From 1D to 3D Single-Crystal-to-Single-Crystal Structural Transformations Based on Linear Polyanion [Mn4(H2O)18WZnMn2(H2O)2(ZnW9O34)2]4-
Lian-Xu Shi; Wen-Feng Zhao; Xuan Xu; Jing Tang; Chuan-De Wu; Inorganic Chemistry 50 (2011) 12387–12389; doi:10.1021/ic2020572

data_4327187
_publ_section_title
;
 From 1D to 3D Single-Crystal-to-Single-Crystal Structural Transformations
 Based on Linear Polyanion [Mn4(H2O)18WZnMn2(H2O)2(ZnW9O34)2]4-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12387
_journal_page_last               12389
_journal_paper_doi               10.1021/ic2020572
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'H88 Mn6 O110 W19 Zn3'
_chemical_formula_weight         5867.60
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                82.597(2)
_cell_angle_beta                 73.703(3)
_cell_angle_gamma                63.213(3)
_cell_formula_units_Z            1
_cell_length_a                   12.6138(4)
_cell_length_b                   13.9393(4)
_cell_length_c                   16.8356(5)
_cell_measurement_reflns_used    19130
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      3.37
_cell_volume                     2536.32(15)
_computing_cell_refinement       'CrysAlisPro (Oxford Diffraction Ltd., 2010)'
_computing_data_collection       'CrysAlisPro (Oxford Diffraction Ltd., 2010)'
_computing_data_reduction        'CrysAlisPro (Oxford Diffraction Ltd., 2010)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.3592
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_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  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0592
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19130
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.37
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    22.975
_exptl_absorpt_correction_T_max  0.126
_exptl_absorpt_correction_T_min  0.063
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   CrysAlisPro
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_diffrn    3.842
_exptl_crystal_description       bloc
_exptl_crystal_F_000             2614
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         5.134
_refine_diff_density_min         -2.788
_refine_diff_density_rms         0.650
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.338
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         10342
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.338
_refine_ls_R_factor_all          0.1009
_refine_ls_R_factor_gt           0.0896
_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^)+(0.0811P)^2^+69.3136P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2254
_refine_ls_wR_factor_ref         0.2328
_reflns_number_gt                8491
_reflns_number_total             10342
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2020572_si_002_1.cif
_cod_data_source_block           New1
_cod_original_cell_volume        2536.32(13)
_cod_database_code               4327187