The first two-fold interpenetrating polyoxometalate-based coordination polymer with helical channels: structure and catalytic activities
Sha, Jing-Quan; Sun, Long-Jiang; Zhu, Pei-Pei; Jiang, Jianzhuang; CrystEngComm 18 (2016) 283–; doi:10.1039/C5CE02021B

data_7223326
_publ_section_title
;
 The first two-fold interpenetrating polyoxometalate-based coordination
 polymer with helical channels: structure and catalytic activities
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              283
_journal_paper_doi               10.1039/C5CE02021B
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C18 H12 Ag4 Mo12 N14 Na O40 P'
_chemical_formula_sum            'C18 H12 Ag4 Mo12 N14 Na O40 P'
_chemical_formula_weight         2701.17
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-11-10 deposited with the CCDC.
2015-11-23 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 129.598(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.442(5)
_cell_length_b                   22.524(5)
_cell_length_c                   21.414(5)
_cell_measurement_temperature    293(2)
_cell_volume                     5367(3)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16979
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.26
_exptl_absorpt_coefficient_mu    4.275
_exptl_absorpt_correction_T_max  0.574
_exptl_absorpt_correction_T_min  0.354
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs(Sheldrick,1996)
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5016
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.13
_refine_diff_density_max         3.363
_refine_diff_density_min         -2.805
_refine_diff_density_rms         0.216
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     856
_refine_ls_number_reflns         9421
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0559P)^2^+95.2255P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1340
_refine_ls_wR_factor_ref         0.1444
_reflns_number_gt                7647
_reflns_number_total             9456
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce02021b2.cif
_cod_data_source_block           sha
_cod_depositor_comments          'Adding full bibliography for 7223326.cif.'
_cod_original_sg_symbol_Hall     '  -P 2ybc '
_cod_original_sg_symbol_H-M      '  P 21/c '
_cod_database_code               7223326