates with copper(I)
Constable, Edwin C.; Housecroft, Catherine E.; Kulke, Torsten; Baum, Gerhard; Fenske, Dieter; Chemical Communications  (1999) 195–; doi:10.1039/a809230c

data_7110420
_publ_section_title
;
 Chiral 1,2-ethanediyl-spaced quaterpyridines give a library of cyclic and
 double helicates with copper(I)
;
_journal_issue                   2
_journal_name_full               'Chemical Communications'
_journal_page_first              195
_journal_paper_doi               10.1039/a809230c
_journal_year                    1999
_chemical_formula_sum            'C156 H182 Cu4 F24 N16 O3 P4'
_chemical_formula_weight         3163.22
_space_group_IT_number           1
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_symmetry_space_group_name_Hall  'P 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                111.00(3)
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_cell_length_a                   12.576(3)
_cell_length_b                   16.179(3)
_cell_length_c                   21.058(4)
_cell_measurement_temperature    203(2)
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_computing_cell_refinement       'STOE Software package'
_computing_data_collection       'STOE Software package'
_computing_data_reduction        'STOE Software package'
_computing_molecular_graphics    'SCHAKAL-92 (Keller, 1992)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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_diffrn_reflns_limit_l_min       -27
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_exptl_absorpt_coefficient_mu    0.660
_exptl_absorpt_correction_type   none
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_exptl_crystal_F_000             1646
_refine_diff_density_max         0.906
_refine_diff_density_min         -0.664
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.001(8)
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1637
_refine_ls_wR_factor_obs         0.1520
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_reflns_number_total             27400
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            809230csup1.cif
_cod_data_source_block           dimer
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3928.5(14)
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7110420