#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/00/31/2003117.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2003117 loop_ _publ_author_name 'Hoffmann, R.-D.' 'Jeitschko, W.' _publ_section_title ; The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~ ; _journal_coeditor_code SH0107 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 834 _journal_page_last 850 _journal_paper_doi 10.1107/S0108768198004984 _journal_volume 54 _journal_year 1998 _chemical_formula_sum 'C19 Er10 Ru10' _chemical_formula_weight 2911.49 _space_group_IT_number 38 _space_group_name_Hall 'A 2 -2' _space_group_name_H-M_alt 'A m m 2' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_Hall 'A 2 -2' _symmetry_space_group_name_H-M 'A m m 2' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_formula_units_Z 1 _cell_length_a 3.6097(4) _cell_length_b 18.632(2) _cell_length_c 7.2890(10) _cell_measurement_temperature 293(2) _cell_volume 490.23(10) _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _diffrn_ambient_temperature 293(2) _diffrn_measurement_method \q/2\q _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 0.0690 _diffrn_reflns_av_sigmaI/netI 0.0430 _diffrn_reflns_limit_h_max 5 _diffrn_reflns_limit_h_min -5 _diffrn_reflns_limit_k_max 29 _diffrn_reflns_limit_k_min -29 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_number 4232 _diffrn_reflns_theta_max 34.84 _diffrn_reflns_theta_min 2.19 _exptl_absorpt_coefficient_mu 49.695 _exptl_absorpt_correction_type psi-scan _exptl_crystal_density_diffrn 9.862 _exptl_crystal_F_000 1234 _exptl_crystal_size_max 0.055 _exptl_crystal_size_mid 0.017 _exptl_crystal_size_min 0.009 _refine_diff_density_max 4.078 _refine_diff_density_min -4.794 _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.00(2) _refine_ls_extinction_coef 0.00025(5) _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_all 1.287 _refine_ls_goodness_of_fit_obs 1.280 _refine_ls_matrix_type full _refine_ls_number_parameters 40 _refine_ls_number_reflns 1224 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.286 _refine_ls_restrained_S_obs 1.279 _refine_ls_R_factor_all 0.0427 _refine_ls_R_factor_obs 0.0310 _refine_ls_shift/esd_max -0.006 _refine_ls_shift/esd_mean 0.001 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0083P)^2^+26.0977P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_all 0.0632 _refine_ls_wR_factor_obs 0.0606 _reflns_number_observed 1088 _reflns_number_total 1239 _reflns_observed_criterion >2sigma(I) _cod_data_source_file sh0107sup1.cif _cod_data_source_block 2 _cod_depositor_comments ; The following automatic conversions were performed: '_refine_ls_weighting_scheme' value 'calc w=1/[\s^2^(Fo^2^)+(0.0083P)^2^+26.0977P] where P=(Fo^2^+2Fc^2^)/3' was changed to 'calc'. New tag '_refine_ls_weighting_details' was created. The value of the new tag was set to 'w=1/[\s^2^(Fo^2^)+(0.0083P)^2^+26.0977P] where P=(Fo^2^+2Fc^2^)/3'. Automatic conversion script Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas ; _cod_database_code 2003117 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' 'x, -y, z' '-x, y, z' 'x, y+1/2, z+1/2' '-x, -y+1/2, z+1/2' 'x, -y+1/2, z+1/2' '-x, y+1/2, z+1/2' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_group Er Er1A 0.0000 0.11293(8) 0.6039(2) 0.0041(2) Uiso d SP 0.50 . Er Er1B 0.0000 0.12562(8) 0.6261(2) 0.0041(2) Uiso d SP 0.50 . Er Er2A 0.0000 0.1944(2) 0.1634(6) 0.0052(2) Uiso d SP 0.50 . Er Er2B 0.0000 0.1885(2) 0.1650(6) 0.0052(2) Uiso d SP 0.50 . Er Er3A 0.0000 0.0000 0.0442(3) 0.0046(2) Uiso d SP 0.50 . Er Er3B 0.0000 0.0000 -0.0003(3) 0.0046(2) Uiso d SP 0.50 . Ru Ru1 0.4251(4) 0.07306(7) 0.3073(2) 0.0026(3) Uiso d P 0.50 . Ru Ru2 0.4800(10) 0.20337(6) 0.8515(2) 0.0062(2) Uiso d P 0.50 . Ru Ru3 0.4321(5) 0.0000 0.6460(3) 0.0027(4) Uiso d SP 0.50 . C C1 0.5000 0.0813(6) 0.8509(19) 0.005(2) Uiso d S 1 . C C2 0.5000 0.1027(6) 0.0318(17) 0.005(2) Uiso d S 1 . C C3 0.5000 0.1777(8) 0.4070(18) 0.010(2) Uiso d S 1 . C C4 0.5000 0.2167(8) 0.567(2) 0.010(2) Uiso d S 1 . C C5A 0.210(8) 0.0000 0.423(4) 0.005 Uiso d SP 0.50 . C C5B 0.0000 0.0000 0.427(5) 0.005 Uiso d SP 0.50 . loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Er1A Er1B . 0.286(2) ? Er1A C5B . 2.46(2) ? Er1A C5A 2 2.59(2) ? Er1A C5A . 2.59(2) ? Er1A C3 1_455 2.602(10) ? Er1A C3 . 2.602(10) ? Er1A C1 . 2.605(10) ? Er1A C1 1_455 2.605(10) ? Er1A Ru3 2 2.637(2) ? Er1A Ru3 . 2.637(2) ? Er1A C4 . 2.665(12) ? Er1A C4 1_455 2.665(12) ? Er1A Ru1 4 2.754(2) ? Er1A Ru1 . 2.754(2) ? Er1A Ru3 1_455 2.954(2) ? Er1A Ru3 2_655 2.954(2) ? Er1A Ru2 . 3.058(2) ? Er1A Ru2 4 3.058(2) ? Er1A Ru1 1_455 3.088(2) ? Er1A Ru1 4_655 3.088(2) ? Er1A Ru2 4_655 3.058(2) ? Er1A Ru2 1_455 3.058(2) ? Er1A Er2B . 3.499(4) ? Er1A Er2A . 3.548(4) ? Er1A Er3B 1_556 3.571(2) ? Er1A C2 1_556 3.608(11) ? Er1A C2 1_456 3.608(11) ? Er1A Er1A 1_455 3.6097(4) ? Er1A Er1A 1_655 3.6097(4) ? Er1A Er2A 6 3.618(4) ? Er1A Er1B 1_655 3.6210(4) ? Er1A Er1B 1_455 3.6210(4) ? Er1A Er2B 6 3.725(3) ? Er1A C5A 1_455 3.78(2) ? Er1A C5A 2_655 3.78(2) ? Er1A Er3A 1_556 3.838(2) ? Er1A Er1A 2 4.209(3) ? Er1A Ru2 7_554 4.284(2) ? Er1B C4 . 2.521(11) ? Er1B C4 1_455 2.521(11) ? Er1B C1 . 2.563(10) ? Er1B C1 1_455 2.563(10) ? Er1B C3 1_455 2.598(10) ? Er1B C3 . 2.598(10) ? Er1B C5B . 2.74(2) ? Er1B Ru2 . 2.8385(14) ? Er1B Ru2 4 2.8385(14) ? Er1B Ru3 2 2.816(2) ? Er1B Ru3 . 2.816(2) ? Er1B C5A 2 2.87(2) ? Er1B C5A . 2.87(2) ? Er1B Ru2 4_655 2.8385(14) ? Er1B Ru2 1_455 2.8385(14) ? Er1B Ru1 4 2.952(2) ? Er1B Ru1 . 2.952(2) ? Er1B Ru3 1_455 3.115(2) ? Er1B Ru3 2_655 3.115(2) ? Er1B Ru1 1_455 3.266(2) ? Er1B Ru1 4_655 3.266(2) ? Er1B Er2A 6 3.366(3) ? Er1B Er2B 6 3.474(4) ? Er1B C2 1_556 3.491(11) ? Er1B C2 1_456 3.491(11) ? Er1B Er2B . 3.563(4) ? Er1B Er3B 1_556 3.591(2) ? Er1B Er2A . 3.604(4) ? Er1B Er1B 1_655 3.6097(4) ? Er1B Er1B 1_455 3.6097(4) ? Er1B Er1A 1_455 3.6210(4) ? Er1B Er1A 1_655 3.6210(4) ? Er1B Er3A 1_556 3.844(2) ? Er1B C5A 1_455 3.97(2) ? Er1B C5A 2_655 3.97(2) ? Er1B Er2B 1_556 4.096(4) ? Er1B Er2A 1_556 4.123(4) ? Er2A Er2B . 0.108(6) ? Er2A C4 6_654 2.543(12) ? Er2A C4 6_554 2.543(12) ? Er2A C3 . 2.545(10) ? Er2A C3 1_455 2.545(10) ? Er2A C2 1_455 2.663(9) ? Er2A C2 . 2.663(9) ? Er2A Ru2 4_554 2.910(3) ? Er2A Ru2 1_554 2.910(3) ? Er2A Ru2 7_554 2.961(3) ? Er2A Ru2 6_554 2.961(3) ? Er2A Ru1 4 2.925(3) ? Er2A Ru1 . 2.925(3) ? Er2A Ru2 1_454 2.910(3) ? Er2A Ru2 4_654 2.910(3) ? Er2A Ru2 6_654 2.961(3) ? Er2A Ru2 7_454 2.961(3) ? Er2A Ru1 1_455 3.242(3) ? Er2A Ru1 4_655 3.242(3) ? Er2A Er1B 6_554 3.366(3) ? Er2A C4 . 3.478(14) ? Er2A C4 1_455 3.478(14) ? Er2A C3 6_654 3.538(12) ? Er2A C3 6_554 3.538(12) ? Er2A C1 1_454 3.597(12) ? Er2A C1 1_554 3.597(12) ? Er2A Er2A 1_455 3.6097(4) ? Er2A Er2A 1_655 3.6097(4) ? Er2A Er2B 1_455 3.6113(4) ? Er2A Er2B 1_655 3.6113(4) ? Er2A Er1A 6_554 3.618(4) ? Er2A Er3A . 3.723(3) ? Er2A Er3B . 3.813(3) ? Er2A C5B . 4.11(2) ? Er2A Er1B 1_554 4.123(4) ? Er2A C5A 2 4.159(14) ? Er2B C3 . 2.530(10) ? Er2B C3 1_455 2.530(10) ? Er2B C2 1_455 2.598(9) ? Er2B C2 . 2.598(9) ? Er2B C4 6_654 2.615(12) ? Er2B C4 6_554 2.615(12) ? Er2B Ru1 4 2.841(3) ? Er2B Ru1 . 2.841(3) ? Er2B Ru2 4_554 2.922(3) ? Er2B Ru2 1_554 2.922(3) ? Er2B Ru2 1_454 2.922(3) ? Er2B Ru2 4_654 2.922(3) ? Er2B Ru2 7_554 3.029(3) ? Er2B Ru2 6_554 3.029(3) ? Er2B Ru2 6_654 3.029(3) ? Er2B Ru2 7_454 3.029(3) ? Er2B Ru1 1_455 3.166(3) ? Er2B Ru1 4_655 3.166(3) ? Er2B Er1B 6_554 3.474(4) ? Er2B C4 . 3.489(13) ? Er2B C4 1_455 3.489(13) ? Er2B C1 1_454 3.538(12) ? Er2B C1 1_554 3.538(12) ? Er2B Er2B 1_655 3.6097(4) ? Er2B Er2B 1_455 3.6097(4) ? Er2B C3 6_654 3.615(12) ? Er2B C3 6_554 3.615(12) ? Er2B Er2A 1_655 3.6113(4) ? Er2B Er2A 1_455 3.6113(4) ? Er2B Er3A . 3.620(3) ? Er2B Er3B . 3.712(3) ? Er2B Er1A 6_554 3.725(3) ? Er2B C5B . 4.01(2) ? Er2B C5A 2 4.064(14) ? Er2B C5A . 4.064(14) ? Er3A Er3B . 0.326(3) ? Er3A C2 . 2.632(9) ? Er3A C2 2 2.632(9) ? Er3A C2 2_655 2.632(9) ? Er3A C2 1_455 2.632(9) ? Er3A C1 2_554 2.756(11) ? Er3A C1 1_554 2.756(11) ? Er3A C1 1_454 2.756(11) ? Er3A C1 2_654 2.756(11) ? Er3A C5B . 2.81(4) ? Er3A Ru1 . 2.807(2) ? Er3A Ru1 3 2.807(2) ? Er3A Ru1 4 2.807(2) ? Er3A Ru1 2 2.807(2) ? Er3A C5A . 2.87(3) ? Er3A C5A 2 2.87(3) ? Er3A Ru1 4_655 3.136(2) ? Er3A Ru1 2_655 3.136(2) ? Er3A Ru1 3_455 3.136(2) ? Er3A Ru1 1_455 3.136(2) ? Er3A Ru3 2_554 3.297(3) ? Er3A Ru3 1_554 3.297(3) ? Er3A Ru3 1_454 3.555(2) ? Er3A Ru3 2_654 3.555(2) ? Er3A Er3A 1_655 3.6097(4) ? Er3A Er3A 1_455 3.6097(4) ? Er3A Er2B 2 3.620(3) ? Er3A Er3B 1_455 3.6244(5) ? Er3A Er3B 1_655 3.6244(5) ? Er3A Er2A 2 3.723(3) ? Er3A Er1A 2_554 3.838(2) ? Er3A Er1A 1_554 3.838(2) ? Er3A Er1B 2_554 3.844(2) ? Er3A Er1B 1_554 3.844(2) ? Er3A C5A 2_655 3.98(3) ? Er3A C5A 1_455 3.98(3) ? Er3B C1 2_554 2.603(10) ? Er3B C1 1_554 2.603(10) ? Er3B C1 1_454 2.603(10) ? Er3B C1 2_654 2.603(10) ? Er3B C2 . 2.641(9) ? Er3B C2 2 2.641(9) ? Er3B C2 2_655 2.641(9) ? Er3B C2 1_455 2.641(9) ? Er3B Ru3 2_554 3.014(2) ? Er3B Ru3 1_554 3.014(2) ? Er3B Ru1 . 3.039(2) ? Er3B Ru1 3 3.039(2) ? Er3B Ru1 4 3.039(2) ? Er3B Ru1 2 3.039(2) ? Er3B C5B . 3.14(4) ? Er3B C5A . 3.19(3) ? Er3B C5A 2 3.19(3) ? Er3B Ru3 1_454 3.295(2) ? Er3B Ru3 2_654 3.295(2) ? Er3B Ru1 4_655 3.345(2) ? Er3B Ru1 2_655 3.345(2) ? Er3B Ru1 1_455 3.345(2) ? Er3B Ru1 3_455 3.345(2) ? Er3B Er1A 2_554 3.571(2) ? Er3B Er1A 1_554 3.571(2) ? Er3B Er1B 2_554 3.591(2) ? Er3B Er1B 1_554 3.591(2) ? Er3B Er3B 1_655 3.6097(4) ? Er3B Er3B 1_455 3.6097(4) ? Er3B Er3A 1_655 3.6244(5) ? Er3B Er3A 1_455 3.6244(5) ? Er3B Er2B 2 3.712(3) ? Er3B Er2A 2 3.813(3) ? Er3B C5B 1_554 4.15(4) ? Er3B C5A 2_655 4.21(3) ? Ru1 Ru1 4_655 0.541(3) ? Ru1 C5A . 1.78(2) ? Ru1 C5A 2_655 2.08(2) ? Ru1 C3 . 2.087(13) ? Ru1 C2 . 2.100(13) ? Ru1 C5B . 2.24(2) ? Ru1 C5B 1_655 2.638(14) ? Ru1 Ru1 3 2.721(3) ? Ru1 Ru1 2_655 2.775(3) ? Ru1 C5A 2 2.80(3) ? Ru1 Ru3 . 2.818(2) ? Ru1 Ru3 2_655 2.865(2) ? Ru1 Ru1 4 3.068(3) ? Ru1 Er1A 1_655 3.088(2) ? Ru1 Er3A 1_655 3.136(2) ? Ru1 Er2B 1_655 3.166(3) ? Ru1 Er2A 1_655 3.242(3) ? Ru1 C5A 1_655 3.26(3) ? Ru1 Er1B 1_655 3.266(2) ? Ru1 C4 . 3.30(2) ? Ru1 Er3B 1_655 3.345(2) ? Ru1 C1 1_554 3.356(14) ? Ru2 Ru2 4_655 0.000(3) ? Ru2 C4 . 2.09(2) ? Ru2 C4 6_655 2.16(2) ? Ru2 C3 6_655 2.261(13) ? Ru2 C1 . 2.269(14) ? Ru2 C2 1_556 2.290(12) ? Ru2 Er2A 1_556 2.910(3) ? Ru2 Er2B 1_556 2.922(3) ? Ru2 Er1B 1_655 2.8385(14) ? Ru2 Er2A 6 2.961(3) ? Ru2 Er2A 1_656 2.910(3) ? Ru2 Er2B 1_656 2.922(3) ? Ru2 Er2B 6 3.029(3) ? Ru2 Er2A 6_655 2.961(3) ? Ru2 Er2B 6_655 3.029(3) ? Ru2 Er1A 1_655 3.058(2) ? Ru2 C3 . 3.284(14) ? Ru2 Ru2 4 3.6097(4) ? Ru2 Ru2 1_655 3.6097(4) ? Ru2 Ru2 1_455 3.6097(4) ? Ru2 Ru2 7 4.0376(11) ? Ru2 Ru2 7_554 4.0376(11) ? Ru2 Ru2 6_655 4.0376(11) ? Ru2 Ru2 6_654 4.0376(11) ? Ru2 C3 1_556 4.071(14) ? Ru2 Ru3 . 4.0822(14) ? Ru3 Ru3 2_655 0.491(3) ? Ru3 C5A . 1.80(3) ? Ru3 C5A 2_655 2.07(3) ? Ru3 C1 . 2.135(14) ? Ru3 C1 2_655 2.135(14) ? Ru3 C5B . 2.22(3) ? Ru3 C5B 1_655 2.58(2) ? Ru3 Er1A 2 2.637(2) ? Ru3 Er1B 2 2.816(2) ? Ru3 Ru1 3 2.818(2) ? Ru3 C5A 2 2.83(3) ? Ru3 Ru1 2_655 2.865(2) ? Ru3 Ru1 4_655 2.865(2) ? Ru3 Er1A 1_655 2.954(2) ? Ru3 Er1A 2_655 2.954(2) ? Ru3 Er3B 1_556 3.014(2) ? Ru3 Er1B 1_655 3.115(2) ? Ru3 Er1B 2_655 3.115(2) ? Ru3 Ru3 2 3.119(3) ? Ru3 C5A 1_655 3.24(3) ? Ru3 Er3B 1_656 3.295(2) ? Ru3 Er3A 1_556 3.297(3) ? Ru3 C2 1_556 3.411(12) ? Ru3 C2 2_656 3.411(12) ? Ru3 Er3A 1_656 3.555(2) ? C1 C2 1_556 1.39(2) ? C1 Ru3 2_655 2.135(14) ? C1 Ru2 4_655 2.269(14) ? C1 Er1B 1_655 2.563(10) ? C1 Er3B 1_556 2.603(10) ? C1 Er3B 1_656 2.603(10) ? C1 Er1A 1_655 2.605(10) ? C1 Er3A 1_556 2.756(11) ? C1 Er3A 1_656 2.756(11) ? C1 C1 2_655 3.04(3) ? C1 C4 . 3.26(2) ? C1 Ru1 4_656 3.356(14) ? C1 Ru1 1_556 3.356(14) ? C1 Er2B 1_656 3.538(12) ? C1 Er2B 1_556 3.538(12) ? C1 Er2A 1_656 3.597(12) ? C2 C1 1_554 1.39(2) ? C2 Ru1 4_655 2.100(13) ? C2 Ru2 4_654 2.290(12) ? C2 Ru2 1_554 2.290(12) ? C2 Er2B 1_655 2.598(9) ? C2 Er3A 1_655 2.632(9) ? C2 Er3B 1_655 2.641(9) ? C2 Er2A 1_655 2.663(9) ? C2 C3 . 3.06(2) ? C2 C4 6_654 3.36(2) ? C2 Ru3 1_554 3.411(12) ? C2 Ru3 2_654 3.411(12) ? C2 Er1B 1_554 3.491(11) ? C2 Er1B 1_654 3.491(11) ? C2 C5A 2_655 3.60(3) ? C3 C4 . 1.39(2) ? C3 Ru1 4_655 2.087(13) ? C3 Ru2 6_654 2.261(13) ? C3 Ru2 7_554 2.261(13) ? C3 Er2B 1_655 2.530(10) ? C3 Er2A 1_655 2.545(10) ? C3 Er1B 1_655 2.598(10) ? C3 Er1A 1_655 2.602(10) ? C3 C4 6_654 3.16(2) ? C3 Ru2 4_655 3.284(14) ? C3 C5A . 3.47(2) ? C3 C5A 2_655 3.47(2) ? C3 Er2A 6_655 3.538(12) ? C4 Ru2 4_655 2.09(2) ? C4 Ru2 7_554 2.16(2) ? C4 Ru2 6_654 2.16(2) ? C4 Er1B 1_655 2.521(11) ? C4 Er2A 6_655 2.543(12) ? C4 Er2A 6 2.543(12) ? C4 Er2B 6_655 2.615(12) ? C4 Er2B 6 2.615(12) ? C4 Er1A 1_655 2.665(12) ? C4 C3 6_655 3.16(2) ? C4 Ru1 4_655 3.30(2) ? C4 C2 6_655 3.36(2) ? C4 Er2A 1_655 3.478(14) ? C5A C5B . 0.76(3) ? C5A C5A 2 1.52(6) ? C5A Ru1 3 1.78(2) ? C5A Ru3 2_655 2.07(3) ? C5A Ru1 4_655 2.08(2) ? C5A Ru1 2_655 2.08(2) ? C5A C5A 2_655 2.09(6) ? C5A Er1A 2 2.59(2) ? C5A Ru1 2 2.80(2) ? C5A Ru1 4 2.80(2) ? C5A Ru3 2 2.83(3) ? C5A C5B 1_655 2.85(3) ? C5A Er1B 2 2.87(2) ? C5A Ru3 1_455 3.24(3) ? C5B C5A 2 0.76(3) ? C5B Ru3 2 2.22(3) ? C5B Ru1 2 2.24(2) ? C5B Ru1 4 2.24(2) ? C5B Ru1 3 2.24(2) ? C5B Er1A 2 2.46(2) ? C5B Ru3 2_655 2.58(2) ? C5B Ru3 1_455 2.58(2) ? C5B Ru1 3_455 2.638(14) ? C5B Ru1 4_655 2.638(14) ? C5B Ru1 1_455 2.638(14) ? C5B Ru1 2_655 2.638(14) ? C5B Er1B 2 2.74(2) ? C5B C5A 2_655 2.85(3) ?