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_7026444
_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 H40 Cu3 N12 O24 Te W6, 6(O)'
_chemical_formula_sum            'C6 H20 Cu1.5 N6 O15 Te0.5 W3'
_chemical_formula_weight         1126.94
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                67.370(4)
_cell_angle_beta                 85.640(3)
_cell_angle_gamma                72.680(4)
_cell_formula_units_Z            2
_cell_length_a                   8.5690(12)
_cell_length_b                   11.5330(15)
_cell_length_c                   13.1650(15)
_cell_measurement_temperature    293(2)
_cell_volume                     1145.3(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.902
_diffrn_measured_fraction_theta_max 0.902
_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  0.0290
_diffrn_reflns_av_sigmaI/netI    0.0377
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15207
_diffrn_reflns_theta_full        32.19
_diffrn_reflns_theta_max         32.19
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    17.084
_exptl_crystal_density_diffrn    3.268
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1019
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         7.116
_refine_diff_density_min         -17.129
_refine_diff_density_rms         0.808
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         7294
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0544
_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^)+(0.1070P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1419
_refine_ls_wR_factor_ref         0.1446
_reflns_number_gt                6031
_reflns_number_total             7294
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00426j.txt
_cod_data_source_block           gkl017a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_formula_sum        'C6 H20 Cu1.50 N6 O15 Te0.50 W3'
_cod_database_code               7026444