Reactivity of Organometallic Tantalum Complexes Containing a Bis(phenoxy)amide (ONO)3‒Ligand with Aryl Azides and 1,2-Diphenylhydrazine
Zarkesh, Ryan A.; Heyduk, Alan F.; Organometallics 30 (2011) 4890–; doi:10.1021/om2004332

data_4064935
_publ_section_title
;
 Reactivity of Organometallic Tantalum Complexes Containing a
 Bis(phenoxy)amide (ONO)3--Ligand with Aryl Azides and
 1,2-Diphenylhydrazine
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4890
_journal_paper_doi               10.1021/om2004332
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C30 H46 N O2 Ta'
_chemical_formula_weight         633.63
_chemical_name_systematic
;
 ?
;
_space_group.centring_type       P
_space_group_IT_number           62
_space_group.IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.752(3)
_cell_length_b                   26.728(8)
_cell_length_c                   9.396(3)
_cell_measurement_reflns_used    7520
_cell_measurement_temperature    208(2)
_cell_measurement_theta_max      27.61
_cell_measurement_theta_min      2.30
_cell_volume                     2951.4(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    ORTEP-32
_computing_publication_material  WinGX
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      208(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0437
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_diffrn_reflns_number            17455
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_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    3.748
_exptl_absorpt_correction_T_max  0.8347
_exptl_absorpt_correction_T_min  0.7056
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_diff_density_max         1.557
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0378P)^2^+0.5688P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3079
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2004332_si_001.cif
_cod_data_source_block           heyduk10
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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_values 1715 2011-07-08 13:25:40Z adriana 

 Adding full bibliography for 4064935--4064936.cif.

The following automatic conversions were performed:

'_space_group.centring_type' value 'primitive' was replaced with the
value 'P' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5642 2017-10-24 12:04:52Z antanas 
;
_cod_original_cell_volume        2951.5(15)
_cod_original_sg_symbol_H-M      Pnma
_cod_database_code               4064935