Epoxide activation by a silver phosphonate for heterogeneous catalysis of CO2 cycloaddition
Gao, Chao-Ying; Mao, Chen; Yang, Yang; Xu, Ning; Liu, Jinglin; Chen, Xiaohong; Liu, Jinghai; Duan, Limei; CrystEngComm 25 (2023) 108–113; doi:10.1039/D2CE01240E

data_7245784
_publ_section_title
;
 Epoxide activation by a silver phosphonate for heterogeneous catalysis of
 CO2 cycloaddition
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              108
_journal_page_last               113
_journal_paper_doi               10.1039/D2CE01240E
_journal_volume                  25
_journal_year                    2023
_chemical_formula_sum            'C3.88 H2.88 Ag0.62 N0.12 O1.62 P0.5'
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_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-08-28 deposited with the CCDC.	2022-11-10 downloaded from the CCDC.
;
_cell_angle_alpha                77.4970(10)
_cell_angle_beta                 86.2210(10)
_cell_angle_gamma                67.3010(10)
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_cell_length_b                   12.6891(7)
_cell_length_c                   14.2722(8)
_cell_measurement_reflns_used    6915
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.139
_cell_measurement_theta_min      1.778
_cell_volume                     1757.78(17)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.983
_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     0.0318
_diffrn_reflns_Laue_measured_fraction_full 0.984
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_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_number            10508
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.139
_diffrn_reflns_theta_min         1.778
_exptl_absorpt_coefficient_mu    2.987
_exptl_absorpt_correction_T_max  0.446
_exptl_absorpt_correction_T_min  0.342
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.420
_exptl_crystal_description       block
_exptl_crystal_F_000             1230
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.681
_refine_diff_density_min         -1.261
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_shift/su_max          0.089
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0376P)^2^+7.3056P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0702
_refine_ls_wR_factor_ref         0.0748
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6265
_reflns_number_total             6895
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2ce01240e3.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7245784.cif.'
_cod_original_formula_sum        'C3.88 H2.88 Ag0.62 N0.12 O1.62 P0.50'
_cod_database_code               7245784
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              73130
_shelx_hkl_checksum              39225