Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide
Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her; Polymer Chemistry 5 (2014) 4875–; doi:10.1039/C4PY00528G

data_1516591
_publ_section_title
;
 Bimetallic nickel and cobalt complexes as high-performance catalysts for
 copolymerization of carbon dioxide with cyclohexene oxide
;
_journal_issue                   17
_journal_name_full               'Polymer Chemistry'
_journal_page_first              4875
_journal_paper_doi               10.1039/C4PY00528G
_journal_volume                  5
_journal_year                    2014
_chemical_formula_moiety         'C49 H60 N8 O6 Zn2, C H2 Cl2'
_chemical_formula_sum            'C50 H62 Cl2 N8 O6 Zn2'
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_chemical_name_systematic
; 
 ? 
;
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_computing_cell_refinement       'SAINT V7.68A (Bruker AXS, 2009)'
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_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            44579
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_exptl_absorpt_coefficient_mu    1.114
_exptl_absorpt_correction_T_max  0.8507
_exptl_absorpt_correction_T_min  0.6519
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1120
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_refine_diff_density_max         1.458
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_refine_ls_number_parameters     643
_refine_ls_number_reflns         12470
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_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0380
_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^)+(0.0496P)^2^+2.4424P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0956
_refine_ls_wR_factor_ref         0.1026
_reflns_number_gt                10078
_reflns_number_total             12470
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4py00528g6.cif
_cod_data_source_block           harry14_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 1516591--1516594.cif.
;
_cod_original_cell_volume        2520.35(6)
_cod_database_code               1516591