Enclosure of a Keggin-type heteropolyoxometalate into a tubular π-space via hydrogen bonds with a nonplanar Mo(v)-porphyrin complex forming a supramolecular assembly.
Yokoyama, Atsutoshi; Kojima, Takahiko; Fukuzumi, Shunichi; Dalton transactions (Cambridge, England : 2003) 40 (2011) 6445–6450; doi:10.1039/c0dt01708f

data_7015544
_publ_section_title
;
 Enclosure of a Keggin-type heteropolyoxometalate into a tubular
 \p-space via hydrogen bonds with a nonplanar Mo(v)-porphyrin complex
 forming a supramolecular assembly.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6445
_journal_page_last               6450
_journal_paper_doi               10.1039/c0dt01708f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C192 H142 Mo2 N8 O50 S W12'
_chemical_formula_weight         5791.28
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.431(2)
_cell_angle_beta                 111.262(2)
_cell_angle_gamma                116.401(2)
_cell_formula_units_Z            1
_cell_length_a                   16.185(2)
_cell_length_b                   17.072(2)
_cell_length_c                   20.604(3)
_cell_measurement_reflns_used    1019
_cell_measurement_temperature    120.(2)
_cell_measurement_theta_max      58.67
_cell_measurement_theta_min      5.46
_cell_volume                     4632.5(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120.(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0220
_diffrn_reflns_av_sigmaI/netI    0.0442
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            22139
_diffrn_reflns_theta_full        25.12
_diffrn_reflns_theta_max         25.12
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    7.637
_exptl_absorpt_correction_T_max  0.5155
_exptl_absorpt_correction_T_min  0.3104
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.076
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2738
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         5.446
_refine_diff_density_min         -2.241
_refine_diff_density_rms         0.188
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1222
_refine_ls_number_reflns         16151
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0362P)^2^+50.9737P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0915
_refine_ls_wR_factor_ref         0.1058
_reflns_number_gt                12767
_reflns_number_total             16151
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01708f.txt
_cod_data_source_block           100611yoko0m
_cod_original_cell_volume        4632.6(10)
_cod_database_code               7015544