New ionic cobalt(iii) complexes based on the N,N-bis(2-pyrazinecarboxamide)-1,2-benzene ligand: application to the formation of organic carbonates from epoxides and CO2
Adolph, Michael; Zevaco, Thomas A.; Altesleben, Christiane; Staudt, Simone; Walter, Olaf; Dinjus, Eckhard; New J. Chem. 39 (2015) 9858–; doi:10.1039/C5NJ02135A

data_7055142
_publ_section_title
;
 New ionic cobalt(iii) complexes based on the
 N,N-bis(2-pyrazinecarboxamide)-1,2-benzene ligand: application to the
 formation of organic carbonates from epoxides and CO2
;
_journal_issue                   12
_journal_name_full               'New J. Chem.'
_journal_page_first              9858
_journal_paper_doi               10.1039/C5NJ02135A
_journal_volume                  39
_journal_year                    2015
_chemical_formula_sum            'C24 H32 Cl2 Co N7 O3'
_chemical_formula_weight         596.39
_chemical_name_systematic
;
 ?
;
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-12-15 deposited with the CCDC.
2015-10-12 downloaded from the CCDC.
;
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_computing_molecular_graphics
'XPMA (Zsolnai, 1996), ORTEP (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.923
_diffrn_measurement_device_type  'Bruker Apex II Quazar'
_diffrn_measurement_method       'combined omega- and phi-scan'
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_k_min       -15
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_refine_ls_number_reflns         6070
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_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0293
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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;
 w=1/[\s^2^(Fo^2^)+(0.0276P)^2^+0.9233P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0645
_refine_ls_wR_factor_ref         0.0692
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_reflns_number_gt                5036
_reflns_number_total             6070
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5nj02135a1.cif
_cod_data_source_block           mait15
_cod_depositor_comments
'Adding full bibliography for 7055142--7055143.cif.'
_cod_database_code               7055142
_shelx_estimated_absorpt_t_min   0.886
_shelx_estimated_absorpt_t_max   0.975
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_shelx_res_checksum              40353