Volatility Enhancement in Calcium, Strontium, and Barium Complexes Containing β-Diketiminate Ligands with Dimethylamino Groups on the Ligand Core Nitrogen Atoms
Sedai, Baburam; Heeg, Mary Jane; Winter, Charles H.; Organometallics 28 (2009) 1032–; doi:10.1021/om8006739

data_4068301
_publ_section_title
;
 Volatility Enhancement in Calcium, Strontium, and Barium Complexes
 Containing \b-Diketiminate Ligands with Dimethylamino Groups on the
 Ligand Core Nitrogen Atoms
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              1032
_journal_paper_doi               10.1021/om8006739
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C36 H76 N16 Sr2'
_chemical_formula_weight         908.37
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 95.272(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.4146(5)
_cell_length_b                   14.0852(7)
_cell_length_c                   17.6111(9)
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      34.2
_cell_measurement_theta_min      2.3
_cell_volume                     2325.5(2)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker APEX2'
_computing_molecular_graphics    SHELXTL-Plus
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.880
_diffrn_measurement_method       'Bruker APEX2'
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_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
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_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         35.16
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    2.337
_exptl_absorpt_correction_T_max  0.6784
_exptl_absorpt_correction_T_min  0.3878
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.31
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0318P)^2^+0.2369P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0590
_refine_ls_wR_factor_ref         0.0615
_reflns_number_gt                7637
_reflns_number_total             9124
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om8006739_si_002.cif
_cod_data_source_block           gabu
_cod_depositor_comments
;
The following automatic conversions were performed:

'_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4068301