Highly Stable Copper(I)-Based Metal-Organic Framework Assembled with Resorcin[4]arene and Polyoxometalate for Efficient Heterogeneous Catalysis of Azide-Alkyne "Click" Reaction.
Lu, Bing-Bing; Yang, Jin; Che, Guang-Bo; Pei, Wen-Yuan; Ma, Jian-Fang; ACS applied materials & interfaces 10 (2018) 2628–2636; doi:10.1021/acsami.7b17306

data_4514362
_publ_section_title
;
 Highly Stable Copper(I)-Based Metal-Organic Framework Assembled with
 Resorcin[4]arene and Polyoxometalate for Efficient Heterogeneous
 Catalysis of Azide-Alkyne &quot;Click&quot; Reaction.
;
_journal_issue                   3
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              2628
_journal_page_last               2636
_journal_paper_doi               10.1021/acsami.7b17306
_journal_volume                  10
_journal_year                    2018
_chemical_formula_moiety         'C140 H128 Cu4 N24 O48 Si W12 6H2O 2C3H7NO'
_chemical_formula_sum            'C146 H154 Cu4 N26 O56 Si W12'
_chemical_formula_weight         5657.39
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                95.26
_cell_angle_beta                 105.90
_cell_angle_gamma                98.58
_cell_formula_units_Z            1
_cell_length_a                   14.285
_cell_length_b                   16.578
_cell_length_c                   17.357
_cell_measurement_reflns_used    5624
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1206
_cell_measurement_theta_min      2.9079
_cell_volume                     3870.771
_computing_cell_refinement       CrysAlis
_computing_data_collection       10.2375
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2375
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.836
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini ultra'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_unetI/netI     0.1156
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.836
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28340
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.836
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.186
_diffrn_reflns_theta_min         2.914
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    9.516
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44737
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.427
_exptl_crystal_description       block
_exptl_crystal_F_000             2678
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.39
_refine_diff_density_max         2.003
_refine_diff_density_min         -1.590
_refine_diff_density_rms         0.233
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1027
_refine_ls_number_reflns         17523
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.1347
_refine_ls_R_factor_gt           0.0691
_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^)+(0.0594P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1390
_refine_ls_wR_factor_ref         0.1632
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9622
_reflns_number_total             17523
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am7b17306_si_002.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 4514362.cif.'
_cod_original_cell_volume        3870.8
_cod_database_code               4514362
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              33850
_shelx_hkl_checksum              39231
_platon_squeeze_void_probe_radius 1.20