Intercluster exchanges leading to hydride-centered bimetallic clusters: a multi-NMR, X-ray crystallographic, and DFT study.
Zhong, Yu-Jie; Liao, Jian-Hong; Chiu, Tzu-Hao; Wu, Ying-Yann; Kahlal, Samia; McGlinchey, Michael J.; Saillard, Jean-Yves; Liu, C. W.; Dalton transactions (Cambridge, England : 2003) 50 (2021) 4727–4734; doi:10.1039/d1dt00072a

data_7706836
_publ_section_title
;
 Intercluster exchanges leading to hydride-centered bimetallic clusters: a
 multi-NMR, X-ray crystallographic, and DFT study.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4727
_journal_page_last               4734
_journal_paper_doi               10.1039/d1dt00072a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C108 H255 Ag2 Cu19 O36 P18 S36'
_chemical_formula_weight         5264.72
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2020-12-18 deposited with the CCDC.	2021-03-11 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_length_c                   21.0510(9)
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_cell_volume                     10178.3(7)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0410
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_exptl_absorpt_correction_T_max  0.7454
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0902P)^2^+90.5090P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1845
_refine_ls_wR_factor_ref         0.1971
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14610
_reflns_number_total             17887
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           5a
_cod_depositor_comments
'Adding full bibliography for 7706835--7706837.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7706836
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              11176