Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters.
Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li; Nanoscale 12 (2020) 20230–20238; doi:10.1039/d0nr05822j

data_1559291
_publ_section_title
;
 Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster
 pairs: highly efficient and stable Lewis catalysis fields frustrated in
 crystalline nanoclusters.
;
_journal_issue                   39
_journal_name_full               Nanoscale
_journal_page_first              20230
_journal_page_last               20238
_journal_paper_doi               10.1039/d0nr05822j
_journal_volume                  12
_journal_year                    2020
_chemical_formula_sum            'C60 H70 Ge9 Mo68 N12 O209'
_chemical_formula_weight         11480.50
_space_group_crystal_system      cubic
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-05-15 deposited with the CCDC.	2020-09-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   42.593(2)
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Diamond 3.0'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      240(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0196
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.977
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_diffrn_reflns_limit_h_min       -47
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_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       47
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_diffrn_reflns_point_group_measured_fraction_full 0.978
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_diffrn_reflns_theta_max         23.499
_diffrn_reflns_theta_min         2.485
_exptl_absorpt_coefficient_mu    2.880
_exptl_absorpt_correction_T_max  0.2565
_exptl_absorpt_correction_T_min  0.2215
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.974
_exptl_crystal_description       plate
_exptl_crystal_F_000             42640
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
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_refine_diff_density_max         2.458
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_restrained_S_all      1.451
_refine_ls_R_factor_all          0.0977
_refine_ls_R_factor_gt           0.0727
_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^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1906
_refine_ls_wR_factor_ref         0.2035
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1924
_reflns_number_total             2772
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nr05822j2.cif
_cod_data_source_block           2_CCDC1
_cod_depositor_comments
'Adding full bibliography for 1559289--1559291.cif.'
_cod_original_cell_volume        77270(11)
_cod_database_code               1559291
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