Highly active chromium(iii) complexes based on tridentate pyrazolyl pyridyl ligands for ethylene polymerization and oligomerization.
Park, Jong-Eun; Kang, Sung Kwon; Woo, Jeong Oh; Son, Kyung-Sun; Dalton transactions (Cambridge, England : 2003) 44 (2015) 9964–9969; doi:10.1039/c5dt00855g

data_7035039
_publ_section_title
;
 Highly active chromium(iii) complexes based on tridentate pyrazolyl
 pyridyl ligands for ethylene polymerization and oligomerization.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9964
_journal_page_last               9969
_journal_paper_doi               10.1039/c5dt00855g
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C17 H14 Cl3 Cr N6, 2(C3 H7 N O)'
_chemical_formula_sum            'C23 H28 Cl3 Cr N8 O2'
_chemical_formula_weight         606.88
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-02-25 deposited with the CCDC.
2015-04-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.684(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   14.1673(15)
_cell_length_c                   16.8852(19)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.25
_cell_measurement_theta_min      2.44
_cell_volume                     2699.8(5)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
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_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1085
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_diffrn_reflns_laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21459
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_min         1.804
_diffrn_source                   'fine-focus sealed tube'
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5019
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.1238
_refine_ls_R_factor_gt           0.0712
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0907P)^2^+5.3017P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1725
_refine_ls_wR_factor_ref         0.2055
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3067
_reflns_number_total             5019
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7035038--7035039.cif.'
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