Aggregation of imine-based metallo-supramolecular architectures through pi-pi interactions.
Pascu, Mirela; Clarkson, Guy J.; Kariuki, Benson M.; Hannon, Michael J.; Dalton transactions (Cambridge, England : 2003)  (2006) 2635–2642; doi:10.1039/b517643c

data_7007110
_publ_section_title
;
 Aggregation of imine-based metallo-supramolecular architectures
 through pi-pi interactions.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2635
_journal_page_last               2642
_journal_paper_doi               10.1039/b517643c
_journal_year                    2006
_chemical_formula_sum            'C69.5 H52 Ag2 F12 N8 O0.5 P2'
_chemical_formula_weight         1512.87
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                84.576(8)
_cell_angle_beta                 69.772(8)
_cell_angle_gamma                85.742(9)
_cell_formula_units_Z            1
_cell_length_a                   11.620(4)
_cell_length_b                   11.942(5)
_cell_length_c                   13.638(5)
_cell_measurement_reflns_used    3717
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      26.10
_cell_measurement_theta_min      3.10
_cell_volume                     1766.1(12)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1994)'
_computing_data_reduction        'SAINT (Siemens, 1995)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.850
_diffrn_measurement_device_type  'Siemens SMART diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_sigmaI/netI    0.1405
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10961
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.01
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        nil
_exptl_absorpt_coefficient_mu    0.677
_exptl_absorpt_correction_T_max  0.9734
_exptl_absorpt_correction_T_min  0.8118
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             761
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.796
_refine_diff_density_min         -0.394
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.917
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         7986
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.917
_refine_ls_R_factor_all          0.1504
_refine_ls_R_factor_gt           0.0648
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0734P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1424
_refine_ls_wR_factor_ref         0.1736
_reflns_number_gt                3817
_reflns_number_total             7986
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b517643c.txt
_cod_data_source_block           mp6
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C69.50 H52 Ag2 F12 N8 O0.50 P2'
_cod_database_code               7007110