Photophysical Properties of Ag, Zn, Cd having N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of π-Stacking and C-H···O Interactions
Baruah, Jubaraj Bikash; Singh, Munendra Pal; CrystEngComm  (2020) –; doi:10.1039/D0CE00555J

data_7240588
_publ_section_title
;
 Photophysical Properties of Ag, Zn, Cd having
 N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of
 \p-Stacking and C-H&#x00B7;&#x00B7;&#x00B7;O Interactions
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00555J
_journal_year                    2020
_chemical_formula_sum            'C52 H34 Ag2 N4 O10'
_chemical_formula_weight         1090.57
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-12-30 deposited with the CCDC.	2020-05-29 downloaded from the CCDC.
;
_cell_angle_alpha                108.038(7)
_cell_angle_beta                 100.678(6)
_cell_angle_gamma                101.982(7)
_cell_formula_units_Z            1
_cell_length_a                   7.2353(5)
_cell_length_b                   11.8726(10)
_cell_length_c                   14.1900(10)
_cell_measurement_reflns_used    2018
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.3910
_cell_measurement_theta_min      2.8480
_cell_volume                     1092.21(16)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0494
_diffrn_reflns_av_unetI/netI     0.0687
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6926
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.037
_diffrn_reflns_theta_max         25.037
_diffrn_reflns_theta_min         2.852
_exptl_absorpt_coefficient_mu    0.965
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_description       block
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.424
_refine_diff_density_min         -0.443
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         3813
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0498
_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^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1313
_refine_ls_wR_factor_ref         0.1754
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2794
_reflns_number_total             3813
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ce00555j2.cif
_cod_data_source_block           complex1
_cod_original_cell_volume        1092.21(15)
_cod_database_code               7240588
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              72253