Syntheses of 2,4-Disubstituted 1,3,5-Triazapentadienyl Ligands Having Two Guanidinato Moieties and Their Use in the Isolation of Copper(I) Complexes
Meisu Zhou; Peng Li; Hongbo Tong; Yanping Song; Tao Gong; Jianping Guo; Linhong Weng; Diansheng Liu; Inorganic Chemistry 47 (2008) 1886–1888; doi:10.1021/ic702322n

data_4304748
_publ_section_title
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Syntheses of 2,4-Disubstituted 1,3,5-Triazapentadienyl Ligands Having Two
Guanidinato Moieties and Their Use in the Isolation of Copper(I) Complexes
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1886
_journal_page_last               1888
_journal_paper_doi               10.1021/ic702322n
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C36 H76 Li2 N10 Si4'
_chemical_formula_weight         775.31
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                95.286(4)
_cell_angle_beta                 96.090(3)
_cell_angle_gamma                119.674(2)
_cell_formula_units_Z            2
_cell_length_a                   11.568(2)
_cell_length_b                   11.673(3)
_cell_length_c                   20.572(4)
_cell_measurement_reflns_used    3599
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      27.593
_cell_measurement_theta_min      2.256
_cell_volume                     2366.1(9)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1999)'
_computing_publication_material  'SHELXTL/PC (Sheldrick, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD AREA DETECTOR'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       13
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_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11636
_diffrn_reflns_theta_full        25.01
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_diffrn_reflns_theta_min         2.02
_diffrn_standards_decay_%        3.74
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.161
_exptl_absorpt_correction_T_max  0.9534
_exptl_absorpt_correction_T_min  0.7354
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.088
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         8176
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      1.155
_refine_ls_R_factor_all          0.0980
_refine_ls_R_factor_gt           0.0773
_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^)+(0.0598P)^2^+1.0579P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1599
_refine_ls_wR_factor_ref         0.1695
_reflns_number_gt                6337
_reflns_number_total             8176
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702322n-file003_1.cif
_cod_data_source_block           2
_cod_depositor_comments
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The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' 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 
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_cod_original_cell_volume        2366.2(9)
_cod_database_code               4304748