Synthesis of the Elusive <i>S</i> = <sup>1</sup>/<sub>2</sub> Star Structure: A Possible Quantum Spin Liquid Candidate.
Sorolla, 2nd, Maurice; Wang, Xiqu; Koo, Hyun-Joo; Whangbo, Myung-Hwan; Jacobson, Allan J.; Journal of the American Chemical Society 142 (2020) 5013–5016; doi:10.1021/jacs.0c00901

data_4134375
_publ_section_title
;
 Synthesis of the Elusive <i>S</i> = <sup>1</sup>/<sub>2</sub> Star
 Structure: A Possible Quantum Spin Liquid Candidate.
;
_journal_issue                   11
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5013
_journal_page_last               5016
_journal_paper_doi               10.1021/jacs.0c00901
_journal_volume                  142
_journal_year                    2020
_chemical_formula_sum            'C12 H50 Cu6 N6 O34.47 S8'
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_space_group_name_Hall           '-R 3'
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_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      123(2)
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_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'narrow frame \w scans'
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_diffrn_reflns_av_R_equivalents  0.0218
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_diffrn_reflns_Laue_measured_fraction_full 0.976
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_diffrn_reflns_limit_l_max       32
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_exptl_absorpt_coefficient_mu    3.047
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5522
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.021
_exptl_crystal_description       plate
_exptl_crystal_F_000             2225
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_refine_ls_restrained_S_all      1.200
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0249P)^2^+4.9908P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0686
_refine_ls_wR_factor_ref         0.0699
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1572
_reflns_number_total             1707
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja0c00901_si_002.cif
_cod_data_source_block           MS691
_cod_depositor_comments          'Adding full bibliography for 4134375.cif.'
_cod_original_cell_volume        3618(2)
_cod_database_code               4134375
_shelx_shelxl_version_number     2018/3
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_shelx_res_checksum              13781
_shelx_hkl_checksum              9724