Biologically relevant and energetically significant cooperative ternary (π‒π)2/(π‒π)1/(π‒π)2 assemblies and fascinating discrete (H2O)21 clusters in isostructural 2,5-pyridine dicarboxylato Co(ii) and Zn(ii) phenanthroline compounds: antiproliferative evaluation and theoretical studies
Chetry, Sanjib; Sharma, Pranay; Frontera, Antonio; Saha, Utpal; Verma, Akalesh K.; Sarma, Bipul; Kalita, Paran Jyoti; Bhattacharyya, Manjit K.; New Journal of Chemistry 45 (2021) 3699–3715; doi:10.1039/D0NJ04338A

data_7060297
_publ_section_title
;
 Biologically relevant and energetically significant cooperative ternary
 (\p--\p)2/(\p--\p)1/(\p--\p)2 assemblies and fascinating discrete (H2O)21
 clusters in isostructural 2,5-pyridine dicarboxylato Co(ii) and Zn(ii)
 phenanthroline compounds: antiproliferative evaluation and theoretical
 studies
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3699
_journal_page_last               3715
_journal_paper_doi               10.1039/D0NJ04338A
_journal_volume                  45
_journal_year                    2021
_chemical_formula_moiety         C31H19N5O4Zn,9(H2O)
_chemical_formula_sum            'C31 H35 N5 O13 Zn'
_chemical_formula_weight         751.01
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2020-12-18 deposited with the CCDC.	2021-01-13 downloaded from the CCDC.
;
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_cell_angle_gamma                120
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.8969P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj04338a2.cif
_cod_data_source_block           bsznphenpdc
_cod_depositor_comments
'Adding full bibliography for 7060296--7060297.cif.'
_cod_original_cell_volume        15624.4(7)
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