Dichlorocobalt(II) Complexes Ligated by Bidentate 8-(Benzoimidazol-2-yl)quinolines: Synthesis, Characterization, and Catalytic Behavior toward Ethylene
Xiao, Tianpengfei; Hao, Peng; Kehr, Gerald; Hao, Xiang; Erker, Gerhard; Sun, Wen-Hua; Organometallics 30 (2011) 4847–; doi:10.1021/om2003392

data_4064791
_publ_section_title
;
 Dichlorocobalt(II) Complexes Ligated by Bidentate
 8-(Benzoimidazol-2-yl)quinolines: Synthesis, Characterization, and
 Catalytic Behavior toward Ethylene
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4847
_journal_paper_doi               10.1021/om2003392
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C18 H15 Cl2 Co N3'
_chemical_formula_weight         403.16
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
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_symmetry_space_group_name_Hall  '-P 2yn'
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_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                 109.13(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.123(2)
_cell_length_b                   13.542(3)
_cell_length_c                   12.829(3)
_cell_measurement_reflns_used    5301
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.61
_cell_volume                     1661.6(7)
_computing_cell_refinement       'Siemens SMART & SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_max       17
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_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13241
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_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.61
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.358
_exptl_absorpt_correction_T_max  0.8242
_exptl_absorpt_correction_T_min  0.6715
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             820
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_refine_ls_R_factor_gt           0.0375
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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^)+(0.0483P)^2^+0.9900P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0961
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_reflns_number_gt                3663
_reflns_number_total             3804
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2003392_si_002.cif
_cod_data_source_block           C3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 'Numerical'
changed to 'numerical' 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 4064789--4064792.cif.

The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'constro' was replaced with the
value 'constr' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_cell_volume        1661.5(6)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4064791
_refine_ls_r_factor_ref          0.0394