Sequential insertion of three different organometallics into a versatile building block containing a PNA backbone.
Patra, Malay; Gasser, Gilles; Bobukhov, Dmytro; Merz, Klaus; Shtemenko, Alexander V.; Metzler-Nolte, Nils; Dalton transactions (Cambridge, England : 2003) 39 (2010) 5617–5619; doi:10.1039/c003598j

data_7025795
_publ_section_title
;
 Sequential insertion of three different organometallics into a versatile
 building block containing a PNA backbone.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5617
_journal_page_last               5619
_journal_paper_doi               10.1039/c003598j
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C42 H35 B N3 O3 Re'
_chemical_formula_weight         826.75
_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                108.477(9)
_cell_angle_beta                 91.253(10)
_cell_angle_gamma                101.914(9)
_cell_formula_units_Z            2
_cell_length_a                   9.135(4)
_cell_length_b                   12.789(6)
_cell_length_c                   19.230(9)
_cell_measurement_reflns_used    164
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      43.7
_cell_measurement_theta_min      9.2
_cell_volume                     2075.6(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_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  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0734
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            11212
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    2.965
_exptl_absorpt_correction_T_max  0.7559
_exptl_absorpt_correction_T_min  0.5886
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.244
_refine_diff_density_min         -2.340
_refine_diff_density_rms         0.160
_refine_ls_extinction_coef       0.0055(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         6947
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0476
_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^)+(0.0931P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1301
_refine_ls_wR_factor_ref         0.1355
_reflns_number_gt                6075
_reflns_number_total             6947
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c003598j.txt
_cod_data_source_block           090914t
_cod_original_cell_volume        2075.6(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7025795