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_7701942
_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            'C72 H72 Ag3 N15 O18'
_chemical_formula_weight         1759.05
_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-2018/3
_audit_update_record
;
2019-10-04 deposited with the CCDC.	2019-11-14 downloaded from the CCDC.
;
_cell_angle_alpha                96.200(2)
_cell_angle_beta                 98.497(2)
_cell_angle_gamma                97.394(2)
_cell_formula_units_Z            2
_cell_length_a                   12.0899(8)
_cell_length_b                   13.7717(9)
_cell_length_c                   23.2339(15)
_cell_measurement_reflns_used    14786
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.273
_cell_measurement_theta_min      0.894
_cell_volume                     3762.2(4)
_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 0.990
_diffrn_measured_fraction_theta_max 0.971
_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  0.0674
_diffrn_reflns_av_unetI/netI     0.0813
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            48006
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.273
_diffrn_reflns_theta_min         0.894
_exptl_absorpt_coefficient_mu    0.852
_exptl_absorpt_correction_T_max  0.830
_exptl_absorpt_correction_T_min  0.795
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1788
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.273
_refine_diff_density_min         -1.128
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.823
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     925
_refine_ls_number_reflns         14786
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.823
_refine_ls_R_factor_all          0.1009
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1708P)^2^+1.5775P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1768
_refine_ls_wR_factor_ref         0.2215
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8895
_reflns_number_total             14786
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt04304g2.cif
_cod_data_source_block           CP-2
_cod_database_code               7701942
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              31857
_shelx_fab_checksum              27633