Robust 1D open rack-like architecture in coordination polymers of Anderson POMs [{Na4(H2O)14}{Cu(gly)}2][TeMo6O24] and [{Cu(en)2}3{TeW6O24}]: synthesis, characterization and heterogeneous catalytic epoxidation of olefines.
Dutta, Daipayan; Jana, Atish D.; Debnath, Mainak; Bhaumik, Asim; Marek, Jaromir; Ali, Mahammad; Dalton transactions (Cambridge, England : 2003) 39 (2010) 11551–11559; doi:10.1039/c0dt00426j

data_7026445
_publ_section_title
;
 Robust 1D open rack-like architecture in coordination polymers of
 Anderson POMs [{Na4(H2O)14}{Cu(gly)}2][TeMo6O24] and
 [{Cu(en)2}3{TeW6O24}]: synthesis, characterization and heterogeneous
 catalytic epoxidation of olefines.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11551
_journal_page_last               11559
_journal_paper_doi               10.1039/c0dt00426j
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C12 H48 Cu3 N12 O24 Te W6, 6(H2 O) '
_chemical_formula_sum            'C12 H60 Cu3 N12 O30 Te W6'
_chemical_formula_weight         2274.04
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                67.382(4)
_cell_angle_beta                 85.597(3)
_cell_angle_gamma                72.689(3)
_cell_formula_units_Z            1
_cell_length_a                   8.5534(3)
_cell_length_b                   11.5294(4)
_cell_length_c                   13.1841(5)
_cell_measurement_reflns_used    6854
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.0786
_cell_measurement_theta_min      2.9437
_cell_volume                     1144.75(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3611
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0192
_diffrn_reflns_av_sigmaI/netI    0.0134
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5959
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    16.932
_exptl_absorpt_correction_T_max  0.067
_exptl_absorpt_correction_T_min  0.016
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    3.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1039
_exptl_crystal_size_max          0.4442
_exptl_crystal_size_mid          0.3394
_exptl_crystal_size_min          0.3022
_refine_diff_density_max         1.123
_refine_diff_density_min         -2.200
_refine_diff_density_rms         0.270
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.264
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         4013
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.262
_refine_ls_R_factor_all          0.0294
_refine_ls_R_factor_gt           0.0289
_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^)+(0.0350P)^2^+15.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0784
_refine_ls_wR_factor_ref         0.0786
_reflns_number_gt                3947
_reflns_number_total             4013
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00426j.txt
_cod_data_source_block           IN_10_01d
_cod_original_cell_volume        1144.75(7)
_cod_database_code               7026445