Bridging the opposite chemistries of tantalum and tungsten polyoxometalates.
Molina, P. I.; Sures, D. J.; Miró, P; Zakharov, L. N.; Nyman, M.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 15813–15822; doi:10.1039/c5dt02290h

data_7036154
_publ_section_title
;
 Bridging the opposite chemistries of tantalum and tungsten
 polyoxometalates.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15813
_journal_page_last               15822
_journal_paper_doi               10.1039/c5dt02290h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'Cs5 H15 Nb O39.5 W9'
_chemical_formula_weight         3051.67
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-04-24 deposited with the CCDC.
2015-08-05 downloaded from the CCDC.
;
_cell_angle_alpha                99.160(2)
_cell_angle_beta                 100.815(2)
_cell_angle_gamma                115.949(2)
_cell_formula_units_Z            1
_cell_length_a                   9.8464(4)
_cell_length_b                   10.2634(4)
_cell_length_c                   11.5535(4)
_cell_measurement_reflns_used    4817
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      34.70
_cell_measurement_theta_min      2.29
_cell_volume                     991.98(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0625
_diffrn_reflns_av_unetI/netI     0.0643
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17629
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.997
_diffrn_reflns_theta_min         1.865
_diffrn_source                   'sealed tube with triumph'
_exptl_absorpt_coefficient_mu    30.880
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_correction_T_min  0.4638
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    5.108
_exptl_crystal_description       block
_exptl_crystal_F_000             1306
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.090
_refine_diff_density_max         1.838
_refine_diff_density_min         -1.809
_refine_diff_density_rms         0.414
_refine_ls_extinction_coef       0.00181(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         4770
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0365
_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^)+(0.0169P)^2^+9.8107P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0760
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3695
_reflns_number_total             4770
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt02290h2.cif
_cod_data_source_block           mo_mayr124_0m
_cod_depositor_comments
'Adding full bibliography for 7036154--7036157.cif.'
_cod_original_formula_sum        'H15 Cs5 Nb O39.50 W9'
_cod_database_code               7036154
_shelx_estimated_absorpt_t_min   0.098
_shelx_estimated_absorpt_t_max   0.168
_shelxl_version_number           2013-4
_shelx_res_checksum              95969