Fabrication of morphology-preserved microporous carbon from a zeolitic-like porous coordination polymer
Zhou, Bihang; Hua, Yinying; Cheng, Fujun; Duan, Jingui; Chen, Lingyun; Jin, Wanqin; Inorganic Chemistry Frontiers 4 (2017) 234–; doi:10.1039/C6QI00526H

data_4349635
_publ_section_title
;
 Fabrication of morphology-preserved microporous carbon from a
 zeolitic-like porous coordination polymer
;
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              234
_journal_paper_doi               10.1039/C6QI00526H
_journal_volume                  4
_journal_year                    2017
_chemical_formula_sum            'C27 H18 O11 Zn2'
_chemical_formula_weight         649.15
_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_block_doi                 10.5517/ccdc.csd.cc1mxngn
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-11-14 deposited with the CCDC.
2016-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.13(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.3800(15)
_cell_length_b                   28.290(6)
_cell_length_c                   22.470(5)
_cell_measurement_reflns_used    12007
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31.0697
_cell_measurement_theta_min      2.3332
_cell_volume                     4631.9(18)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  Molybdenum
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0780
_diffrn_reflns_av_unetI/netI     0.0842
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            29923
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.100
_diffrn_reflns_theta_min         1.707
_exptl_absorpt_coefficient_mu    1.071
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.931
_exptl_crystal_description       prism
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.337
_refine_diff_density_min         -0.676
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         8233
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0946
_refine_ls_R_factor_gt           0.0719
_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^)+(0.1298P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2117
_refine_ls_wR_factor_ref         0.2264
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5418
_reflns_number_total             8233
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6qi00526h2.cif
_cod_data_source_block           as
_cod_original_cell_volume        4631.9(17)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4349635
_shelx_estimated_absorpt_t_min   0.856
_shelx_estimated_absorpt_t_max   0.948
_platon_squeeze_void_probe_radius 1.20
_shelxl_version_number           2013-2
_shelx_res_checksum              62998
_shelx_hkl_checksum              9911