First direct assembly of molecular helical complexes into a coordination polymer.
Semenov, Sergey N; Rogachev, Andrey Yu; Eliseeva, Svetlana V; Pettinari, Claudio; Marchetti, Fabio; Drozdov, Andrey A; Troyanov, Sergey I; Chemical communications (Cambridge, England)  (2008) 1992–1994; doi:10.1039/b719171e

data_7103087
_publ_section_title
;
 First direct assembly of molecular helical complexes into a
 coordination polymer.
;
_journal_issue                   17
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1992
_journal_page_last               1994
_journal_paper_doi               10.1039/b719171e
_journal_year                    2008
_chemical_formula_moiety         '[Tb2(C24H20N4O4)3(C3H7NO)2]'
_chemical_formula_sum            'C78 H74 N14 O14 Tb2'
_chemical_formula_weight         1749.35
_chemical_name_common            (Tb2(Q2Q)3(DMF)2)
_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                96.03(3)
_cell_angle_beta                 90.17(3)
_cell_angle_gamma                111.71(3)
_cell_formula_units_Z            2
_cell_length_a                   12.807(3)
_cell_length_b                   14.379(3)
_cell_length_c                   21.830(4)
_cell_measurement_reflns_used    32278
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      32.7980
_cell_measurement_theta_min      2.2813
_cell_volume                     3710.4(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  IPDS(Stoe)
_diffrn_measurement_method       '\f oscillation scan'
_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  0.0877
_diffrn_reflns_av_sigmaI/netI    0.0799
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            101982
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    1.966
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.748
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1764
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.308
_refine_diff_density_min         -1.247
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.203
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     893
_refine_ls_number_reflns         16377
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.203
_refine_ls_R_factor_all          0.1187
_refine_ls_R_factor_gt           0.0785
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0877P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1610
_refine_ls_wR_factor_ref         0.1774
_reflns_number_gt                12763
_reflns_number_total             16377
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b719171e.txt
_cod_data_source_block           Tb2q2qDMF
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7103087