Linear or Cyclic Clusters of Cu(II) with a Hierarchical Relationship.
Craig, Gavin A.; Schütze, Mike; Aguilà, David; Roubeau, Olivier; Ribas-Ariño, Jordi; Vela, Sergi; Teat, Simon J.; Aromí, Guillem; Inorganic chemistry 53 (2014) 3290–; doi:10.1021/ic402647t

data_4338016
_publ_section_title
;
 Linear or Cyclic Clusters of Cu(II) with a Hierarchical Relationship.
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3290
_journal_paper_doi               10.1021/ic402647t
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C214 H140 Cu16 N46 O19, 5(C5 H5 N)'
_chemical_formula_sum            'C239 H165 Cu16 N51 O19'
_chemical_formula_weight         5071.85
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_diffrn_measured_fraction_theta_full 0.847
_diffrn_measured_fraction_theta_max 0.843
_diffrn_measurement_device_type  'Bruker APEX II CCD diffractometer'
_diffrn_measurement_method       '\w rotation with narrow frames'
_diffrn_radiation_monochromator  'silicon 111'
_diffrn_radiation_source         'Advanced Light Source station 11.3.1'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7749
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_av_unetI/netI     0.1585
_diffrn_reflns_Laue_measured_fraction_full 0.847
_diffrn_reflns_Laue_measured_fraction_max 0.843
_diffrn_reflns_limit_h_max       20
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_diffrn_reflns_limit_l_min       -24
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_diffrn_reflns_point_group_measured_fraction_full 0.847
_diffrn_reflns_point_group_measured_fraction_max 0.843
_diffrn_reflns_theta_full        21.850
_diffrn_reflns_theta_max         21.900
_diffrn_reflns_theta_min         3.011
_exptl_absorpt_coefficient_mu    2.137
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.334
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS Bruker AXS Madison WI US'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.10
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_platon_squeeze_details
;
;
_refine_diff_density_max         1.308
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         16264
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.2602
_refine_ls_R_factor_gt           0.2020
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0012P)^2^+1409.7310P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                9603
_reflns_number_total             16264
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic402647t_si_004.cif
_cod_data_source_block           M10Giso
_cod_depositor_comments
'Adding full bibliography for 4338014--4338017.cif.'
_cod_database_code               4338016
_shelx_estimated_absorpt_t_min   0.81
_shelx_estimated_absorpt_t_max   0.95
_shelxl_version_number           2013-3
_shelx_res_checksum              73969
_shelx_hkl_checksum              7318