An Oxygen-Centred Tetranuclear Tantalum Cluster: Ta~4~O(Te~2~)~4~TeI~4~
Huang, Da-Ping; Huang, Chang-Cang; Liu, Shi-Xiong; Xu, Huai-Da; Huang, Jin-Ling; Acta Crystallographica Section C 54 (1998) 893–895; doi:10.1107/S0108270197018593

data_2007468
_publ_section_title
;
 An Oxygen-Centred Tetranuclear Tantalum Cluster:
 Ta~4~O(Te~2~)~4~TeI~4~
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              893
_journal_page_last               895
_journal_paper_doi               10.1107/S0108270197018593
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'Ta4 O (Te2 )4 Te I4'
_chemical_formula_sum            'I4 O Ta4 Te9'
_chemical_formula_weight         2395.80
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 122.08(9)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   21.97(4)
_cell_length_b                   6.155(3)
_cell_length_c                   19.98(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      20
_cell_measurement_theta_min      12
_cell_volume                     2289(7)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.060
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            8832
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_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    35.458
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_exptl_absorpt_correction_T_min  0.227
_exptl_absorpt_correction_type   refdelf
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_exptl_crystal_description       needle
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_refine_diff_density_min         -3.69
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_refine_ls_number_parameters     84
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_refine_ls_R_factor_obs          .0330
_refine_ls_shift/esd_max         0.15
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .0430
_reflns_number_observed          2817
_reflns_number_total             4674
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            oh1092.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' w=1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w=1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2289(2)
_cod_original_sg_symbol_H-M      'C 2/c'
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