A sustainable approach for nickel nanoparticles synthesis: expeditious access to N-heterocycles under heterogeneous condition and photophysical studies
R., Thrilokraj; Hegde, Rajeev V.; Ghosh, Arnab; Limaye, Akshay S.; Rode, Haridas B.; Sridhar, Balasubramanian; Dateer, Ramesh B.; New Journal of Chemistry 47 (2023) 8268–8276; doi:10.1039/D3NJ00988B

data_7062389
_publ_section_title
;
 A sustainable approach for nickel nanoparticles synthesis: expeditious
 access to N-heterocycles under heterogeneous condition and photophysical
 studies
;
_journal_issue                   17
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              8268
_journal_page_last               8276
_journal_paper_doi               10.1039/D3NJ00988B
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         'C14 H10 N2'
_chemical_formula_sum            'C14 H10 N2'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2022-10-07 deposited with the CCDC.	2023-03-28 downloaded from the CCDC.
;
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_cell_measurement_theta_min      2.19
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_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2016)'
_computing_data_collection       '<i>APEX3</i> (Bruker, 2016)'
_computing_data_reduction        'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
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_diffrn_measured_fraction_theta_max 0.998
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_diffrn_measurement_method       '\w and \f'
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_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
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_diffrn_reflns_limit_h_min       -24
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_diffrn_reflns_limit_k_min       -5
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_diffrn_reflns_limit_l_min       -14
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.7457
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
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_refine_diff_density_min         -0.195
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_refine_ls_abs_structure_details
;
 Flack x determined using 595 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -2.4(10)
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_refine_ls_R_factor_all          0.1132
_refine_ls_R_factor_gt           0.0608
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0339P)^2^+0.7071P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1332
_refine_ls_wR_factor_ref         0.1598
_reflns_Friedel_coverage         0.883
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.976
_reflns_number_gt                1580
_reflns_number_total             2564
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           KB99_0m
_cod_depositor_comments          'Adding full bibliography for 7062389.cif.'
_cod_original_cell_volume        1047.3(9)
_cod_database_code               7062389
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.985
_shelx_estimated_absorpt_t_max   0.995
_shelx_res_checksum              66542
_shelx_hkl_checksum              82596