#------------------------------------------------------------------------------ #$Date: 2018-05-15 18:58:00 +0300 (Tue, 15 May 2018) $ #$Revision: 207789 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/94/1549412.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_1549412 loop_ _publ_author_name 'Yang, Annabeth P.' 'LaDuca, Robert L.' _publ_contact_author 'LaDuca, Robert L.' _publ_section_title ; Poly[diaquabis(\m-hydrogen benzene-1,2,4-tricarboxylato)copper(II)disodium]: a novel 4,5,6-connected trinodal net ; _journal_coeditor_code LH4034 _journal_issue 5 _journal_name_full IUCrData _journal_page_first x180676 _journal_paper_doi 10.1107/S2414314618006764 _journal_volume 3 _journal_year 2018 _chemical_formula_iupac '[Cu Na2 (C9 H4 O6)2 (H2 O)4]' _chemical_formula_moiety 'C18 H16 Cu Na2 O16' _chemical_formula_sum 'C18 H16 Cu Na2 O16' _chemical_formula_weight 597.83 _chemical_name_systematic ; Poly[diaquabis(\m-hydrogen benzene-1,2,4-tricarboxylato)copper(II)disodium] ; _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary difmap _audit_creation_method ; Olex2 1.2 (compiled 2017.03.02 svn.r3394 for OlexSys, GUI svn.r5324) ; _cell_angle_alpha 105.071(2) _cell_angle_beta 93.073(2) _cell_angle_gamma 109.955(2) _cell_formula_units_Z 1 _cell_length_a 6.9048(9) _cell_length_b 7.0555(9) _cell_length_c 11.8449(15) _cell_measurement_reflns_used 2453 _cell_measurement_temperature 173(2) _cell_measurement_theta_max 25.38 _cell_measurement_theta_min 3.18 _cell_volume 517.26(12) _computing_cell_refinement ; SAINT (Bruker, 2013) ; _computing_data_collection ; COSMO (Bruker, 2009) ; _computing_data_reduction ; SAINT (Bruker, 2013) ; _computing_molecular_graphics ; Crystal Maker (Palmer, 2018) ; _computing_publication_material ; OLEX2 (Dolomanov et al., 2009) ; _computing_structure_refinement ; SHELXL2014 (Sheldrick, 2015b) within OLEX2 (Dolomanov et al., 2009) ; _computing_structure_solution ; SHELXT (Sheldrick, 2015a) ; _diffrn_ambient_temperature 173(2) _diffrn_detector_area_resol_mean 7.9 _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device 'three-circle diffractometer' _diffrn_measurement_device_type 'Bruker SMART CCD 1K area detector' _diffrn_measurement_method \w _diffrn_radiation_monochromator graphite _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0311 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 4640 _diffrn_reflns_theta_full 25.39 _diffrn_reflns_theta_max 25.39 _diffrn_reflns_theta_min 1.80 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.189 _exptl_absorpt_correction_T_max 0.7452 _exptl_absorpt_correction_T_min 0.6587 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Bruker, 2015) ; _exptl_crystal_colour blue _exptl_crystal_density_diffrn 1.913 _exptl_crystal_density_method 'not measured' _exptl_crystal_description needle _exptl_crystal_F_000 301 _exptl_crystal_size_max 0.263 _exptl_crystal_size_mid 0.078 _exptl_crystal_size_min 0.026 _refine_diff_density_max 0.481 _refine_diff_density_min -0.353 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.073 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 199 _refine_ls_number_reflns 1906 _refine_ls_number_restraints 3 _refine_ls_restrained_S_all 1.074 _refine_ls_R_factor_all 0.0493 _refine_ls_R_factor_gt 0.0395 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0511P)^2^+0.2450P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0929 _refine_ls_wR_factor_ref 0.0990 _reflns_number_gt 1606 _reflns_number_total 1906 _reflns_threshold_expression >2sigma(I) _iucr_refine_instructions_details ; TITL nacu124btc_a.res in P-1 REM Old TITL NaCu124btc in P-1 REM SHELXT solution in P-1 REM R1 0.082, Rweak 0.007, Alpha 0.050, Orientation as input REM Formula found by SHELXT: C18 O16 Na2 Cu CELL 0.71073 6.9048 7.0555 11.8449 105.071 93.073 109.955 ZERR 1 0.0009 0.0009 0.0015 0.002 0.002 0.002 LATT 1 SFAC C H Cu Na O UNIT 18 14 1 2 16 EQIV $1 -X,1-Y,1-Z EQIV $2 1-X,2-Y,1-Z EQIV $3 1-X,1-Y,1-Z EQIV $4 2-X,2-Y,1-Z EQIV $5 +X,+Y,1+Z DFIX 0.85 O8 H8b DFIX 0.85 O8 H8a DANG 1.3 H8a H8b L.S. 16 PLAN 4 SIZE 0.026 0.078 0.263 TEMP -100(2) HTAB O6 O7 HTAB O7 O1_$1 HTAB O7 O4_$2 HTAB O7 O3_$3 HTAB O8 O4_$4 HTAB O8 O2_$5 HTAB C4 O5 HTAB C6 O1 HTAB C6 O6 BOND $H CONF fmap 2 acta REM REM REM WGHT 0.051100 0.245000 FVAR 0.78271 CU1 3 0.000000 0.500000 0.000000 10.50000 0.01632 0.02189 = 0.01477 0.00651 0.00442 0.00743 NA1 4 0.389303 0.836006 0.876617 11.00000 0.02067 0.02730 = 0.01960 0.00382 0.00471 0.00285 O1 5 0.201857 0.515522 0.126306 11.00000 0.01448 0.02633 = 0.01326 0.00831 0.00009 0.00321 O2 5 0.475776 0.763129 0.090544 11.00000 0.02713 0.02850 = 0.02047 0.01310 0.00164 0.00197 O3 5 0.810866 0.515539 0.117667 11.00000 0.01798 0.02110 = 0.01406 0.00450 0.00448 0.00605 O4 5 0.973003 0.861581 0.169535 11.00000 0.03249 0.02253 = 0.04556 0.01485 0.02661 0.00853 O5 5 0.496642 0.790800 0.686048 11.00000 0.02210 0.03418 = 0.01593 0.00672 0.00311 0.00836 O6 5 0.207160 0.713247 0.560237 11.00000 0.02137 0.03921 = 0.01612 0.00946 0.00800 0.01440 H6 2 0.166549 0.721689 0.613667 11.00000 0.03858 O7 5 0.050280 0.754381 0.757066 11.00000 0.02409 0.02108 = 0.02461 0.00921 0.01039 0.00964 H7A 2 0.031750 0.846464 0.770380 11.00000 0.02070 H7B 2 -0.036489 0.673220 0.782987 11.00000 0.03805 O8 5 0.741766 0.975181 0.964917 11.00000 0.02555 0.03497 = 0.02802 0.01809 0.01139 0.01516 C1 1 0.508410 0.681528 0.269660 11.00000 0.01786 0.01268 = 0.01366 0.00520 0.00313 0.00602 C2 1 0.721650 0.716721 0.284411 11.00000 0.01730 0.01304 = 0.02078 0.00863 0.00637 0.00539 C3 1 0.827983 0.761602 0.396861 11.00000 0.01323 0.02179 = 0.02209 0.00719 0.00223 0.00675 H3 2 0.965089 0.780135 0.411236 11.00000 0.02014 C4 1 0.726820 0.772403 0.494239 11.00000 0.01928 0.01862 = 0.01660 0.00470 -0.00076 0.00412 H4 2 0.805694 0.811482 0.573969 11.00000 0.02718 C5 1 0.515029 0.738313 0.480248 11.00000 0.02025 0.01336 = 0.01586 0.00567 0.00387 0.00471 C6 1 0.407628 0.691654 0.367823 11.00000 0.01690 0.01504 = 0.01786 0.00396 0.00258 0.00529 H6A 2 0.258982 0.666991 0.357928 11.00000 0.01062 C7 1 0.390556 0.652272 0.150957 11.00000 0.01903 0.02042 = 0.01623 0.00683 0.00744 0.01141 C8 1 0.843181 0.699965 0.181766 11.00000 0.01380 0.02073 = 0.01789 0.00812 0.00175 0.00725 C9 1 0.407489 0.750105 0.586116 11.00000 0.02241 0.01559 = 0.01769 0.00546 0.00640 0.00624 H8A 2 0.836233 1.037846 0.930760 11.00000 -1.50000 H8B 2 0.769899 0.877104 0.973486 11.00000 -1.50000 HKLF 4 REM nacu124btc_a.res in P-1 REM R1 = 0.0395 for 1606 Fo > 4sig(Fo) and 0.0493 for all 1906 data REM 199 parameters refined using 3 restraints END WGHT 0.0512 0.2456 REM Highest difference peak 0.481, deepest hole -0.353, 1-sigma level 0.092 Q1 1 0.6345 0.7325 0.2759 11.00000 0.05 0.48 Q2 1 0.0821 0.5513 0.1012 11.00000 0.05 0.44 Q3 1 0.7770 0.7176 0.2296 11.00000 0.05 0.39 Q4 1 0.5991 0.7249 0.4804 11.00000 0.05 0.38 REM The information below was added by Olex2. REM REM R1 = 0.0395 for 1606 Fo > 4sig(Fo) and 0.0493 for all 4640 data REM n/a parameters refined using n/a restraints REM Highest difference peak 0.48, deepest hole -0.35 REM Mean Shift 0, Max Shift 0.000. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0493 REM R1_gt = 0.0395 REM wR_ref = 0.0990 REM GOOF = 1.073 REM Shift_max = 0.000 REM Shift_mean = 0 REM Reflections_all = 4640 REM Reflections_gt = 1606 REM Parameters = n/a REM Hole = -0.35 REM Peak = 0.48 REM Flack = n/a ; _cod_data_source_file lh4034sup1.cif _cod_data_source_block I _cod_original_cell_volume 517.26(11) _cod_database_code 1549412 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 'x, y, z' 2 '-x, -y, -z' 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_adp_type _atom_site_calc_flag _atom_site_occupancy Cu Cu1 0.0000 0.5000 0.0000 0.01725(19) Uani d 1 Na Na1 0.38930(19) 0.8360(2) 0.87662(11) 0.0247(3) Uani d 1 O O1 0.2019(3) 0.5155(3) 0.12631(18) 0.0188(5) Uani d 1 O O2 0.4758(4) 0.7631(4) 0.09054(19) 0.0265(6) Uani d 1 O O3 0.8109(3) 0.5155(3) 0.11767(18) 0.0181(5) Uani d 1 O O4 0.9730(4) 0.8616(4) 0.1695(2) 0.0322(6) Uani d 1 O O5 0.4966(4) 0.7908(4) 0.68605(19) 0.0248(6) Uani d 1 O O6 0.2072(4) 0.7132(4) 0.5602(2) 0.0242(6) Uani d 1 H H6 0.167(7) 0.722(7) 0.614(4) 0.039(13) Uiso d 1 O O7 0.0503(4) 0.7544(5) 0.7571(2) 0.0221(6) Uani d 1 H H7A 0.032(6) 0.846(6) 0.770(3) 0.021(12) Uiso d 1 H H7B -0.036(7) 0.673(7) 0.783(4) 0.038(12) Uiso d 1 O O8 0.7418(4) 0.9752(4) 0.9649(2) 0.0264(6) Uani d 1 H H8A 0.836(5) 1.038(5) 0.931(3) 0.028 Uiso d 1 H H8B 0.770(5) 0.877(4) 0.973(3) 0.028 Uiso d 1 C C1 0.5084(5) 0.6815(5) 0.2697(3) 0.0143(6) Uani d 1 C C2 0.7216(5) 0.7167(5) 0.2844(3) 0.0162(7) Uani d 1 C C3 0.8280(5) 0.7616(5) 0.3969(3) 0.0188(7) Uani d 1 H H3 0.965(6) 0.780(5) 0.411(3) 0.020(9) Uiso d 1 C C4 0.7268(5) 0.7724(5) 0.4942(3) 0.0192(7) Uani d 1 H H4 0.806(5) 0.811(5) 0.574(3) 0.027(10) Uiso d 1 C C5 0.5150(5) 0.7383(5) 0.4802(3) 0.0166(7) Uani d 1 C C6 0.4076(5) 0.6917(5) 0.3678(3) 0.0170(7) Uani d 1 H H6A 0.259(5) 0.667(5) 0.358(2) 0.011(8) Uiso d 1 C C7 0.3906(5) 0.6523(5) 0.1510(3) 0.0170(7) Uani d 1 C C8 0.8432(5) 0.7000(5) 0.1818(3) 0.0168(7) Uani d 1 C C9 0.4075(5) 0.7501(5) 0.5861(3) 0.0185(7) Uani d 1 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 Cu1 0.0163(3) 0.0219(3) 0.0148(3) 0.0074(2) 0.0044(2) 0.0065(2) Na1 0.0207(7) 0.0273(8) 0.0196(7) 0.0028(6) 0.0047(6) 0.0038(6) O1 0.0145(12) 0.0263(13) 0.0133(11) 0.0032(10) 0.0001(9) 0.0083(9) O2 0.0271(14) 0.0285(14) 0.0205(12) 0.0020(11) 0.0016(10) 0.0131(11) O3 0.0180(12) 0.0211(13) 0.0141(11) 0.0060(10) 0.0045(9) 0.0045(9) O4 0.0325(15) 0.0225(13) 0.0456(16) 0.0085(12) 0.0266(12) 0.0148(11) O5 0.0221(13) 0.0342(14) 0.0159(13) 0.0084(11) 0.0031(10) 0.0067(10) O6 0.0214(14) 0.0392(15) 0.0161(13) 0.0144(12) 0.0080(11) 0.0095(11) O7 0.0241(14) 0.0211(14) 0.0246(14) 0.0096(12) 0.0104(11) 0.0092(11) O8 0.0256(14) 0.0350(16) 0.0280(13) 0.0152(12) 0.0114(11) 0.0181(12) C1 0.0179(16) 0.0127(15) 0.0137(15) 0.0060(13) 0.0031(12) 0.0052(12) C2 0.0173(16) 0.0130(16) 0.0208(17) 0.0054(13) 0.0064(13) 0.0086(13) C3 0.0132(17) 0.0218(18) 0.0221(17) 0.0067(14) 0.0022(13) 0.0072(14) C4 0.0193(18) 0.0186(17) 0.0166(17) 0.0041(14) -0.0008(14) 0.0047(14) C5 0.0202(17) 0.0134(16) 0.0159(16) 0.0047(13) 0.0039(13) 0.0057(13) C6 0.0169(17) 0.0150(16) 0.0179(17) 0.0053(13) 0.0026(13) 0.0040(13) C7 0.0190(18) 0.0204(17) 0.0162(16) 0.0114(14) 0.0074(13) 0.0068(13) C8 0.0138(16) 0.0207(18) 0.0179(16) 0.0072(14) 0.0017(13) 0.0081(14) C9 0.0224(18) 0.0156(16) 0.0177(17) 0.0062(14) 0.0064(14) 0.0055(13) 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' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag O1 Cu1 O1 . 2_565 180.0 y O1 Cu1 O3 2_565 2_665 87.13(9) y O1 Cu1 O3 2_565 1_455 92.88(9) y O1 Cu1 O3 . 2_665 92.87(9) y O1 Cu1 O3 . 1_455 87.13(9) y O3 Cu1 O3 2_665 1_455 180.00(14) y O3 Na1 O2 2_666 2_676 162.81(9) y O3 Na1 O7 2_666 . 77.27(10) y O5 Na1 O2 . 2_676 89.20(8) y O5 Na1 O3 . 2_666 105.37(9) y O5 Na1 O7 . . 81.70(9) y O5 Na1 O8 . 2_677 150.41(10) y O7 Na1 O2 . 2_676 96.31(10) y O8 Na1 O2 2_677 2_676 66.08(9) y O8 Na1 O2 . 2_676 72.51(9) y O8 Na1 O3 . 2_666 115.87(9) y O8 Na1 O3 2_677 2_666 97.25(9) y O8 Na1 O5 . . 89.37(9) y O8 Na1 O7 . . 165.87(11) y O8 Na1 O7 2_677 . 85.02(9) y O8 Na1 O8 . 2_677 97.79(8) y C7 O1 Cu1 . . 122.27(19) ? Na1 O2 Na1 2_676 1_554 71.48(7) ? C7 O2 Na1 . 2_676 132.9(2) ? C7 O2 Na1 . 1_554 139.5(2) ? Cu1 O3 Na1 1_655 2_666 109.41(9) ? C8 O3 Cu1 . 1_655 114.38(19) ? C8 O3 Na1 . 2_666 135.22(19) ? C9 O5 Na1 . . 133.8(2) ? C9 O6 H6 . . 107(4) ? Na1 O7 H7A . . 106(3) ? Na1 O7 H7B . . 106(3) ? H7A O7 H7B . . 107(4) ? Na1 O8 Na1 . 2_677 82.21(8) ? Na1 O8 H8A 2_677 . 122(2) ? Na1 O8 H8A . . 121(3) ? Na1 O8 H8B . . 107(3) ? Na1 O8 H8B 2_677 . 118(3) ? H8A O8 H8B . . 105(3) ? C2 C1 C7 . . 121.4(3) ? C6 C1 C2 . . 119.1(3) ? C6 C1 C7 . . 119.3(3) ? C1 C2 C8 . . 122.9(3) ? C3 C2 C1 . . 119.5(3) ? C3 C2 C8 . . 117.5(3) ? C2 C3 H3 . . 123(2) ? C4 C3 C2 . . 121.0(3) ? C4 C3 H3 . . 116(2) ? C3 C4 H4 . . 120(2) ? C3 C4 C5 . . 119.8(3) ? C5 C4 H4 . . 120(2) ? C4 C5 C9 . . 119.2(3) ? C6 C5 C4 . . 119.4(3) ? C6 C5 C9 . . 121.3(3) ? C1 C6 C5 . . 121.1(3) ? C1 C6 H6A . . 119.4(17) ? C5 C6 H6A . . 119.5(17) ? O1 C7 C1 . . 115.1(3) ? O2 C7 O1 . . 126.2(3) ? O2 C7 C1 . . 118.6(3) ? O3 C8 C2 . . 116.0(3) ? O4 C8 O3 . . 124.3(3) ? O4 C8 C2 . . 119.6(3) ? O5 C9 O6 . . 123.9(3) ? O5 C9 C5 . . 123.1(3) ? O6 C9 C5 . . 113.0(3) ? 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 Cu1 O1 . 1.944(2) y Cu1 O1 2_565 1.944(2) y Cu1 O3 1_455 1.9681(19) y Cu1 O3 2_665 1.9681(19) y Na1 O2 2_676 2.571(3) y Na1 O3 2_666 2.413(3) y Na1 O5 . 2.390(2) y Na1 O7 . 2.473(3) y Na1 O8 . 2.354(3) y Na1 O8 2_677 2.413(3) y O1 C7 . 1.292(4) ? O2 Na1 1_554 2.787(3) ? O2 Na1 2_676 2.571(3) ? O2 C7 . 1.222(4) ? O3 Cu1 1_655 1.9681(19) ? O3 Na1 2_666 2.413(3) ? O3 C8 . 1.261(4) ? O4 C8 . 1.236(4) ? O5 C9 . 1.219(4) ? O6 H6 . 0.70(4) ? O6 C9 . 1.320(4) ? O7 H7A . 0.68(4) ? O7 H7B . 0.81(5) ? O8 Na1 2_677 2.413(3) ? O8 H8A . 0.842(18) ? O8 H8B . 0.808(18) ? C1 C2 . 1.400(4) ? C1 C6 . 1.385(4) ? C1 C7 . 1.514(4) ? C2 C3 . 1.389(4) ? C2 C8 . 1.516(4) ? C3 H3 . 0.91(4) ? C3 C4 . 1.379(4) ? C4 H4 . 0.99(4) ? C4 C5 . 1.392(4) ? C5 C6 . 1.390(4) ? C5 C9 . 1.489(4) ? C6 H6A . 0.98(3) ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag O6 H6 O7 . 0.70(4) 1.91(4) 2.613(3) 177(5) y O7 H7A O4 2_676 0.68(4) 2.01(4) 2.685(4) 169(4) y O7 H7B O1 2_566 0.81(5) 2.02(5) 2.816(4) 168(4) y O8 H8A O4 2_776 0.842(18) 1.902(19) 2.736(3) 170(4) y O8 H8B O2 1_556 0.808(18) 2.54(3) 2.720(3) 94(3) y 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_site_symmetry_1 _geom_torsion_site_symmetry_4 _geom_torsion Cu1 Na1 O5 C9 1_556 . 59.0(3) Cu1 Na1 O8 Na1 1_556 2_677 -66.87(8) Cu1 O1 C7 O2 . . -12.0(4) Cu1 O1 C7 C1 . . 164.65(18) Cu1 O3 C8 O4 1_655 . 4.1(4) Cu1 O3 C8 C2 1_655 . -171.8(2) Na1 Cu1 O1 C7 1_554 . 12.9(2) Na1 Cu1 O1 C7 2_566 . -167.1(2) Na1 Na1 O5 C9 2_677 . -138.8(3) Na1 O2 C7 O1 2_676 . 114.2(3) Na1 O2 C7 O1 1_554 . -0.6(5) Na1 O2 C7 C1 2_676 . -62.4(4) Na1 O2 C7 C1 1_554 . -177.12(19) Na1 O3 C8 O4 2_666 . 171.2(2) Na1 O3 C8 C2 2_666 . -4.7(4) Na1 O5 C9 O6 . . -2.0(5) Na1 O5 C9 C5 . . 177.6(2) O1 Cu1 O1 C7 2_565 . 23(9) O2 Na1 O5 C9 1_556 . 146.4(3) O2 Na1 O5 C9 2_676 . -95.6(3) O2 Na1 O8 Na1 2_676 2_677 61.83(8) O2 Na1 O8 Na1 1_556 2_677 -60.30(8) O3 Cu1 O1 C7 2_665 . 52.4(2) O3 Cu1 O1 C7 1_455 . -127.6(2) O3 Na1 O5 C9 2_666 . 75.2(3) O3 Na1 O8 Na1 2_666 2_677 -102.00(10) O5 Na1 O8 Na1 . 2_677 151.19(10) O7 Na1 O5 C9 . . 0.9(3) O7 Na1 O8 Na1 . 2_677 100.6(4) O8 Na1 O5 C9 . . -168.1(3) O8 Na1 O5 C9 2_677 . -63.3(4) O8 Na1 O8 Na1 2_677 2_677 0.0 C1 C2 C3 C4 . . -0.1(5) C1 C2 C8 O3 . . -74.2(4) C1 C2 C8 O4 . . 109.7(4) C2 C1 C6 C5 . . 0.7(5) C2 C1 C7 O1 . . 143.0(3) C2 C1 C7 O2 . . -40.1(4) C2 C3 C4 C5 . . -0.1(5) C3 C2 C8 O3 . . 103.4(3) C3 C2 C8 O4 . . -72.7(4) C3 C4 C5 C6 . . 0.6(5) C3 C4 C5 C9 . . 179.9(3) C4 C5 C6 C1 . . -1.0(5) C4 C5 C9 O5 . . 0.8(5) C4 C5 C9 O6 . . -179.6(3) C6 C1 C2 C3 . . -0.2(4) C6 C1 C2 C8 . . 177.4(3) C6 C1 C7 O1 . . -42.6(4) C6 C1 C7 O2 . . 134.3(3) C6 C5 C9 O5 . . -179.9(3) C6 C5 C9 O6 . . -0.3(4) C7 C1 C2 C3 . . 174.2(3) C7 C1 C2 C8 . . -8.2(4) C7 C1 C6 C5 . . -173.8(3) C8 C2 C3 C4 . . -177.8(3) C9 C5 C6 C1 . . 179.8(3) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas 1 0 0 41.1 1 0 0 51.29 -2 0 0 584.64 2 0 0 592.14 2 0 0 567.74 -3 0 0 110.49 3 0 0 108.79 3 0 0 104.39 -4 0 0 1040 -4 0 0 1075.39 4 0 0 1046.5 4 0 0 1043.2 -5 0 0 701.03 5 0 0 711.63 -6 0 0 145.39 6 0 0 143.19 -7 0 0 8.6 7 0 0 13.2 8 -1 0 -1.2 -8 1 0 -0.2 7 -1 0 5.4 -7 1 0 7 6 -1 0 744.03 -6 1 0 797.72 5 -1 0 504.25 5 -1 0 482.95 -5 1 0 510.55 4 -1 0 3.6 4 -1 0 -1.5 -4 1 0 0.8 3 -1 0 665.23 -3 1 0 696.13 2 -1 0 601.24 2 -1 0 623.24 -2 1 0 607.84 1 -1 0 654.23 1 -1 0 654.43 0 -1 0 914.61 0 -1 0 898.31 -1 -1 0 305.87 -1 -1 0 307.97 1 1 0 301.77 -2 -1 0 846.92 -2 -1 0 878.11 2 1 0 862.01 -3 -1 0 890.51 -3 -1 0 870.21 3 1 0 904.31 -4 -1 0 331.67 4 1 0 368.66 -5 -1 0 157.78 5 1 0 157.88 -6 -1 0 2.1 6 1 0 6.5 -7 -1 0 57.59 7 1 0 116.39 8 -2 0 5.1 -8 2 0 5.4 7 -2 0 70.69 -7 2 0 56.49 6 -2 0 109.99 6 -2 0 100.59 -6 2 0 100.49 5 -2 0 571.24 5 -2 0 565.14 -5 2 0 587.24 4 -2 0 107.59 4 -2 0 102.39 -4 2 0 100.69 3 -2 0 312.37 3 -2 0 321.07 -3 2 0 309.17 2 -2 0 338.17 2 -2 0 317.17 2 -2 0 298.97 -2 2 0 321.97 1 -2 0 3603.24 1 -2 0 3582.74 1 -2 0 3635.84 0 -2 0 2571.14 0 -2 0 2546.85 -1 -2 0 1766.22 -1 -2 0 1793.32 -1 -2 0 1729.43 1 2 0 1729.03 -2 -2 0 403.56 -2 -2 0 396.16 -2 -2 0 412.36 2 2 0 396.26 -3 -2 0 495.25 -3 -2 0 508.55 3 2 0 514.75 -4 -2 0 35.3 4 2 0 35.3 -5 -2 0 80.39 5 2 0 66.89 -6 -2 0 7.2 8 -3 0 27.2 -8 3 0 14.3 7 -3 0 4.9 7 -3 0 4.5 -7 3 0 5.6 6 -3 0 55.49 6 -3 0 51.79 -6 3 0 33.6 5 -3 0 111.39 5 -3 0 107.39 -5 3 0 142.49 4 -3 0 145.59 4 -3 0 147.69 -4 3 0 147.29 3 -3 0 12.2 3 -3 0 5 3 -3 0 7.9 -3 3 0 5.1 2 -3 0 683.23 2 -3 0 699.33 2 -3 0 654.73 1 -3 0 633.54 1 -3 0 605.54 1 -3 0 629.34 1 -3 0 613.64 0 -3 0 745.73 0 -3 0 657.13 0 -3 0 679.33 -1 -3 0 384.86 -1 -3 0 363.56 -1 -3 0 385.26 1 3 0 395.46 -2 -3 0 237.18 -2 -3 0 256.87 -2 -3 0 271.07 2 3 0 249.38 -3 -3 0 398.06 -3 -3 0 396.16 -4 -3 0 53.39 -4 -3 0 40.6 -5 -3 0 396.96 -5 -3 0 324.37 -6 -3 0 165.78 -6 -3 0 190.88 8 -4 0 5.2 -8 4 0 6.5 7 -4 0 14 7 -4 0 11.6 -7 4 0 13.8 6 -4 0 54.39 6 -4 0 70.19 -6 4 0 66.29 5 -4 0 60.19 5 -4 0 75.79 -5 4 0 70.29 4 -4 0 933.11 4 -4 0 924.61 4 -4 0 987.5 -4 4 0 940.81 3 -4 0 94.29 3 -4 0 90.49 3 -4 0 94.69 2 -4 0 10 2 -4 0 12 2 -4 0 10.7 1 -4 0 192.58 1 -4 0 183.68 1 -4 0 190.38 0 -4 0 1972.5 0 -4 0 2045.2 0 -4 0 1996.1 -1 -4 0 30.5 -1 -4 0 47.7 -1 -4 0 33.6 -2 -4 0 21 -2 -4 0 30.7 -3 -4 0 56.29 -3 -4 0 39.1 -4 -4 0 238.58 -4 -4 0 248.28 -5 -4 0 15.2 -5 -4 0 10.1 8 -5 0 12.8 8 -5 0 5 -8 5 0 -2.2 7 -5 0 209.48 7 -5 0 215.68 -7 5 0 188.58 6 -5 0 201.28 6 -5 0 218.18 -6 5 0 202.08 5 -5 0 647.14 5 -5 0 583.34 5 -5 0 621.74 -5 5 0 647.94 4 -5 0 207.28 4 -5 0 212.48 4 -5 0 186.58 -4 5 0 210.98 3 -5 0 62.29 3 -5 0 66.09 3 -5 0 50.89 2 -5 0 197.38 2 -5 0 178.88 1 -5 0 55.89 1 -5 0 67.99 1 -5 0 69.19 0 -5 0 354.66 0 -5 0 345.47 0 -5 0 319.67 -1 -5 0 461.65 -1 -5 0 443.16 -2 -5 0 6.7 -2 -5 0 14.1 -3 -5 0 1.7 -3 -5 0 1.7 -4 -5 0 10.3 -4 -5 0 8.6 7 -6 0 0.7 7 -6 0 0.8 -7 6 0 -2.5 6 -6 0 110.59 6 -6 0 83.29 -6 6 0 72.09 5 -6 0 356.06 5 -6 0 274.57 -5 6 0 361.66 4 -6 0 -0.3 4 -6 0 -0.5 -4 6 0 0.4 3 -6 0 26.4 3 -6 0 23.1 2 -6 0 9.3 2 -6 0 0.9 1 -6 0 66.19 1 -6 0 60.79 1 -6 0 76.29 0 -6 0 142.39 0 -6 0 150.48 -1 -6 0 15.2 -1 -6 0 0 -2 -6 0 35 -2 -6 0 13.1 -3 -6 0 61.49 -3 -6 0 50.09 6 -7 0 89.29 6 -7 0 88.59 -6 7 0 84.59 5 -7 0 1.2 5 -7 0 -0.2 -5 7 0 -2.7 4 -7 0 16 4 -7 0 18 3 -7 0 20.1 3 -7 0 16.9 2 -7 0 3 2 -7 0 2.7 1 -7 0 45.8 0 -7 0 25.9 0 -7 0 33.9 -1 -7 0 7.8 -1 -7 0 7.2 4 -8 0 139.49 4 -8 0 150.98 3 -8 0 33 3 -8 0 31 2 -8 0 42.7 1 -8 1 65.59 2 -8 1 49 2 -8 1 16.6 3 -8 1 15.5 3 -8 1 9.7 4 -8 1 36.1 4 -8 1 26.6 -5 8 -1 303.67 5 -8 1 280.47 5 -8 1 254.47 -1 -7 1 125.49 -1 -7 1 114.49 0 -7 1 126.49 0 -7 1 142.89 1 -7 1 2.3 1 -7 1 4.7 2 -7 1 45.3 2 -7 1 46.5 3 -7 1 15.1 3 -7 1 21.4 4 -7 1 45.6 4 -7 1 69.39 -5 7 -1 72.59 5 -7 1 61.49 5 -7 1 40.4 -6 7 -1 96.09 6 -7 1 101.59 6 -7 1 119.29 -3 -6 1 16.6 -3 -6 1 20.7 -2 -6 1 28.3 -2 -6 1 54.49 -1 -6 1 132.99 -1 -6 1 107.49 0 -6 1 1050.19 0 -6 1 1046.6 0 -6 1 1026 1 -6 1 3.9 1 -6 1 -1.6 2 -6 1 10.6 2 -6 1 12.7 3 -6 1 3.3 3 -6 1 15.5 4 -6 1 190.38 4 -6 1 231.88 -5 6 -1 148.79 5 -6 1 135.49 5 -6 1 154.18 -6 6 -1 16.2 6 -6 1 28 6 -6 1 29.1 -7 6 -1 19.5 7 -6 1 42.1 7 -6 1 39.9 -4 -5 1 9 -4 -5 1 0.8 -3 -5 1 45.3 -3 -5 1 72.79 -2 -5 1 102.59 -2 -5 1 112.49 -1 -5 1 125.49 -1 -5 1 106.49 -1 -5 1 129.29 0 -5 1 27.5 0 -5 1 46 1 -5 1 162.18 1 -5 1 188.58 2 -5 1 141.49 2 -5 1 127.89 3 -5 1 41.5 3 -5 1 47.7 3 -5 1 52.09 -4 5 -1 60.29 4 -5 1 87.69 4 -5 1 72.69 4 -5 1 78.29 -5 5 -1 156.18 5 -5 1 159.48 5 -5 1 144.89 5 -5 1 163.78 -6 5 -1 22.2 6 -5 1 31 6 -5 1 17.9 -7 5 -1 413.36 7 -5 1 386.56 7 -5 1 376.86 8 -5 1 1.6 -5 -4 1 33.4 -5 -4 1 20 -4 -4 1 214.78 -4 -4 1 220.88 -3 -4 1 34.5 -3 -4 1 27.1 -2 -4 1 -2.8 -2 -4 1 5.8 -1 -4 1 204.88 -1 -4 1 196.28 -1 -4 1 197.38 0 -4 1 120.89 0 -4 1 109.99 1 -4 1 3496.15 1 -4 1 3304.57 2 -4 1 -1 2 -4 1 -0.6 2 -4 1 3.4 3 -4 1 54.69 3 -4 1 56.89 3 -4 1 57.89 -4 4 -1 179.78 4 -4 1 181.88 4 -4 1 176.08 4 -4 1 216.48 -5 4 -1 135.59 5 -4 1 129.99 5 -4 1 150.48 -6 4 -1 174.78 6 -4 1 203.28 6 -4 1 201.18 -7 4 -1 7.6 7 -4 1 17.8 7 -4 1 17.1 8 -4 1 20.5 -6 -3 1 13.1 -6 -3 1 11.9 -5 -3 1 498.15 -5 -3 1 528.85 -4 -3 1 102.19 -4 -3 1 80.19 -3 -3 1 14.6 -3 -3 1 4.1 2 3 -1 1245.18 -2 -3 1 1149.19 -2 -3 1 1204.28 -2 -3 1 1212.68 1 3 -1 454.45 -1 -3 1 469.55 -1 -3 1 473.05 -1 -3 1 461.15 0 -3 1 1610.04 0 -3 1 1626.44 1 -3 1 737.33 1 -3 1 745.43 1 -3 1 691.93 2 -3 1 221.08 2 -3 1 211.58 2 -3 1 214.58 -3 3 -1 1397.66 3 -3 1 1406.26 3 -3 1 1441.86 3 -3 1 1444.56 -4 3 -1 55.99 4 -3 1 44.9 4 -3 1 48.5 -5 3 -1 637.24 5 -3 1 630.14 5 -3 1 637.74 -6 3 -1 610.94 6 -3 1 613.44 6 -3 1 626.54 -7 3 -1 91.39 7 -3 1 85.29 8 -3 1 20.1 -6 -2 1 106.69 5 2 -1 195.08 -5 -2 1 199.88 4 2 -1 141.79 -4 -2 1 125.29 3 2 -1 0.1 -3 -2 1 2.7 -3 -2 1 6.6 2 2 -1 22.5 -2 -2 1 31 -2 -2 1 18.7 -2 -2 1 23.5 1 2 -1 554.74 -1 -2 1 588.64 -1 -2 1 558.44 -1 -2 1 559.14 0 -2 1 9999 0 -2 1 9631.74 0 -2 1 9514.65 0 -2 1 9736.23 1 -2 1 2016.8 1 -2 1 2035.4 1 -2 1 1983.9 2 -2 1 416.06 2 -2 1 408.46 2 -2 1 411.36 3 -2 1 173.58 3 -2 1 161.28 4 -2 1 713.83 4 -2 1 724.33 -5 2 -1 415.26 5 -2 1 420.36 5 -2 1 415.56 -6 2 -1 -0.3 6 -2 1 -3.3 6 -2 1 0.1 -7 2 -1 20.7 7 -2 1 15.6 8 -2 1 7.8 7 1 -1 42.4 -7 -1 1 47.1 6 1 -1 684.33 -6 -1 1 684.93 5 1 -1 137.29 -5 -1 1 125.79 4 1 -1 176.58 -4 -1 1 170.58 -4 -1 1 186.28 3 1 -1 1.9 -3 -1 1 6.2 -3 -1 1 7.2 2 1 -1 87.19 -2 -1 1 87.69 -2 -1 1 91.99 1 1 -1 518.25 -1 -1 1 491.95 -1 -1 1 508.25 0 1 -1 982.7 0 -1 1 988.7 0 -1 1 974.9 0 -1 1 971.3 0 -1 1 967 1 -1 1 697.23 1 -1 1 706.73 1 -1 1 700.23 -2 1 -1 20.6 2 -1 1 20.5 2 -1 1 15.5 3 -1 1 79.99 3 -1 1 69.29 4 -1 1 245.28 4 -1 1 255.17 -5 1 -1 124.69 5 -1 1 126.19 5 -1 1 93.69 -6 1 -1 92.69 6 -1 1 102.69 -7 1 -1 146.89 7 -1 1 145.89 7 0 -1 3.5 -7 0 1 1.2 6 0 -1 14.3 -6 0 1 6.5 5 0 -1 298.57 5 0 -1 298.97 -5 0 1 321.07 -5 0 1 329.07 4 0 -1 20.8 4 0 -1 28.5 -4 0 1 35.4 -4 0 1 31.5 3 0 -1 183.68 3 0 -1 190.58 -3 0 1 167.78 -3 0 1 192.08 2 0 -1 -1.1 2 0 -1 1.3 -2 0 1 2.2 1 0 -1 46.5 1 0 -1 45.9 -1 0 1 38.1 -1 0 1 40.7 0 0 -1 953.2 0 0 -1 991.7 0 0 1 957.8 0 0 1 952 -1 0 -1 3141.59 1 0 1 3202.58 1 0 1 3136.69 2 0 1 879.31 2 0 1 887.81 3 0 1 869.61 3 0 1 873.81 -4 0 -1 151.58 4 0 1 144.39 4 0 1 152.58 -5 0 -1 319.37 5 0 1 340.37 -6 0 -1 135.09 6 0 1 118.69 -7 0 -1 94.19 7 0 1 83.49 8 -1 -1 7.2 -8 1 1 12.3 7 -1 -1 8.1 -7 1 1 4.2 6 -1 -1 153.78 -6 1 1 112.89 -6 1 1 144.29 5 -1 -1 291.97 5 -1 -1 305.47 -5 1 1 305.27 4 -1 -1 99.79 4 -1 -1 112.29 -4 1 1 89.49 3 -1 -1 646.44 3 -1 -1 648.54 -3 1 1 682.33 2 -1 -1 2.2 2 -1 -1 11 -2 1 1 1.7 1 -1 -1 1392.96 1 -1 -1 1382.56 -1 1 1 1414.06 0 -1 -1 7 0 -1 -1 4.4 0 -1 -1 8.9 0 1 1 9.4 -1 -1 -1 506.85 1 1 1 506.55 -2 -1 -1 1386.56 2 1 1 1393.66 -3 -1 -1 3.2 -3 -1 -1 -0.4 3 1 1 2.3 -4 -1 -1 25.6 4 1 1 29.7 -5 -1 -1 163.78 5 1 1 156.18 -6 -1 -1 32.5 6 1 1 53.29 7 1 1 -1.8 8 -2 -1 6.3 -8 2 1 12.9 7 -2 -1 137.69 -7 2 1 116.79 6 -2 -1 162.38 6 -2 -1 126.29 -6 2 1 144.29 5 -2 -1 627.44 5 -2 -1 552.74 -5 2 1 588.54 4 -2 -1 2169.68 4 -2 -1 2097.69 -4 2 1 2172.08 3 -2 -1 10.2 3 -2 -1 8.7 -3 2 1 9.3 2 -2 -1 4.5 2 -2 -1 6.3 -2 2 1 10.7 1 -2 -1 4045 1 -2 -1 4077.79 1 -2 -1 4061.59 1 -2 -1 4090.89 0 -2 -1 1701.93 0 -2 -1 1669.23 0 -2 -1 1701.03 0 2 1 1698.83 -1 -2 -1 902.91 -1 -2 -1 895.81 -1 -2 -1 930.41 1 2 1 914.61 -2 -2 -1 256.67 -2 -2 -1 241.88 -2 -2 -1 242.98 2 2 1 236.48 -3 -2 -1 91.89 3 2 1 83.39 -4 -2 -1 326.57 4 2 1 300.77 -5 -2 -1 33.4 5 2 1 29.7 -6 -2 -1 33.2 8 -3 -1 -1.8 -8 3 1 -2.9 7 -3 -1 69.69 7 -3 -1 79.29 -7 3 1 105.79 6 -3 -1 108.39 6 -3 -1 111.89 -6 3 1 106.09 5 -3 -1 184.98 5 -3 -1 178.98 -5 3 1 211.78 4 -3 -1 0.4 4 -3 -1 2.3 -4 3 1 5 3 -3 -1 26.8 3 -3 -1 21.1 3 -3 -1 24.9 -3 3 1 33 2 -3 -1 310.27 2 -3 -1 320.37 2 -3 -1 315.97 1 -3 -1 10.6 1 -3 -1 7.3 1 -3 -1 12.2 1 -3 -1 17.3 0 -3 -1 678.03 0 -3 -1 644.64 0 -3 -1 663.83 -1 -3 -1 161.88 -1 -3 -1 133.29 -1 -3 -1 133.69 1 3 1 141.49 -2 -3 -1 0 -2 -3 -1 0.5 -3 -3 -1 114.99 -3 -3 -1 128.29 -4 -3 -1 53.19 -4 -3 -1 41.2 -5 -3 -1 217.58 -5 -3 -1 218.38 8 -4 -1 58.09 8 -4 -1 54.39 -8 4 1 41.9 7 -4 -1 8.9 7 -4 -1 5.2 -7 4 1 5.2 6 -4 -1 156.68 6 -4 -1 155.28 -6 4 1 166.38 5 -4 -1 44.1 5 -4 -1 65.09 -5 4 1 35 4 -4 -1 47.9 4 -4 -1 52.09 4 -4 -1 50.49 -4 4 1 45 3 -4 -1 5.2 3 -4 -1 14.8 3 -4 -1 8.3 2 -4 -1 29.9 2 -4 -1 38.1 2 -4 -1 36.6 1 -4 -1 94.79 1 -4 -1 99.69 1 -4 -1 88.39 0 -4 -1 380.36 0 -4 -1 337.97 0 -4 -1 329.07 -1 -4 -1 10.6 -1 -4 -1 10.9 -1 -4 -1 6.8 -2 -4 -1 249.68 -2 -4 -1 238.98 -3 -4 -1 7.7 -3 -4 -1 12.9 -4 -4 -1 110.89 -4 -4 -1 108.89 -5 -4 -1 8 -5 -4 -1 7.4 7 -5 -1 92.69 7 -5 -1 104.79 -7 5 1 119.49 6 -5 -1 77.99 6 -5 -1 101.79 -6 5 1 103.09 5 -5 -1 87.39 5 -5 -1 112.59 5 -5 -1 134.49 -5 5 1 113.69 4 -5 -1 265.27 4 -5 -1 222.38 4 -5 -1 240.68 -4 5 1 241.88 3 -5 -1 236.08 3 -5 -1 236.68 2 -5 -1 405.06 2 -5 -1 371.46 1 -5 -1 219.18 1 -5 -1 213.78 0 -5 -1 124.29 0 -5 -1 114.49 0 -5 -1 125.09 -1 -5 -1 475.95 -1 -5 -1 472.65 -2 -5 -1 121.99 -2 -5 -1 105.89 -3 -5 -1 46.4 -3 -5 -1 62.99 -4 -5 -1 40.3 -4 -5 -1 63.89 7 -6 -1 14.1 7 -6 -1 -3.5 -7 6 1 0.7 6 -6 -1 15.9 -6 6 1 2.4 5 -6 -1 361.76 5 -6 -1 411.36 -5 6 1 406.26 4 -6 -1 42.5 4 -6 -1 48.1 -4 6 1 38 3 -6 -1 57.79 3 -6 -1 69.69 2 -6 -1 7.4 2 -6 -1 7.9 1 -6 -1 18.7 1 -6 -1 20.3 0 -6 -1 108.79 0 -6 -1 109.89 -1 -6 -1 46.9 -1 -6 -1 25.6 -2 -6 -1 0.5 -2 -6 -1 6.8 6 -7 -1 141.99 6 -7 -1 102.19 -6 7 1 131.09 5 -7 -1 46.1 5 -7 -1 51.09 -5 7 1 49.4 4 -7 -1 51.59 4 -7 -1 55.99 3 -7 -1 55.39 3 -7 -1 64.09 2 -7 -1 3.9 2 -7 -1 3.4 1 -7 -1 31.3 0 -7 -1 15.5 0 -7 -1 18.3 -1 -7 -1 9.2 -1 -7 -1 -1.6 3 -8 -1 5.2 3 -8 -1 -3.2 1 -8 2 159.98 2 -8 2 82.09 2 -8 2 59.79 3 -8 2 4.6 3 -8 2 4 4 -8 2 117.19 4 -8 2 125.79 -5 8 -2 37.1 5 -8 2 29.8 5 -8 2 19.2 -1 -7 2 250.67 -1 -7 2 295.97 0 -7 2 35.4 0 -7 2 21.1 1 -7 2 214.88 1 -7 2 211.88 2 -7 2 20.5 2 -7 2 47 3 -7 2 3.3 3 -7 2 -1.5 4 -7 2 146.99 4 -7 2 118.79 -5 7 -2 49.7 5 -7 2 66.69 5 -7 2 38.3 -6 7 -2 96.79 6 -7 2 93.59 6 -7 2 72.89 -3 -6 2 39.1 -3 -6 2 42.2 -2 -6 2 3.2 -2 -6 2 -1.4 -1 -6 2 98.39 -1 -6 2 123.69 0 -6 2 32.7 0 -6 2 40.4 1 -6 2 1950.1 1 -6 2 1997 2 -6 2 22 2 -6 2 19.5 3 -6 2 201.78 3 -6 2 211.68 4 -6 2 10.1 4 -6 2 19.3 -5 6 -2 297.67 5 -6 2 296.77 5 -6 2 283.37 -6 6 -2 60.19 6 -6 2 60.99 6 -6 2 48.7 7 -6 2 25.5 7 -6 2 65.49 -4 -5 2 31 -4 -5 2 57.89 -3 -5 2 4.5 -3 -5 2 0.7 -2 -5 2 225.58 -2 -5 2 209.68 -1 -5 2 -0.5 -1 -5 2 1.6 -1 -5 2 -0.4 0 -5 2 141.19 0 -5 2 150.88 0 -5 2 136.19 1 -5 2 5.2 1 -5 2 10.5 2 -5 2 221.18 2 -5 2 228.18 3 -5 2 32.8 3 -5 2 25.8 3 -5 2 14.3 -4 5 -2 10.4 4 -5 2 3.5 4 -5 2 6.5 -5 5 -2 92.79 5 -5 2 100.69 5 -5 2 107.29 5 -5 2 83.39 -6 5 -2 20 6 -5 2 19 6 -5 2 46.3 7 -5 2 0 7 -5 2 13.2 -5 -4 2 46.9 -5 -4 2 19.8 -4 -4 2 232.88 -4 -4 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