Two new compounds constructed from polyoxoanions, metal ions and organic ligands
Shu-Yun Shi; Zhan-Lin Xu; Hong-Hui Teng; Ling-Zi Zhao; Xiao-Bing Cui; Ji-Qing Xu; Inorganica Chimica Acta 402 (2013) 123–127; doi:

data_1517130
_publ_section_title
;
 Two new compounds constructed from polyoxoanions, metal ions and organic
 ligands
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              123
_journal_page_last               127
_journal_volume                  402
_journal_year                    2013
_chemical_formula_sum            'C30 H26 Cu2 Mo12 N6 O40 Si'
_chemical_formula_weight         2417.02
_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
_cell_angle_alpha                105.386(6)
_cell_angle_beta                 102.406(5)
_cell_angle_gamma                115.660(4)
_cell_formula_units_Z            1
_cell_length_a                   10.8645(9)
_cell_length_b                   11.8169(12)
_cell_length_c                   13.3176(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1374.8(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0667
_diffrn_reflns_av_sigmaI/netI    0.0603
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10084
_diffrn_reflns_theta_full        28.38
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    3.524
_exptl_absorpt_correction_T_max  0.5249
_exptl_absorpt_correction_T_min  0.3893
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    2.919
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         6.915
_refine_diff_density_min         -1.950
_refine_diff_density_rms         0.261
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         6796
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0866
_refine_ls_R_factor_gt           0.0691
_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^)+(0.0726P)^2^+19.6419P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1749
_refine_ls_wR_factor_ref         0.1881
_reflns_number_gt                5398
_reflns_number_total             6796
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-402-123-127-2.cif
_cod_data_source_block           hh
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               1517130