Synthesis and catalytic properties of oxalic amidinato complexes
Chen, Chi-Tien; Rees, Leigh H.; Cowley, Andrew R.; Green, Malcolm L. H.; Journal of the Chemical Society, Dalton Transactions  (2001) 1761–; doi:10.1039/b010017j

data_7010499
_publ_section_title
;
 Synthesis and catalytic properties of oxalic amidinato complexes
;
_journal_issue                   11
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1761
_journal_paper_doi               10.1039/b010017j
_journal_year                    2001
_chemical_compound_source
;
?
;
_chemical_formula_moiety         'C26 H39 Cl3 N5 Ta'
_chemical_formula_sum            'C26 H39 Cl3 N5 Ta'
_chemical_formula_weight         708.94
_chemical_melting_point          ?
_chemical_name_systematic
;                                                                               
?                                                                               
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             00-22-06
_audit_creation_method           CRYSTALS_ver_12-03-99
_cell_angle_alpha                90
_cell_angle_beta                 96.282(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.2870(7)
_cell_length_b                   10.705(1)
_cell_length_c                   12.5560(11)
_cell_measurement_reflns_used    24613
_cell_measurement_temperature    150
_cell_measurement_theta_max      26.57
_cell_measurement_theta_min      0
_cell_volume                     1508.0(2)
_computing_cell_refinement
;                                                                               
DIP2000 software 'DENZO' (Otwinowski & Minor, 1996)                             
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_computing_data_collection
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DIP2000 software 'Xpress' (MAC Science, 1989)                                   
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_computing_data_reduction
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DIP2000 software 'DENZO' (Otwinowski & Minor, 1996)                             
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_computing_molecular_graphics
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CAMERON (Watkin, Prout & Pearce,  1996)                                        
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_computing_publication_material
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CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)                
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_computing_structure_refinement
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CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)                
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_computing_structure_solution    'SHELXS86 (Sheldrick, 1986)'
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type
;                                                                               
Enraf-nonius DIP2000                                                            
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_diffrn_measurement_method       \w
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_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    3.93
_exptl_absorpt_correction_T_max  0.67
_exptl_absorpt_correction_T_min  0.58
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
'refined from delta-F (Walker & Stuart , 1983)'
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;
Chebychev polynomial with 5 parameters, Carruthers & Watkin , 1979, 
1.25    -1.96    0.333    -.318    -.413    
;
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            b010017j.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic ' changed to 'monoclinic'
according to '/home/adriana/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 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_original_cell_volume        1508.0(5)
_cod_original_sg_symbol_H-M      'P 1 21 1 '
_cod_database_code               7010499