Dibenzoeilatin: a novel ligand exhibiting remarkable complementary ??????? stacking interactionsElectronic supplementary information (ESI) available: experimental preparations and full identification of compounds. See http://www.rsc.org/suppdata/cc/b2/b206058b/
Bergman, Sheba D.; Reshef, Dvora; Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Chemical Communications  (2002) 2374–; doi:10.1039/b206058b

data_7114250
_publ_section_title
;
 Dibenzoeilatin: a novel ligand exhibiting remarkable complementary
 ??????? stacking interactionsElectronic supplementary information (ESI)
 available: experimental preparations and full identification of
 compounds. See http://www.rsc.org/suppdata/cc/b2/b206058b/
;
_journal_issue                   20
_journal_name_full               'Chemical Communications'
_journal_page_first              2374
_journal_paper_doi               10.1039/b206058b
_journal_year                    2002
_chemical_formula_moiety
'(C32 H16 N4), 2(C10 H8 N2), 2(C4 H10 O), (Ru), 2(P F6)'
_chemical_formula_sum            'C60 H52 F12 N8 O2 P2 Ru'
_chemical_formula_weight         1308.11
_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                80.2500(13)
_cell_angle_beta                 75.8620(12)
_cell_angle_gamma                64.2120(16)
_cell_formula_units_Z            2
_cell_length_a                   13.2420(3)
_cell_length_b                   14.3970(3)
_cell_length_c                   17.4090(5)
_cell_measurement_reflns_used    8004
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.87
_cell_measurement_theta_min      2.05
_cell_volume                     2890.31(13)
_computing_cell_refinement       Denzo
_computing_data_collection       'Collect, Nonius B.V.'
_computing_data_reduction        Denzo
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    DIRDIF-96
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean '56 microns'
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '0.8 deg. Phi & Omega 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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1099
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13111
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    0.417
_exptl_absorpt_correction_T_max  0.9213
_exptl_absorpt_correction_T_min  0.8444
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prisms
_exptl_crystal_F_000             1332
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.586
_refine_diff_density_min         -1.082
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     748
_refine_ls_number_reflns         13111
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.1460
_refine_ls_R_factor_gt           0.0833
_refine_ls_shift/su_max          0.344
_refine_ls_shift/su_mean         0.015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1203P)^2^+6.9898P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2107
_refine_ls_wR_factor_ref         0.2462
_reflns_number_gt                8004
_reflns_number_total             13111
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b206058b.txt
_cod_data_source_block           mk74
_cod_original_cell_volume        2890.31(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7114250