The key role of -CH3 steric hindrance in bis(pyrazolyl) ligand on polyoxometalate-based compounds.
Tian, Ai-Xiang; Yang, Yang; Ying, Jun; Li, Na; Lin, Xiao-Ling; Zhang, Ju-Wen; Wang, Xiu-Li; Dalton transactions (Cambridge, England : 2003) 43 (2014) 8405–8413; doi:10.1039/c4dt00107a

data_7029891
_publ_section_title
;
 The key role of -CH3 steric hindrance in bis(pyrazolyl) ligand on
 polyoxometalate-based compounds.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8405
_journal_page_last               8413
_journal_paper_doi               10.1039/c4dt00107a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C66 H101 Ag6 N24 O40 P W12'
_chemical_formula_weight         4755
_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                72.529(2)
_cell_angle_beta                 72.936(2)
_cell_angle_gamma                61.456(2)
_cell_formula_units_Z            1
_cell_length_a                   14.1484(14)
_cell_length_b                   14.2546(15)
_cell_length_c                   16.6307(16)
_cell_measurement_reflns_used    14213
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.66
_cell_volume                     2765.1(5)
_computing_data_collection       'Bruker XSCANS'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker P4'
_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  0.0348
_diffrn_reflns_av_sigmaI/netI    0.0834
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14213
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.66
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    13.553
_exptl_absorpt_correction_T_max  0.087
_exptl_absorpt_correction_T_min  0.048
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8  March, 1995'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.852
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2165
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.555
_refine_diff_density_min         -3.824
_refine_diff_density_rms         0.364
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     691
_refine_ls_number_reflns         9668
_refine_ls_number_restraints     142
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.1145
_refine_ls_R_factor_gt           0.0802
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0341P)^2^+227.7129P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1669
_refine_ls_wR_factor_ref         0.1800
_reflns_number_gt                6853
_reflns_number_total             9733
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00107a2.cif
_cod_data_source_block           compound-3
_cod_depositor_comments
'Adding full bibliography for 7029889--7029892.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7029891