Supramolecular and theoretical perspectives of 2,2′:6′,2′′-terpyridine based Ni(ii) and Cu(ii) complexes: on the importance of C‒H⋯Cl and π⋯π interactions
Pal, Pampi; Das, Kinsuk; Hossain, Anowar; Frontera, Antonio; Mukhopadhyay, Subrata; New Journal of Chemistry 44 (2020) 7310–7318; doi:10.1039/D0NJ00094A

data_7059444
_publ_section_title
;
 Supramolecular and theoretical perspectives of
 2,2&#x2032;:6&#x2032;,2&#x2032;&#x2032;-terpyridine based Ni(ii) and
 Cu(ii) complexes: on the importance of C--H&#x22EF;Cl and \p&#x22EF;\p
 interactions
;
_journal_issue                   18
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7310
_journal_page_last               7318
_journal_paper_doi               10.1039/D0NJ00094A
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C15 H15 Cl N3 Ni O2, Cl'
_chemical_formula_sum            'C15 H15 Cl2 N3 Ni O2'
_chemical_formula_weight         398.89
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_audit_update_record
;
2019-06-13 deposited with the CCDC.	2020-03-30 downloaded from the CCDC.
;
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_computing_cell_refinement       'APEX2(Bruker,2007)and SAINT (Bruker,2007)'
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;    
ORTEP-3 for Windows (Farrugia, 1997), DIAMOND (Brandenburg,
1999) and Mercury (Macrae <i>et al.</i>, 2006)
;
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_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area-detector'
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_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_reflns_limit_h_max       16
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_diffrn_reflns_limit_k_max       12
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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^)+(0.1000P)^2^+0.6725P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.1204
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3249
_reflns_number_total             3686
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj00094a2.cif
_cod_data_source_block           SM_KD8_0m_a
_cod_depositor_comments
;Adding full bibliography for 7059444--7059445.cif.

 Adding full bibliography for 7059444--7059445.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
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