Synthesis and structural characterisation of novel linked bis(beta-diketiminato) rare earth metal complexes.
Vitanova, Daniela V.; Hampel, Frank; Hultzsch, Kai C.; Dalton transactions (Cambridge, England : 2003)  (2005) 1565–1566; doi:10.1039/b501930c

data_7008353
_publ_section_title
;
 Synthesis and structural characterisation of novel linked
 bis(beta-diketiminato) rare earth metal complexes.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1565
_journal_page_last               1566
_journal_paper_doi               10.1039/b501930c
_journal_year                    2005
_chemical_formula_sum            'C45 H77 La N5 Si2'
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_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_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 102.60(3)
_cell_angle_gamma                99.47(3)
_cell_formula_units_Z            4
_cell_length_a                   11.816(2)
_cell_length_b                   19.038(4)
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_cell_measurement_temperature    173(2)
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_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL NT'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.995
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_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_min       -15
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_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
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_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.09
_exptl_absorpt_coefficient_mu    0.968
_exptl_absorpt_correction_T_max  0.7600
_exptl_absorpt_correction_T_min  0.7600
_exptl_absorpt_correction_type   'empirical (Scalepack)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.215
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1868
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_refine_ls_shift/su_mean         0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0703P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1174
_reflns_number_gt                16104
_reflns_number_total             22127
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b501930c.txt
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_cod_depositor_comments
;
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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4827.7(17)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7008353