Polynuclear complexes of macrocyclic oxamide with 5-sulfosalicylate: syntheses, crystal structures and magnetic properties.
Sun, Ya-Qiu; Fan, Lan-Lan; Gao, Dong-Zhao; Wang, Qing-Lun; Du, Miao; Liao, Dai-Zheng; Zhang, Chen-Xi; Dalton transactions (Cambridge, England : 2003) 39 (2010) 9654–9661; doi:10.1039/c0dt00082e

data_7025959
_publ_section_title
;
 Polynuclear complexes of macrocyclic oxamide with 5-sulfosalicylate:
 syntheses, crystal structures and magnetic properties.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9654
_journal_page_last               9661
_journal_paper_doi               10.1039/c0dt00082e
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C90 H76 Cu6 N16 O22 S2'
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_chemical_name_systematic
;
?
;
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_atom_sites_solution_primary     direct
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_cell_formula_units_Z            1
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_cell_length_b                   12.7099(14)
_cell_length_c                   14.5477(16)
_cell_measurement_reflns_used    3275
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.67
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_cell_volume                     2153.7(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    1.592
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.608828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            BLUE
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1126
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_exptl_crystal_size_min          0.20
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0684P)^2^+4.5938P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00082e.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7025959