Solid or Gel? Which one Works Better for [2+2] Photochemical Polymerization in Pyridine Appended Flexible Phenylene 1,4-bis-olefins by Ag…Ag Interactions
Mandal, Rajorshi; Garai, Abhijit; Biradha, Kumar; Dalton Transactions  (2019) –; doi:10.1039/C9DT04304G

data_7701941
_publ_section_title
;
 Solid or Gel? Which one Works Better for [2+2] Photochemical
 Polymerization in Pyridine Appended Flexible Phenylene 1,4-bis-olefins by
 Ag&#x2026;Ag Interactions
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C9DT04304G
_journal_year                    2019
_chemical_formula_sum            'C24 H22 Ag N5 O6'
_chemical_formula_weight         584.33
_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   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-10-04 deposited with the CCDC.	2019-11-14 downloaded from the CCDC.
;
_cell_angle_alpha                92.891(2)
_cell_angle_beta                 94.362(2)
_cell_angle_gamma                102.096(2)
_cell_formula_units_Z            2
_cell_length_a                   6.8255(5)
_cell_length_b                   8.4378(6)
_cell_length_c                   21.0383(15)
_cell_measurement_reflns_used    4649
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.252
_cell_measurement_theta_min      1.946
_cell_volume                     1178.57(15)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker Apex-2 CCD'
_diffrn_measurement_method       hemisphere
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0902
_diffrn_reflns_av_unetI/netI     0.0771
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            15004
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.252
_diffrn_reflns_theta_min         1.946
_exptl_absorpt_coefficient_mu    0.907
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.779
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.647
_exptl_crystal_description       Needle
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.886
_refine_diff_density_min         -1.232
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.882
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         4649
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.882
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0395
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0546P)^2^+0.3340P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0881
_refine_ls_wR_factor_ref         0.0968
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3804
_reflns_number_total             4649
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt04304g2.cif
_cod_data_source_block           CP-1
_cod_database_code               7701941
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              90521