Synthesis and characterization of a novel ring-like decamolybdate
Liu, Guang; Zhang, Shi-Wei; Tang, You-Qi; Journal of the Chemical Society, Dalton Transactions  (2002) 2036–; doi:10.1039/b108997h

data_7011199
_publ_section_title
;
 Synthesis and characterization of a novel ring-like decamolybdate
;
_journal_issue                   9
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2036
_journal_paper_doi               10.1039/b108997h
_journal_year                    2002
_chemical_formula_moiety         'C8 H72 Mo10 O66 Y2'
_chemical_formula_sum            'C8 H72 Mo10 O66 Y2'
_chemical_formula_weight         2361.88
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 114.79(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.950(2)
_cell_length_b                   22.531(5)
_cell_length_c                   13.043(3)
_cell_measurement_reflns_used    17901
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.2
_cell_volume                     2921.4(13)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_publication_material
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173.2
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device       'Rigaku RAXIS-RAPID'
_diffrn_orient_matrix_UB_11      -0.04355
_diffrn_orient_matrix_UB_12      0.03464
_diffrn_orient_matrix_UB_13      -0.05391
_diffrn_orient_matrix_UB_21      0.00297
_diffrn_orient_matrix_UB_22      -0.01738
_diffrn_orient_matrix_UB_23      -0.08249
_diffrn_orient_matrix_UB_31      -0.07229
_diffrn_orient_matrix_UB_32      -0.02163
_diffrn_orient_matrix_UB_33      -0.02019
_diffrn_radiation_detector       'Imaging Plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0610
_diffrn_reflns_av_sigmaI/netI    0.1183
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12088
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         0.90
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.168
_exptl_absorpt_correction_T_max  1.258
_exptl_absorpt_correction_T_min  0.845
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.685
_exptl_crystal_density_meas      ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2292
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.756
_refine_diff_density_min         -1.221
_refine_diff_density_rms         0.313
_refine_ls_extinction_coef       0.00006(12)
_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   0.956
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     388
_refine_ls_number_reflns         6587
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.956
_refine_ls_R_factor_all          0.1031
_refine_ls_R_factor_gt           0.0607
_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^)+(0.0809P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1377
_refine_ls_wR_factor_ref         0.1511
_reflns_number_gt                4254
_reflns_number_total             6587
_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            b108997h.txt
_cod_data_source_block           Mo10Y2-2_
_cod_original_cell_volume        2921.4(11)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7011199