Nitrogen-Doped Microporous Carbons Derived from Pyridine Ligand-Based Metal-Organic Complexes as High-Performance SO<sub>2</sub> Adsorption Sorbents.
Wang, Ani; Fan, Ruiqing; Pi, Xinxin; Zhou, Yuze; Chen, Guangyu; Chen, Wei; Yang, Yulin; ACS applied materials & interfaces 10 (2018) 37407–37416; doi:10.1021/acsami.8b12739

data_4515319
_publ_section_title
;
 Nitrogen-Doped Microporous Carbons Derived from Pyridine Ligand-Based
 Metal-Organic Complexes as High-Performance SO<sub>2</sub> Adsorption
 Sorbents.
;
_journal_issue                   43
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              37407
_journal_page_last               37416
_journal_paper_doi               10.1021/acsami.8b12739
_journal_volume                  10
_journal_year                    2018
_chemical_formula_sum            'C22 H0 N7 O7 Zn'
_chemical_formula_weight         539.68
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                103.732(5)
_cell_angle_beta                 91.115(5)
_cell_angle_gamma                93.432(5)
_cell_formula_units_Z            2
_cell_length_a                   9.483(4)
_cell_length_b                   10.421(5)
_cell_length_c                   12.108(5)
_cell_measurement_reflns_used    5433
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.674
_cell_measurement_theta_min      1.732
_cell_volume                     1159.6(9)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.910
_diffrn_measurement_device_type  'Bruker Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0634
_diffrn_reflns_av_unetI/netI     0.1237
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.910
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9579
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.910
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.674
_diffrn_reflns_theta_min         1.732
_exptl_absorpt_coefficient_mu    1.117
_exptl_absorpt_correction_T_max  0.896
_exptl_absorpt_correction_T_min  0.799
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_description       block
_exptl_crystal_F_000             534
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_transmission_factor_max   0.894
_exptl_transmission_factor_min   0.851
_refine_diff_density_max         0.811
_refine_diff_density_min         -0.374
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         4943
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.1648
_refine_ls_R_factor_gt           0.0811
_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          0.1603
_refine_ls_wR_factor_ref         0.1999
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2631
_reflns_number_total             4943
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am8b12739_si_002.cif
_cod_data_source_block           MOC-1
_cod_database_code               4515319
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.799
_shelx_estimated_absorpt_t_max   0.896
_shelx_res_checksum              57312
_shelx_hkl_checksum              35684