Reactions of RTeCl3(R = 2-phenylazophenyl) with Diorganophosphinic Acids. Te‒C Bond Cleavage and Stabilization of the Te═O Motif in an Umbrella-Shaped Te5O11P2Multi-metallacyclic Framework
Metre, Ramesh K.; Kundu, Subrata; Sahoo, Dipankar; Chandrasekhar, Vadapalli; Organometallics 33 (2014) 2380–; doi:10.1021/om5000216

data_4083130
_publ_section_title
;
 Reactions of RTeCl3(R = 2-phenylazophenyl) with Diorganophosphinic Acids.
 Te--C Bond Cleavage and Stabilization of the Te&#x2550;O Motif in an
 Umbrella-Shaped Te5O11P2Multi-metallacyclic Framework
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2380
_journal_paper_doi               10.1021/om5000216
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C84 H92 N8 O11 P2 Te5'
_chemical_formula_weight         2089.60
_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_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                82.173(5)
_cell_angle_beta                 74.833(5)
_cell_angle_gamma                73.995(5)
_cell_formula_units_Z            2
_cell_length_a                   10.852(5)
_cell_length_b                   19.673(5)
_cell_length_c                   20.666(5)
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.19
_cell_measurement_theta_min      2.46
_cell_volume                     4084(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_sigmaI/netI    0.0847
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            29518
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    1.869
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5983
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.699
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2060.0
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.209
_refine_diff_density_min         -1.682
_refine_diff_density_rms         0.229
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     991
_refine_ls_number_reflns         15138
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.868
_refine_ls_R_factor_all          0.0933
_refine_ls_R_factor_gt           0.0592
_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^)+(0.0903P)^2^+0.1266P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1439
_refine_ls_wR_factor_ref         0.1618
_reflns_number_gt                10674
_reflns_number_total             15138
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5000216_si_001.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4083129--4083130.cif.
;
_cod_database_code               4083130