Synthesis and complexation of the mixed tellurium?oxygen macrocycles 1-tellura-4,7-dioxacyclononane, [9]aneO2Te, and 1,10-ditellura-4,7,13,16-tetraoxacyclooctadecane, [18]aneO4Te2 and their selenium analogues
Hesford, Matthew J.; Levason, William; Matthews, Melissa L.; Reid, Gillian; Dalton Transactions  (2003) 2852–; doi:10.1039/b303365c

data_7012993
_publ_section_title
;
 Synthesis and complexation of the mixed tellurium?oxygen macrocycles
 1-tellura-4,7-dioxacyclononane, [9]aneO2Te, and
 1,10-ditellura-4,7,13,16-tetraoxacyclooctadecane, [18]aneO4Te2 and
 their selenium analogues
;
_journal_issue                   14
_journal_name_full               'Dalton Transactions'
_journal_page_first              2852
_journal_paper_doi               10.1039/b303365c
_journal_year                    2003
_chemical_compound_source        CH2Cl2
_chemical_formula_moiety         'C12 H24 Cl2 O4 Pd Te2 '
_chemical_formula_structural     '[PdCl2([18]aneTe2O4)]'
_chemical_formula_sum            'C12 H24 Cl2 O4 Pd Te2'
_chemical_formula_weight         664.83
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2003-03-12
_audit_creation_method           'by teXsan for Windows v1.06'
_cell_angle_alpha                90
_cell_angle_beta                 96.8439(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.5109(3)
_cell_length_b                   15.9002(5)
_cell_length_c                   10.9837(3)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    120.0(1)
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     1822.58(9)
_computing_cell_refinement       'Nonius Kappa CCD Diffractometer Control'
_computing_data_collection       'Nonius Kappa CCD Diffractometer Control'
_computing_data_reduction
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_publication_material
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_structure_refinement
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_structure_solution
;
DIRDIF92 PATTY (Beurskens, 1992)
;
_diffrn_ambient_temperature      120.0(1)
_diffrn_measurement_device       'Nonius Kappa CCD'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
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_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.02219
_diffrn_reflns_av_sigmaI/netI    0.071
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7470
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.13
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.460
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.423
_exptl_crystal_density_meas      ?
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_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.33
_refine_diff_density_min         -2.47
_refine_ls_abs_structure_details -
_refine_ls_abs_structure_Flack   -
_refine_ls_extinction_coef       -
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.647
_refine_ls_goodness_of_fit_ref   1.650
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
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_refine_ls_number_parameters     190
_refine_ls_number_reflns         3811
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo)]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0470
_refine_ls_wR_factor_ref         0.0470
_reflns_number_gt                3811
_reflns_number_total             4281
_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            b303365c.txt
_cod_data_source_block           03mlm030[PdCl2([18]aneTe2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'multiscan' changed to 'multi-scan'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1822.58(8)
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_original_formula_sum        'C12 H24 Cl2 O4 Pd Te2 '
_cod_database_code               7012993