# Copyright The Royal Society of Chemistry, 1999 # CCDC Number: 1145/133 data_maxus _publ_section_title ; Crystal and molecular structure of d41d ; _publ_section_abstract ; We present the crystal and molecular structure of d41d . ; _publ_section_comment ; The study of the titled structure was undertaken to establish its three dimensional structure. Geometries are tabulated below. All Diagrams and calculations were performed using maXus (MacScience, Japan). ; _chemical_compound_source 'Local laboratory' _exptl_crystal_description 'flat' _exptl_crystal_colour 'Colourless' _exptl_crystal_size_max 0.80 _exptl_crystal_size_mid 0.40 _exptl_crystal_size_min 0.05 _chemical_formula_sum 'C12 H60 B12 N24' _chemical_formula_weight 670.50 _cell_length_a 7.992(2) _cell_length_b 9.275(1) _cell_length_c 12.987(3) _cell_angle_alpha 90.0 _cell_angle_beta 106.356(5) _cell_angle_gamma 90.0 _cell_volume 923.7(3) _cell_measurement_reflns_used '' _cell_measurement_theta_min '' _cell_measurement_theta_max '' _cell_formula_units_Z 1 _exptl_crystal_density_diffrn 1.21 _exptl_crystal_density_meas '' _exptl_absorpt_coefficient_mu 0.795 _cell_measurement_temperature '295' _exptl_absorpt_correction_type 'none' _diffrn_reflns_number 2129 _reflns_number_total 2009 _reflns_number_observed 417 _reflns_observed_criterion 'refl_observed_if_I_>_3.00_sigma(I)' _diffrn_reflns_theta_max 23.78 _refine_ls_structure_factor_coef F _refine_ls_R_factor_obs 0.042 _refine_ls_wR_factor_obs 0.043 _refine_ls_hydrogen_treatment 'noref' _refine_ls_number_reflns 417 _refine_ls_number_parameters 109 _refine_ls_goodness_of_fit_obs 1.211 _refine_ls_weighting_scheme 'Count statistics' _refine_ls_shift/esd_max 0.0083 _refine_ls_shift/esd_mean 0.0024 _refine_diff_density_min -0.12 _refine_diff_density_max 0.10 _refine_ls_extinction_method 'None' _atom_type_scat_source 'D.Waasmaier&A.Kirfel,Acta Cryst.1995,A51, 416-431' _computing_data_reduction 'maXus' _computing_molecular_graphics 'maXus' _computing_publication_material 'maXus' _computing_structure_refinement 'maXus' _computing_structure_solution 'maXus' _diffrn_measurement_device 'KappaCCD' _computing_data_collection 'KappaCCD' _diffrn_radiation_type 'MoK\a' _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 15 _diffrn_radiation_wavelength 0.71073 _diffrn_orient_matrix_type 'X=UH' _diffrn_orient_matrix_UB_11 0.01000 _diffrn_orient_matrix_UB_12 0.00000 _diffrn_orient_matrix_UB_13 0.00000 _diffrn_orient_matrix_UB_21 0.00000 _diffrn_orient_matrix_UB_22 0.01000 _diffrn_orient_matrix_UB_23 0.00000 _diffrn_orient_matrix_UB_31 0.00000 _diffrn_orient_matrix_UB_32 0.00000 _diffrn_orient_matrix_UB_33 0.01000 loop_ _symmetry_equiv_pos_as_xyz +X,+Y,+Z -X,-Y,-Z -X+1/2,+Y+1/2,-Z+1/2 +X+1/2,-Y+1/2,+Z+1/2 _symmetry_space_group_name_H-M 'P 21/n ' _symmetry_cell_setting 'Monoclinic' #================================================== # ATOMIC COORDINATES AND THERMAL PARAMETERS loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_thermal_displace_type N1 -0.0863(5) 0.3609(4) 0.1897(3) 0.059(3) 1.00 Uij N3 0.0272(5) 0.2840(3) 0.0415(3) 0.050(3) 1.00 Uij N5 0.1907(4) 0.4575(3) 0.1736(3) 0.053(3) 1.00 Uij N6 0.0811(5) 0.5293(4) 0.3275(3) 0.085(3) 1.00 Uij N2 -0.2687(4) 0.2034(4) 0.0479(3) 0.076(3) 1.00 Uij N4 0.3043(5) 0.3790(4) 0.0232(3) 0.084(3) 1.00 Uij C3 0.0077(6) 0.2007(4) -0.0567(4) 0.078(3) 1.00 Uij C5 0.3370(6) 0.5592(5) 0.2106(4) 0.087(4) 1.00 Uij C1 -0.2109(6) 0.3469(5) 0.2515(4) 0.102(4) 1.00 Uij B2 -0.1120(7) 0.2830(6) 0.0910(5) 0.054(4) 1.00 Uij B6 0.0639(8) 0.4505(6) 0.2314(5) 0.053(5) 1.00 Uij B4 0.1746(7) 0.3765(6) 0.0790(5) 0.052(4) 1.00 Uij H6A 0.173(7) 0.581(6) 0.348(5) 0.05(2) 1.00 Uiso H5A 0.421(7) 0.514(6) 0.246(5) 0.05(2) 1.00 Uiso H5B 0.388(7) 0.570(6) 0.157(4) 0.05(3) 1.00 Uiso H3A -0.069(7) 0.134(5) -0.075(4) 0.05(3) 1.00 Uiso H2A -0.285(7) 0.156(6) -0.011(4) 0.05(2) 1.00 Uiso H5C 0.337(7) 0.594(6) 0.278(4) 0.05(3) 1.00 Uiso H3B 0.094(6) 0.138(5) -0.048(4) 0.05(2) 1.00 Uiso H1A -0.169(6) 0.397(6) 0.321(4) 0.05(6) 1.00 Uiso H1B -0.308(6) 0.406(5) 0.228(4) 0.05(5) 1.00 Uiso H6B 0.024(7) 0.537(7) 0.363(5) 0.05(3) 1.00 Uiso H4A 0.284(6) 0.337(5) -0.049(4) 0.05(2) 1.00 Uiso H1C -0.281(6) 0.267(5) 0.235(4) 0.05(5) 1.00 Uiso H2B -0.350(7) 0.235(6) 0.064(5) 0.05(4) 1.00 Uiso H4B 0.372(7) 0.442(6) 0.043(5) 0.05(5) 1.00 Uiso H3C -0.003(6) 0.248(5) -0.116(4) 0.05(3) 1.00 Uiso loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 N1 0.054(3) 0.063(3) 0.059(4) 0.007(2) 0.029(3) 0.004(3) N3 0.055(3) 0.044(3) 0.049(3) 0.002(2) 0.018(3) -.003(2) N5 0.054(3) 0.040(3) 0.057(3) -.001(2) 0.008(3) -.003(2) N6 0.086(3) 0.078(3) 0.085(4) 0.002(2) 0.028(3) -.016(3) N2 0.066(3) 0.074(3) 0.083(4) -.014(2) 0.026(3) -.013(2) N4 0.068(3) 0.100(3) 0.083(3) -.016(2) 0.036(3) -.011(3) C3 0.097(4) 0.067(3) 0.065(4) -.005(3) 0.029(3) -.019(3) C5 0.075(4) 0.101(4) 0.076(4) -.031(3) 0.011(3) -.017(3) C1 0.080(4) 0.121(5) 0.102(5) -.012(3) 0.046(4) -.029(4) B2 0.056(4) 0.052(4) 0.048(5) -.002(3) 0.009(4) 0.015(4) B6 0.059(4) 0.047(4) 0.049(5) 0.022(4) 0.010(4) 0.016(4) B4 0.049(4) 0.046(4) 0.057(5) 0.004(3) 0.014(4) 0.014(3) loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C1 N1 B2 N3 -171.0(7) . . . . ? C1 N1 B2 N2 6.4(5) . . . . ? C1 N1 B6 N5 176.5(7) . . . . ? C1 N1 B6 N6 -3.9(5) . . . . ? B6 N1 B2 N3 7.1(5) . . . . ? B2 N1 B6 N5 -1.7(5) . . . . ? B2 N1 B6 N6 177.9(8) . . . . ? B6 N1 B2 N2 -175.4(8) . . . . ? C3 N3 B2 N1 177.5(7) . . . . ? C3 N3 B2 N2 0.1(5) . . . . ? C3 N3 B4 N5 179.4(7) . . . . ? C3 N3 B4 N4 -3.6(4) . . . . ? B4 N3 B2 N1 -9.6(5) . . . . ? B2 N3 B4 N5 6.5(5) . . . . ? B4 N3 B2 N2 173.0(8) . . . . ? B2 N3 B4 N4 -176.5(7) . . . . ? C5 N5 B6 N1 174.6(7) . . . . ? C5 N5 B6 N6 -5.0(5) . . . . ? C5 N5 B4 N3 -176.9(7) . . . . ? C5 N5 B4 N4 6.2(5) . . . . ? B4 N5 B6 N1 -1.7(5) . . . . ? B6 N5 B4 N3 -0.7(5) . . . . ? B4 N5 B6 N6 178.7(8) . . . . ? B6 N5 B4 N4 -177.6(8) . . . . ? B2 N1 C1 H1B -83.3(34) . . . . ? B2 N1 C1 H1C 18.9(35) . . . . ? B6 N1 C1 H1B 98.4(34) . . . . ? B6 N1 C1 H1C -159.3(35) . . . . ? B2 N3 C3 H3A -17.6(42) . . . . ? B2 N3 C3 H3B -122.8(35) . . . . ? B2 N3 C3 H3C 111.3(38) . . . . ? B4 N3 C3 H3A 169.3(42) . . . . ? B4 N3 C3 H3B 64.1(35) . . . . ? B4 N3 C3 H3C -61.8(38) . . . . ? B6 N5 C5 H5A 99.0(44) . . . . ? B6 N5 C5 H5B -164.5(37) . . . . ? B6 N5 C5 H5C 11.3(35) . . . . ? B4 N5 C5 H5A -84.7(44) . . . . ? B4 N5 C5 H5B 11.8(36) . . . . ? B4 N5 C5 H5C -172.4(35) . . . . ? H6A N6 B6 N1 -179.7(41) . . . . ? H6A N6 B6 N5 -0.1(41) . . . . ? H6B N6 B6 N1 -2.3(65) . . . . ? H6B N6 B6 N5 177.3(66) . . . . ? H2A N2 B2 N1 -179.3(42) . . . . ? H2A N2 B2 N3 -2.0(42) . . . . ? H2B N2 B2 N1 28.2(45) . . . . ? H2B N2 B2 N3 -154.5(45) . . . . ? H4B N4 B4 N3 170.1(44) . . . . ? H4B N4 B4 N5 -13.0(44) . . . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag N1 C1 1.451(6) . . ? N1 B2 1.435(6) . . ? N1 B6 1.434(6) . . ? N3 C3 1.462(5) . . ? N3 B2 1.434(6) . . ? N3 B4 1.428(6) . . ? N5 C5 1.474(5) . . ? N5 B6 1.422(6) . . ? N5 B4 1.414(6) . . ? N6 B6 1.419(6) . . ? N2 B2 1.426(6) . . ? N4 B4 1.423(6) . . ? N6 H6A 0.849(4) . . ? N6 H6B 0.730(4) . . ? N2 H2A 0.857(4) . . ? N2 H2B 0.786(4) . . ? N4 H4B 0.785(4) . . ? C3 H3A 0.854(5) . . ? C3 H3B 0.882(5) . . ? C3 H3C 0.870(5) . . ? C5 H5A 0.813(5) . . ? C5 H5B 0.907(5) . . ? C5 H5C 0.929(5) . . ? C1 H1B 0.931(5) . . ? C1 H1C 0.919(5) . . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C1 N1 B2 120.1(5) . . . ? C1 N1 B6 118.4(5) . . . ? B2 N1 B6 121.5(5) . . . ? C3 N3 B2 118.9(5) . . . ? C3 N3 B4 119.4(5) . . . ? B2 N3 B4 121.4(5) . . . ? C5 N5 B6 118.4(5) . . . ? C5 N5 B4 119.5(5) . . . ? B6 N5 B4 122.0(5) . . . ? N1 B2 N3 117.6(5) . . . ? N1 B2 N2 120.0(5) . . . ? N3 B2 N2 122.3(6) . . . ? N1 B6 N5 118.1(5) . . . ? N1 B6 N6 119.6(5) . . . ? N5 B6 N6 122.3(6) . . . ? N3 B4 N5 118.7(5) . . . ? N3 B4 N4 119.0(6) . . . ? N5 B4 N4 122.2(5) . . . ? B6 N6 H6A 114.8(5) . . . ? B6 N6 H6B 132.2(5) . . . ? H6A N6 H6B 112.9(5) . . . ? B2 N2 H2A 120.9(5) . . . ? B2 N2 H2B 113.8(5) . . . ? H2A N2 H2B 119.3(5) . . . ? B4 N4 H4B 112.3(5) . . . ? N3 C3 H3A 120.7(5) . . . ? N3 C3 H3B 110.2(5) . . . ? N3 C3 H3C 117.8(5) . . . ? H3A C3 H3B 92.0(4) . . . ? H3A C3 H3C 103.8(6) . . . ? H3B C3 H3C 109.0(5) . . . ? N5 C5 H5A 107.6(5) . . . ? N5 C5 H5B 107.9(4) . . . ? N5 C5 H5C 108.5(5) . . . ? H5A C5 H5B 90.6(5) . . . ? H5A C5 H5C 82.4(5) . . . ? H5B C5 H5C 143.4(6) . . . ? N1 C1 H1B 114.2(5) . . . ? N1 C1 H1C 114.5(5) . . . ? H1B C1 H1C 90.3(5) . . . ? loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 _geom_contact_publ_flag N1 C5 3.467(5) 1_555 3_545 ? N6 H2A 2.691(4) 1_555 4_666 ? C3 C5 3.667(7) 1_555 2_565 ? C3 C5 3.805(7) 1_555 4_565 ? C3 C1 3.822(7) 1_555 4_665 ? C3 H5A 3.164(5) 1_555 4_565 ? C5 C1 3.932(6) 1_555 3_555 ? C5 B2 3.548(7) 1_555 3_555 ? C5 B6 3.745(8) 1_555 3_555 ? C5 H1B 3.120(5) 1_555 1_655 ? C5 H3C 3.161(5) 1_555 2_565 ? C1 H4A 3.108(5) 1_555 4_566 ? B2 H5C 2.950(5) 1_555 3_545 ? B4 B4 3.745(9) 1_555 2_565 ? B4 H6A 3.046(5) 1_555 3_545 ? N1 C5 3.467(5) 1_555 3_545 ? N6 H2A 2.691(4) 1_555 4_666 ? C3 C5 3.667(7) 1_555 2_565 ? C3 C5 3.805(7) 1_555 4_565 ? C3 C1 3.822(7) 1_555 4_665 ? C3 H5A 3.164(5) 1_555 4_565 ? C5 C1 3.932(6) 1_555 3_555 ? C5 B2 3.548(7) 1_555 3_555 ? C5 B6 3.745(8) 1_555 3_555 ? C5 H1B 3.120(5) 1_555 1_655 ? C5 H3C 3.161(5) 1_555 2_565 ? C1 H4A 3.108(5) 1_555 4_566 ? B2 H5C 2.950(5) 1_555 3_545 ? B4 B4 3.745(9) 1_555 2_565 ? B4 H6A 3.046(5) 1_555 3_545 ? #=================================================== loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma 0 0 2 22.6 29.8 4.7 0 0 4 1623.0 1949.1 94.0 0 0 8 765.4 765.8 37.7 0 1 2 2569.8 2938.8 79.0 0 1 3 168.0 172.7 5.4 0 1 4 300.1 298.0 8.4 0 1 5 664.9 677.0 19.4 0 1 6 690.4 696.3 18.2 0 1 7 173.6 164.1 9.0 0 1 8 50.0 41.9 9.8 0 1 9 52.4 46.0 9.6 0 2 1 2522.9 2695.6 74.4 0 2 2 6458.1 7325.6 208.2 0 2 3 92.5 91.7 4.3 0 2 4 73.5 83.6 5.1 0 2 5 648.1 650.0 18.1 0 2 6 698.1 717.3 22.8 0 2 7 62.3 59.1 9.3 0 3 1 124.6 109.9 7.5 0 3 2 243.6 234.4 6.7 0 3 3 54.1 57.5 4.6 0 3 4 717.6 691.2 16.7 0 3 11 69.2 47.1 14.9 0 4 1 231.0 232.8 13.0 0 4 3 33.9 24.4 6.2 0 4 4 116.6 102.0 7.3 0 4 5 41.3 41.1 5.7 0 5 1 217.3 231.3 12.4 0 5 2 84.0 89.3 3.7 0 5 5 25.5 41.7 7.2 0 5 8 40.6 30.9 9.4 0 6 3 13.3 8.9 3.5 0 7 4 141.2 132.5 6.6 1 0 -9 54.9 42.2 17.0 1 0 -7 54.9 52.5 11.1 1 0 -5 939.7 932.0 42.8 1 0 -3 225.4 222.0 8.5 1 0 1 674.2 745.0 24.9 1 0 3 183.4 180.8 7.5 1 0 5 125.4 124.4 13.1 1 0 7 1132.5 991.1 50.4 1 1 -7 29.7 34.0 6.9 1 1 -6 795.4 822.4 27.3 1 1 -4 24.6 21.1 3.7 1 1 -3 298.8 299.9 8.3 1 1 -2 72.2 72.1 2.6 1 1 -1 1081.0 1005.8 58.6 1 1 0 2041.4 2018.8 56.1 1 1 1 549.7 589.3 12.4 1 1 2 2785.2 2868.3 65.5 1 1 4 151.9 154.9 6.3 1 1 5 35.9 35.0 6.5 1 1 6 42.9 32.0 7.8 1 1 7 76.1 85.9 9.3 1 2 -9 42.0 47.5 10.4 1 2 -7 282.6 261.7 11.1 1 2 -6 255.7 226.7 10.1 1 2 -5 48.1 50.4 5.6 1 2 -4 56.7 56.6 4.5 1 2 -2 438.7 466.2 10.7 1 2 -1 155.2 157.4 4.3 1 2 0 95.2 95.0 4.3 1 2 1 9749.6 11024.9 264.3 1 2 2 9366.0 10350.0 271.5 1 2 4 40.6 35.1 5.3 1 2 6 419.6 391.2 15.1 1 2 9 107.6 100.8 12.1 1 3 -8 38.2 27.2 10.9 1 3 -7 43.5 38.0 7.8 1 3 -4 1102.1 1069.0 32.4 1 3 -3 698.8 680.8 17.4 1 3 -1 374.6 371.4 11.7 1 3 1 2489.3 2718.4 71.8 1 3 3 138.4 141.5 5.6 1 3 4 469.7 454.4 17.4 1 3 6 64.9 72.4 8.2 1 3 8 49.8 47.3 10.2 1 3 9 75.7 72.1 12.1 1 4 -8 78.4 87.4 11.9 1 4 -6 45.9 50.6 7.0 1 4 -5 411.2 403.2 11.4 1 4 -4 725.0 694.2 23.0 1 4 -3 43.5 31.3 5.0 1 4 -2 93.1 85.6 5.0 1 4 -1 487.8 464.4 15.3 1 4 1 57.8 61.6 2.9 1 4 2 261.6 256.2 7.7 1 4 3 1733.0 1670.1 53.5 1 4 4 1017.8 1001.7 28.9 1 4 5 21.7 23.6 6.5 1 5 -9 89.8 94.4 11.6 1 5 -7 54.0 51.1 7.9 1 5 -6 76.3 85.2 7.1 1 5 -3 339.0 318.4 9.3 1 5 0 127.8 123.6 7.9 1 5 2 48.0 46.1 4.4 1 5 3 254.2 250.5 7.9 1 5 5 303.7 309.7 10.1 1 6 -2 460.1 457.5 23.9 1 6 1 22.8 21.5 3.7 1 6 2 32.9 28.7 4.3 1 6 4 54.0 62.5 5.0 1 6 5 30.5 16.5 6.1 1 6 6 163.6 183.9 9.7 1 7 -7 27.2 25.7 8.2 1 7 -2 87.4 93.4 5.1 1 7 3 216.1 222.6 9.2 1 7 4 57.1 74.8 4.7 1 7 5 35.4 29.5 9.1 1 7 6 59.4 58.8 7.8 1 8 -4 67.7 82.2 6.3 1 8 -3 35.0 32.3 8.6 1 8 3 81.5 91.1 13.0 1 8 4 175.8 193.9 17.5 2 0 -12 161.8 171.5 18.7 2 0 -8 82.0 84.9 10.6 2 0 -6 64.5 57.0 13.8 2 0 -2 328.0 342.8 10.7 2 0 0 349.4 346.7 15.3 2 0 2 444.7 433.2 14.4 2 0 4 723.8 758.3 33.4 2 1 -11 149.9 168.7 15.8 2 1 -10 102.9 101.3 13.8 2 1 -9 37.4 31.5 11.1 2 1 -5 528.9 531.7 15.7 2 1 -4 933.4 945.5 18.8 2 1 -3 426.7 427.4 18.0 2 1 -2 571.7 571.7 14.7 2 1 -1 361.4 348.6 9.1 2 1 0 88.1 89.2 3.1 2 1 1 569.2 588.8 17.7 2 1 4 217.8 208.1 8.1 2 1 5 24.5 17.8 6.1 2 2 -13 128.6 97.3 18.8 2 2 -7 172.9 170.3 8.4 2 2 -6 170.2 174.4 6.5 2 2 -5 212.9 215.9 6.7 2 2 -4 55.3 57.9 5.3 2 2 -3 892.3 882.5 30.7 2 2 -2 358.8 342.6 9.9 2 2 -1 29.5 21.8 3.0 2 2 0 119.4 120.3 3.2 2 2 1 22.3 29.3 2.9 2 2 2 120.5 119.7 4.1 2 2 3 27.8 28.0 4.8 2 2 8 137.4 139.3 13.6 2 3 -12 97.7 51.0 24.2 2 3 -8 92.2 78.8 9.4 2 3 -7 37.7 48.0 7.9 2 3 -6 220.0 221.6 8.4 2 3 -5 468.4 498.0 21.8 2 3 -3 67.0 66.6 4.0 2 3 -2 249.5 249.2 9.2 2 3 -1 438.5 407.0 19.9 2 3 0 27.2 20.0 3.7 2 3 1 1423.0 1368.9 45.8 2 3 2 197.5 189.9 6.7 2 3 3 389.4 391.9 10.3 2 3 4 112.2 110.1 7.2 2 3 6 67.2 69.6 10.5 2 3 7 45.0 46.0 12.8 2 4 -8 127.6 115.5 9.6 2 4 -7 237.7 246.6 10.7 2 4 -5 282.3 294.8 8.9 2 4 -3 29.6 21.7 4.9 2 4 -1 608.4 584.3 23.8 2 4 0 543.0 503.5 18.3 2 4 1 27.6 29.2 3.9 2 4 2 123.9 123.3 5.1 2 4 3 1752.0 1928.2 59.1 2 4 4 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