Methylated molybdoplatinate‒its unexpected ability to absorb methanol.
Ikegami, Shusaku; Kani, Kentaro; Ozeki, Tomoji; Yagasaki, Atsushi; Chemical communications (Cambridge, England) 46 (2010) 785–787; doi:10.1039/b915360h

data_7105180
_publ_section_title
;
 Methylated molybdoplatinate--its unexpected ability to absorb
 methanol.
;
_journal_issue                   5
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              785
_journal_page_last               787
_journal_paper_doi               10.1039/b915360h
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety
'(C16 H36 N +)7, (H4.5 Pt Mo6 O24 3.5-)2, 8(H2 O)'
_chemical_formula_sum            'C112 H277 Mo12 N7 O56 Pt2'
_chemical_formula_weight         4159.87
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.4270(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   33.0985(4)
_cell_length_b                   18.0174(2)
_cell_length_c                   29.4596(3)
_cell_measurement_temperature    123(2)
_cell_volume                     17220.0(3)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection       CrystalClear
_computing_data_reduction        'HKL2000 (Otwinowski & Minor, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku MERCURY CCD'
_diffrn_measurement_method       'oscillation method, \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku UltraX-18 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0459
_diffrn_reflns_av_sigmaI/netI    0.0725
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            156048
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         29.10
_diffrn_reflns_theta_min         1.29
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.532
_exptl_absorpt_correction_T_max  0.6536
_exptl_absorpt_correction_T_min  0.6276
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             8424
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.09
_refine_diff_density_max         3.184
_refine_diff_density_min         -1.552
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1814
_refine_ls_number_reflns         45605
_refine_ls_number_restraints     6647
_refine_ls_restrained_S_all      1.182
_refine_ls_R_factor_all          0.1017
_refine_ls_R_factor_gt           0.0660
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1039P)^2^+22.9056P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2135
_refine_ls_wR_factor_ref         0.2240
_reflns_number_gt                27444
_reflns_number_total             45605
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            b915360h.txt
_cod_data_source_block           TBA7_[H9(PtMo6O24)2]_8H2O
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7105180