Unconventional DNA-relevant π-stacked hydrogen bonded arrays involving supramolecular guest benzoate dimers and cooperative anion–π/π–π/π–anion contacts in coordination compounds of Co(ii) and Zn(ii) phenanthroline: experimental and theoretical studies
Bhattacharyya, Manjit K.; Saha, Utpal; Dutta, Debajit; Frontera, Antonio; Verma, Akalesh K.; Sharma, Pranay; Das, Amal; New Journal of Chemistry 44 (2020) 4504–4518; doi:10.1039/C9NJ05727G

data_7059317
_publ_section_title
;
 Unconventional DNA-relevant \p-stacked hydrogen bonded arrays involving
 supramolecular guest benzoate dimers and cooperative
 anion--\p/\p--\p/\p--anion contacts in coordination compounds of Co(ii)
 and Zn(ii) phenanthroline: experimental and theoretical studies
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4504
_journal_page_last               4518
_journal_paper_doi               10.1039/C9NJ05727G
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C19 H19 Co N2 O5, C7 H5 O2'
_chemical_formula_sum            'C26 H24 Co N2 O7'
_chemical_formula_weight         535.40
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2019-07-03 deposited with the CCDC.	2020-02-09 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_diffrn_ambient_temperature      293(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_exptl_crystal_colour            Red
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0612P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0978
_refine_ls_wR_factor_ref         0.1089
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2600
_reflns_number_total             3767
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj05727g2.cif
_cod_data_source_block           Co-phen-Bz
_cod_depositor_comments
;Adding full bibliography for 7059317--7059318.cif.

 Adding full bibliography for 7059317--7059318.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
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