<i>In situ</i> generated 2,5-pyrazinedicarboxylate and oxalate ligands leading to a Eu-MOF for selective capture of C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub>.
Liang, Fenglan; Ma, Deyun; Qin, Liang; Yu, Qiuqun; Chen, Jing; Liang, Rongxi; Zhong, Changheng; Liao, Huanzong; Peng, Zhiyi; Dalton transactions (Cambridge, England : 2003) 53 (2024) 10070–10074; doi:10.1039/d4dt01168f

data_7716307
_publ_section_title
;
 <i>In situ</i> generated 2,5-pyrazinedicarboxylate and oxalate ligands
 leading to a Eu-MOF for selective capture of C<sub>2</sub>H<sub>2</sub>
 from C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub>.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10070
_journal_page_last               10074
_journal_paper_doi               10.1039/d4dt01168f
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C10 H20 Eu2 N2 O21'
_chemical_formula_weight         808.20
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-03-01 deposited with the CCDC.	2024-06-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.557(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.5241(4)
_cell_length_b                   13.6671(3)
_cell_length_c                   12.3015(4)
_cell_measurement_reflns_used    3392
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.0140
_cell_measurement_theta_min      3.2640
_cell_volume                     2238.38(12)
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0463
_diffrn_reflns_av_unetI/netI     0.0588
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8084
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.250
_diffrn_reflns_theta_max         67.250
_diffrn_reflns_theta_min         3.320
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    40.680
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            WHITE
_exptl_crystal_density_diffrn    2.398
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.538
_refine_diff_density_min         -1.109
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4007
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0441
_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^)+(0.0596P)^2^+1.2607P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1082
_refine_ls_wR_factor_ref         0.1186
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3079
_reflns_number_total             4007
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt01168f2.cif
_cod_data_source_block           exp_12712
_cod_depositor_comments          'Adding full bibliography for 7716307.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7716307
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.139
_shelx_estimated_absorpt_t_max   0.163
_shelx_res_checksum              23714
_shelx_hkl_checksum              10730