#------------------------------------------------------------------------------ #$Date: 2019-01-11 06:21:43 +0200 (Fri, 11 Jan 2019) $ #$Revision: 213004 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/04/1550437.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_1550437 loop_ _publ_author_name 'Gajarushi, Ashwini' 'Wasim, Mohd' 'Nabi, Rizwan' 'Srinivasu, Kancharlapalli' 'Rao, Ramgopal' 'Rajaraman, Gopalan' 'Subramaniam, Chandramouli' 'Shanmugam, Maheswaran' _publ_section_title ; Lanthanide complexes as molecular dopants for realizing air-stable n-type graphene logic inverters with symmetric transconductance ; _journal_name_full 'Materials Horizons' _journal_paper_doi 10.1039/C8MH01241E _journal_year 2019 _chemical_formula_sum 'C26 H18 La N9 O9' _chemical_formula_weight 739.40 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2014/7 _audit_update_record ; 2018-06-13 deposited with the CCDC. 2019-01-02 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90.052(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.1366(3) _cell_length_b 14.1095(3) _cell_length_c 20.9641(7) _cell_measurement_reflns_used 8376 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 31.2330 _cell_measurement_theta_min 2.3940 _cell_volume 2702.54(14) _computing_cell_refinement 'CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)' _computing_data_collection 'CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)' _computing_data_reduction 'CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.984 _diffrn_measured_fraction_theta_max 0.984 _diffrn_measurement_device_type 'Rigaku Saturn724+ (4x4 bin mode)' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0321 _diffrn_reflns_av_unetI/netI 0.0358 _diffrn_reflns_Laue_measured_fraction_full 0.984 _diffrn_reflns_Laue_measured_fraction_max 0.984 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_number 9854 _diffrn_reflns_point_group_measured_fraction_full 0.984 _diffrn_reflns_point_group_measured_fraction_max 0.984 _diffrn_reflns_theta_full 25.000 _diffrn_reflns_theta_max 25.000 _diffrn_reflns_theta_min 1.740 _exptl_absorpt_coefficient_mu 1.655 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.57352 _exptl_absorpt_correction_type multi-scan _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.817 _exptl_crystal_description plate _exptl_crystal_F_000 1464 _refine_diff_density_max 0.554 _refine_diff_density_min -0.666 _refine_diff_density_rms 0.108 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.064 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 406 _refine_ls_number_reflns 4657 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.064 _refine_ls_R_factor_all 0.0337 _refine_ls_R_factor_gt 0.0275 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0351P)^2^+2.0194P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0690 _refine_ls_wR_factor_ref 0.0718 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4222 _reflns_number_total 4657 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c8mh01241e2.cif _cod_data_source_block lal1 _cod_original_cell_volume 2702.53(13) _cod_database_code 1550437 _shelx_shelxl_version_number 2014/7 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_res_file ; lal1.res created by SHELXL-2014/7 TITL ms-mw-lal1_mo_a.res in P2(1)/n REM Old TITL MS-MW-LaL1_Mo in P21/n #14 REM SHELXT solution in P2(1)/n REM R1 0.107, Rweak 0.005, Alpha 0.070, Orientation as input REM Formula found by SHELXT: C29 N6 O9 La CELL 0.71073 9.136581 14.109503 20.964092 90 90.0519 90 ZERR 4 0.000272 0.000344 0.000664 0 0.0027 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H N O La UNIT 104 72 36 36 4 L.S. 30 0 0 PLAN 40 BOND $H LIST 6 MORE -1 CONF fmap 2 53 acta 52 OMIT -3 50 OMIT 0 1 2 OMIT -1 0 1 OMIT -2 2 2 OMIT -1 2 1 OMIT 1 1 1 OMIT -1 3 5 OMIT 0 2 0 OMIT -1 2 3 OMIT 0 0 4 OMIT 0 1 5 OMIT -2 2 3 OMIT -1 1 2 OMIT -1 0 3 OMIT 2 2 0 OMIT -1 2 8 REM REM REM WGHT 0.035100 2.019400 FVAR 0.38804 LA01 5 0.333845 0.244951 0.394499 11.00000 0.01710 0.01622 = 0.01651 -0.00050 -0.00245 0.00226 O71 4 0.127044 0.230361 0.480967 11.00000 0.03944 0.02403 = 0.03309 0.00371 0.00580 0.00663 O72 4 0.231469 0.096330 0.463596 11.00000 0.03318 0.02712 = 0.03168 0.00030 0.00798 0.00528 O52 4 0.593536 0.332487 0.401233 11.00000 0.02543 0.02366 = 0.02413 0.00389 -0.00712 -0.00083 O62 4 0.502390 0.236088 0.288009 11.00000 0.01848 0.02718 = 0.03051 -0.00050 -0.00276 0.00349 O51 4 0.434094 0.412737 0.347237 11.00000 0.01989 0.02397 = 0.02702 -0.00007 -0.00131 0.00375 O61 4 0.280175 0.282366 0.270036 11.00000 0.01815 0.04136 = 0.02444 -0.00007 -0.00211 -0.00208 O53 4 0.662981 0.454916 0.346476 11.00000 0.02534 0.02829 = 0.03188 0.00249 -0.00118 -0.00537 O73 4 0.038527 0.103313 0.525234 11.00000 0.03787 0.04559 = 0.05203 0.01567 0.01447 -0.00291 N15 3 0.289415 0.399321 0.472762 11.00000 0.02033 0.01906 = 0.02114 0.00081 0.00056 0.00014 O63 4 0.444370 0.300656 0.196325 11.00000 0.04205 0.04873 = 0.02365 0.00245 0.00685 -0.00882 N71 3 0.130072 0.142038 0.490650 11.00000 0.02906 0.03155 = 0.02510 0.00269 -0.00067 0.00343 N11 3 0.088404 0.175086 0.340770 11.00000 0.01912 0.02167 = 0.02052 0.00117 -0.00052 -0.00131 N16 3 0.095676 0.359552 0.380341 11.00000 0.01865 0.01936 = 0.01859 0.00061 -0.00131 0.00220 N12 3 0.340837 0.070438 0.337012 11.00000 0.02398 0.01984 = 0.01822 0.00051 0.00049 0.00148 N13 3 0.539618 0.111280 0.428603 11.00000 0.02037 0.01988 = 0.02133 0.00223 0.00170 0.00190 C30 1 0.197520 0.474881 0.452705 11.00000 0.01776 0.02251 = 0.01977 0.00011 0.00416 0.00244 N61 3 0.410390 0.273327 0.249764 11.00000 0.02810 0.02653 = 0.01994 -0.00434 -0.00100 -0.00533 N14 3 0.464151 0.252618 0.512066 11.00000 0.02048 0.02158 = 0.01657 0.00157 -0.00179 -0.00025 N51 3 0.565686 0.401053 0.364571 11.00000 0.02365 0.01931 = 0.01943 -0.00257 -0.00103 -0.00137 C32 1 0.109912 0.635215 0.455074 11.00000 0.02677 0.01946 = 0.03593 -0.00150 0.00799 0.00252 AFIX 43 H32 2 0.111509 0.695392 0.473161 11.00000 -1.20000 AFIX 0 C35 1 0.098725 0.454594 0.403467 11.00000 0.01930 0.01917 = 0.02267 -0.00085 0.00295 0.00041 C31 1 0.201850 0.565837 0.478126 11.00000 0.02302 0.02551 = 0.02547 -0.00514 -0.00056 -0.00255 AFIX 43 H31 2 0.267128 0.579899 0.510848 11.00000 -1.20000 AFIX 0 C25 1 0.637731 0.191620 0.587886 11.00000 0.02409 0.02717 = 0.02530 0.00764 -0.00533 0.00166 AFIX 43 H25 2 0.707136 0.146000 0.598416 11.00000 -1.20000 AFIX 0 C27 1 0.504569 0.331770 0.611975 11.00000 0.03002 0.02784 = 0.01876 -0.00165 -0.00188 -0.00117 AFIX 43 H27 2 0.481201 0.381637 0.639128 11.00000 -1.20000 AFIX 0 C13 1 -0.161673 0.107916 0.279143 11.00000 0.02279 0.03298 = 0.02670 0.00127 -0.00550 -0.00870 AFIX 43 H13 2 -0.244989 0.085960 0.258346 11.00000 -1.20000 AFIX 0 C16 1 0.223269 0.034517 0.313685 11.00000 0.03179 0.01827 = 0.02193 -0.00185 0.00219 -0.00136 AFIX 43 H16 2 0.224723 -0.026964 0.297707 11.00000 -1.20000 AFIX 0 C22 1 0.572556 0.035302 0.386473 11.00000 0.02545 0.01665 = 0.02362 0.00316 0.00472 0.00453 C17 1 0.471145 0.015823 0.337876 11.00000 0.02615 0.01727 = 0.02421 0.00300 0.00422 0.00224 C23 1 0.594720 0.110986 0.484743 11.00000 0.02032 0.02228 = 0.02720 0.00567 -0.00193 0.00493 AFIX 43 H23 2 0.654992 0.061128 0.497092 11.00000 -1.20000 AFIX 0 C29 1 0.336102 0.397779 0.530513 11.00000 0.02436 0.02210 = 0.02298 -0.00500 -0.00213 -0.00090 AFIX 43 H29 2 0.305180 0.444214 0.558955 11.00000 -1.20000 AFIX 0 C36 1 -0.026712 0.323575 0.364288 11.00000 0.01885 0.02304 = 0.02668 0.00370 -0.00008 0.00275 AFIX 43 H36 2 -0.112166 0.358660 0.369090 11.00000 -1.20000 AFIX 0 C24 1 0.564642 0.187629 0.529843 11.00000 0.01975 0.02142 = 0.02031 0.00502 0.00077 -0.00011 C15 1 0.086658 0.089140 0.311892 11.00000 0.02524 0.01973 = 0.01808 -0.00078 -0.00139 -0.00509 C19 1 0.627948 -0.108521 0.299231 11.00000 0.04046 0.02506 = 0.03440 -0.00459 0.01204 0.00530 AFIX 43 H19 2 0.647120 -0.156592 0.270060 11.00000 -1.20000 AFIX 0 C21 1 0.700558 -0.018146 0.391258 11.00000 0.02954 0.02488 = 0.02640 0.00601 0.00310 0.00499 AFIX 43 H21 2 0.768024 -0.005128 0.423325 11.00000 -1.20000 AFIX 0 C26 1 0.605592 0.264951 0.630122 11.00000 0.03465 0.03934 = 0.01969 0.00461 -0.00698 -0.00346 AFIX 43 H26 2 0.651478 0.268551 0.669665 11.00000 -1.20000 AFIX 0 C11 1 -0.033917 0.227057 0.338240 11.00000 0.01964 0.02208 = 0.02512 0.00457 -0.00011 -0.00097 C34 1 0.008247 0.526013 0.379519 11.00000 0.02468 0.02433 = 0.02841 0.00336 0.00120 0.00282 AFIX 43 H34 2 -0.056445 0.512960 0.346390 11.00000 -1.20000 AFIX 0 C28 1 0.437161 0.324165 0.552317 11.00000 0.01959 0.02192 = 0.02080 0.00050 -0.00058 -0.00161 C18 1 0.501749 -0.055988 0.293362 11.00000 0.03654 0.02276 = 0.02601 -0.00534 0.00345 0.00123 AFIX 43 H18 2 0.436967 -0.067946 0.260079 11.00000 -1.20000 AFIX 0 C20 1 0.727195 -0.090841 0.348087 11.00000 0.03329 0.02648 = 0.03937 0.00398 0.00964 0.00929 AFIX 43 H20 2 0.811256 -0.127588 0.351875 11.00000 -1.20000 AFIX 0 C14 1 -0.035704 0.054375 0.280222 11.00000 0.03055 0.02639 = 0.02314 -0.00318 -0.00207 -0.00629 AFIX 43 H14 2 -0.032575 -0.004273 0.260021 11.00000 -1.20000 AFIX 0 C33 1 0.015058 0.615985 0.405125 11.00000 0.02573 0.02281 = 0.03816 0.00782 0.00567 0.00567 AFIX 43 H33 2 -0.044154 0.663831 0.388821 11.00000 -1.20000 AFIX 0 C12 1 -0.162132 0.194717 0.309459 11.00000 0.02113 0.02889 = 0.02904 0.00686 -0.00518 -0.00198 AFIX 43 H12 2 -0.246884 0.231175 0.310675 11.00000 -1.20000 AFIX 0 HKLF 4 REM ms-mw-lal1_mo_a.res in P2(1)/n REM R1 = 0.0275 for 4222 Fo > 4sig(Fo) and 0.0337 for all 4657 data REM 406 parameters refined using 0 restraints END WGHT 0.0341 2.1143 REM Highest difference peak 0.554, deepest hole -0.666, 1-sigma level 0.108 Q1 1 0.3972 0.2465 0.3581 11.00000 0.05 0.55 Q2 1 0.5404 0.3238 0.4195 11.00000 0.05 0.46 Q3 1 0.1569 0.2967 0.3551 11.00000 0.05 0.45 Q4 1 0.2690 0.2388 0.4371 11.00000 0.05 0.44 Q5 1 0.1043 0.1767 0.3798 11.00000 0.05 0.43 Q6 1 0.4396 0.2560 0.4782 11.00000 0.05 0.42 Q7 1 0.5833 0.3902 0.4203 11.00000 0.05 0.40 Q8 1 0.1612 0.2027 0.3475 11.00000 0.05 0.39 Q9 1 0.2138 0.1761 0.4676 11.00000 0.05 0.38 Q10 1 0.5840 0.2527 0.2846 11.00000 0.05 0.37 Q11 1 0.6504 0.2356 0.5990 11.00000 0.05 0.37 Q12 1 0.8252 -0.0711 0.4416 11.00000 0.05 0.36 Q13 1 0.2705 -0.0866 0.2206 11.00000 0.05 0.35 Q14 1 -0.2585 0.2458 0.3600 11.00000 0.05 0.35 Q15 1 0.1126 0.1046 0.5799 11.00000 0.05 0.35 Q16 1 -0.3135 0.2435 0.3152 11.00000 0.05 0.34 Q17 1 0.5953 0.1769 0.3998 11.00000 0.05 0.34 Q18 1 0.2935 0.2433 0.5002 11.00000 0.05 0.33 Q19 1 0.5653 0.1805 0.5607 11.00000 0.05 0.32 Q20 1 0.6235 0.3246 0.4201 11.00000 0.05 0.32 Q21 1 0.5350 0.1616 0.4166 11.00000 0.05 0.32 Q22 1 0.1734 0.0565 0.4219 11.00000 0.05 0.32 Q23 1 0.8394 -0.2483 0.3366 11.00000 0.05 0.31 Q24 1 0.5725 0.3266 0.6554 11.00000 0.05 0.30 Q25 1 0.1741 0.4790 0.4168 11.00000 0.05 0.30 Q26 1 0.5419 0.2434 0.4470 11.00000 0.05 0.30 Q27 1 0.0599 0.0422 0.4169 11.00000 0.05 0.30 Q28 1 0.6729 0.1163 0.3571 11.00000 0.05 0.29 Q29 1 -0.0478 0.0566 0.5801 11.00000 0.05 0.29 Q30 1 -0.3456 0.1902 0.3581 11.00000 0.05 0.29 Q31 1 0.5987 0.3182 0.6227 11.00000 0.05 0.29 Q32 1 0.0889 0.4617 0.4361 11.00000 0.05 0.29 Q33 1 0.6701 0.3065 0.3582 11.00000 0.05 0.28 Q34 1 0.5114 0.2179 0.5211 11.00000 0.05 0.28 Q35 1 0.0707 0.1248 0.3408 11.00000 0.05 0.28 Q36 1 -0.2314 0.1803 0.3215 11.00000 0.05 0.28 Q37 1 0.5801 0.3014 0.6062 11.00000 0.05 0.28 Q38 1 0.5393 0.3772 0.6276 11.00000 0.05 0.28 Q39 1 0.6307 0.2649 0.3982 11.00000 0.05 0.27 Q40 1 0.6196 0.4591 0.3750 11.00000 0.05 0.27 ; _shelx_res_checksum 48856 _shelx_hkl_file ; 0 0 3 -0.04 0.15 0 0 -3 -0.03 0.17 0 0 4 -0.03 0.21 0 0 -5 1.31 0.54 0 0 5 4.71 1.10 0 0 6 39.52 2.89 0 0 -6 31.24 2.56 0 0 -7 1.33 0.65 0 0 7 2.33 0.68 0 0 -8 4152.04 34.47 0 0 8 4283.51 34.93 0 0 9 6.22 1.60 0 0 -9 4.16 1.06 0 0 10 4275.08 39.64 0 0 -10 4041.48 38.38 0 0 11 2.90 1.30 0 0 -11 3.97 1.43 0 0 -12 410.01 13.62 0 0 12 438.78 13.84 0 0 -13 0.85 0.84 0 0 -14 3596.71 44.29 0 0 -15 0.47 1.22 0 0 -16 1550.16 31.43 0 0 -17 1.77 1.20 0 0 -18 804.27 24.56 0 0 -19 4.97 2.57 0 0 -20 918.07 28.04 0 0 -21 1.98 1.72 0 0 -22 668.55 25.72 0 0 -23 0.03 1.87 0 0 -24 950.97 32.45 0 1 -1 -0.03 0.09 0 1 -2 -0.03 0.13 0 1 -3 -0.22 0.28 0 -1 3 734.10 10.85 0 1 -4 76.04 3.81 0 -1 4 0.08 0.22 0 -1 5 0.26 0.56 0 -1 6 3179.09 28.61 0 1 -6 2987.87 28.89 0 -1 7 1059.06 17.60 0 -1 -7 1037.91 14.80 0 -1 -8 2699.72 26.01 0 1 -8 2645.12 30.13 0 1 -9 23.69 3.31 0 -1 -9 28.56 2.88 0 -1 9 29.42 3.37 0 -1 10 675.38 16.85 0 -1 -10 642.01 14.54 0 -1 -11 534.58 14.02 0 -1 11 559.30 15.80 0 1 -11 567.87 16.27 0 -1 12 1491.43 27.20 0 -1 -12 1497.56 24.69 0 1 -12 1531.55 27.91 0 1 -13 10.37 2.62 0 -1 -13 7.76 2.06 0 -1 -14 681.46 18.22 0 1 -14 764.04 21.91 0 -1 -15 8.27 2.35 0 1 -15 8.36 2.58 0 -1 -16 1684.31 33.11 0 1 -16 1813.87 35.56 0 1 -17 10.99 3.31 0 -1 -17 11.81 3.49 0 1 -18 426.67 18.37 0 -1 -18 455.75 17.76 0 1 -19 15.73 4.13 0 -1 -19 9.67 2.84 0 1 -20 835.02 27.60 0 -1 -20 842.98 26.18 0 1 -21 58.76 7.67 0 -1 -21 58.85 7.17 0 1 -22 821.70 28.85 0 -1 -22 774.22 26.71 0 1 -23 21.28 5.15 0 -1 -23 14.41 4.00 0 1 -24 23.43 5.67 0 1 -25 17.15 5.45 0 2 0 0.12 0.28 0 2 0 0.08 0.22 0 -2 -1 30.44 2.46 0 -2 1 32.01 2.45 0 2 1 0.28 0.30 0 2 -1 -0.05 0.25 0 2 -1 0.16 0.26 0 -2 1 25.81 1.80 0 -2 -1 23.49 1.95 0 2 -2 46.51 2.54 0 2 -2 -0.08 0.22 0 2 2 119.38 4.19 0 -2 -2 158.55 4.78 0 -2 2 162.65 5.86 0 -2 -3 81.16 3.48 0 -2 3 84.24 4.50 0 2 -4 812.80 14.74 0 -2 4 821.27 14.87 0 2 -5 1060.19 18.46 0 -2 5 0.22 0.56 0 2 -6 3325.83 33.58 0 -2 6 0.57 0.59 0 -2 7 767.91 16.71 0 2 -7 730.74 16.28 0 -2 -8 2332.79 23.45 0 2 -8 2281.69 30.31 0 2 -9 106.70 6.88 0 -2 9 103.21 6.74 0 -2 -9 113.62 5.45 0 -2 10 4340.18 46.45 0 -2 -10 4447.31 36.31 0 2 -10 4448.69 46.10 0 2 -11 2.49 1.52 0 -2 -11 1.71 1.03 0 -2 11 3.59 1.64 0 2 -12 3.99 1.49 0 -2 -12 4.72 1.31 0 -2 -13 97.13 6.44 0 2 -13 98.22 7.97 0 2 -14 1896.86 35.28 0 -2 -14 1925.99 29.42 0 -2 -15 60.87 5.56 0 2 -15 56.62 6.42 0 2 -16 64.51 7.02 0 -2 -16 69.19 6.12 0 -2 -17 50.86 5.60 0 2 -17 54.44 6.77 0 2 -18 621.59 23.01 0 -2 -18 576.58 19.16 0 -2 -19 238.43 13.55 0 2 -19 256.68 15.48 0 -2 -20 749.77 23.69 0 2 -20 741.08 26.72 0 2 -21 3.70 2.82 0 -2 -21 1.29 1.74 0 -2 -22 130.28 10.70 0 2 -22 126.41 11.80 0 2 -23 1.76 2.34 0 -2 -23 5.52 3.11 0 2 -24 712.64 30.10 0 2 -25 3.99 2.63 0 3 0 3.38 0.99 0 -3 0 3.43 1.00 0 -3 0 2.83 0.92 0 3 0 4.56 1.23 0 -3 -1 59.81 3.74 0 -3 1 56.07 3.86 0 3 1 65.39 4.00 0 3 -1 50.67 3.65 0 3 1 66.28 4.29 0 -3 -1 59.24 4.06 0 -3 1 65.98 3.48 0 3 -1 59.29 3.48 0 3 2 1291.54 17.10 0 3 -2 1276.54 15.37 0 -3 -2 1314.94 21.11 0 -3 2 1301.38 19.68 0 3 -2 1278.79 19.07 0 -3 2 1233.64 15.21 0 -3 -2 1320.14 17.39 0 3 3 452.65 10.01 0 -3 -3 489.05 10.33 0 3 -3 473.74 12.24 0 3 -3 430.75 9.40 0 -3 3 433.04 11.94 0 -3 -4 946.92 14.52 0 3 -4 928.97 18.13 0 -3 4 982.14 18.63 0 -3 -5 1733.46 20.26 0 3 -5 1738.02 25.78 0 3 -6 1075.46 20.87 0 -3 -6 1159.84 16.77 0 3 -7 8.13 2.03 0 -3 7 -1.75 0.99 0 -3 8 5488.87 50.63 0 3 -8 5233.60 49.88 0 -3 9 212.04 10.50 0 3 -9 220.52 10.74 0 3 -10 736.18 20.10 0 -3 -10 736.12 14.46 0 -3 -11 249.30 8.93 0 3 -11 255.83 12.41 0 3 -12 3152.55 44.60 0 -3 -12 3126.82 33.40 0 -3 -13 72.17 5.37 0 3 -13 74.12 7.05 0 3 -14 63.46 6.81 0 -3 -14 58.78 5.03 0 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368.78 10.54 0 -5 -3 408.38 14.77 0 -5 3 394.60 13.99 0 5 -4 323.03 10.57 0 -5 -4 333.86 11.22 0 5 4 299.32 10.61 0 -5 -4 310.14 13.82 0 5 -4 284.67 12.56 0 -5 4 290.03 12.66 0 5 5 75.75 5.22 0 5 -5 86.40 5.71 0 -5 -5 89.02 5.71 0 5 -5 85.09 6.90 0 -5 5 79.59 6.66 0 -5 -6 428.50 12.63 0 5 -6 414.91 15.37 0 5 -6 392.92 12.31 0 5 -7 164.61 9.93 0 -5 -7 173.90 8.21 0 5 -7 186.12 8.87 0 -5 -8 1851.52 27.08 0 5 -8 1762.96 35.36 0 -5 -9 7.87 1.92 0 5 -9 5.24 2.16 0 -5 -10 67.98 5.50 0 5 -10 76.36 7.44 0 -5 -11 316.14 12.26 0 5 -11 329.23 15.68 0 5 -12 1406.96 34.91 0 -5 -12 1604.86 28.40 0 5 -13 105.38 9.74 0 -5 -13 125.00 8.12 0 -5 -13 123.02 6.85 0 -5 -14 170.49 8.40 0 -5 -14 177.43 10.00 0 -5 -15 138.77 9.16 0 5 -15 112.20 10.73 0 -5 -15 115.77 7.19 0 -5 -16 2712.06 35.67 0 5 -16 2676.38 51.36 0 -5 -17 99.05 7.18 0 5 -17 99.47 10.00 0 -5 -18 1400.43 27.93 0 5 -18 1300.40 37.49 0 -5 -19 17.18 3.52 0 5 -19 7.16 2.48 0 5 -20 375.07 21.98 0 -5 -20 338.00 14.64 0 5 -21 -0.46 2.11 0 5 -22 689.05 30.34 0 5 -23 81.55 10.80 0 5 -24 63.29 9.60 0 5 -25 0.70 3.83 0 5 -26 694.55 33.56 0 5 -27 4.50 5.76 0 6 -1 48.40 4.64 0 -6 -1 49.70 5.01 0 -6 1 53.66 4.61 0 6 1 33.12 4.24 0 6 -1 44.83 5.05 0 -6 -1 42.67 4.54 0 6 1 48.37 4.98 0 -6 1 45.84 4.89 0 -6 2 123.57 6.77 0 6 2 118.15 7.78 0 -6 2 102.57 7.79 0 -6 -2 111.33 7.88 0 6 -2 113.87 8.09 0 6 -2 123.02 7.39 0 -6 -2 106.85 6.96 0 6 -3 86.68 6.98 0 -6 3 88.77 5.66 0 -6 -3 88.39 7.54 0 -6 -3 73.23 5.96 0 6 3 79.79 6.27 0 6 -3 85.99 6.19 0 -6 3 84.46 7.20 0 6 4 97.44 6.80 0 -6 -4 107.27 8.61 0 -6 -4 100.47 6.89 0 6 -4 94.31 6.46 0 6 -4 90.68 7.54 0 -6 -5 1544.13 34.62 0 -6 -5 1610.54 27.16 0 6 5 1576.70 26.68 0 6 -5 1633.22 26.15 0 6 -6 56.90 4.98 0 6 -6 52.61 5.98 0 -6 -6 67.14 5.59 0 6 6 61.64 5.05 0 6 -7 1.88 1.36 0 -6 -7 2.93 1.47 0 6 -7 2.72 1.57 0 6 -8 1237.93 24.75 0 -6 -8 1246.87 24.01 0 -6 -9 16.24 2.92 0 6 -9 10.02 2.68 0 6 -9 14.11 2.78 0 -6 -10 1468.60 26.69 0 6 -10 1409.65 33.52 0 -6 -11 282.98 11.94 0 6 -11 257.34 14.79 0 -6 -12 10.06 2.50 0 6 -12 9.51 3.55 0 -6 -13 11.12 2.68 0 6 -13 6.89 2.47 0 -6 -14 915.31 23.27 0 6 -14 891.62 29.70 0 -6 -15 73.57 6.93 0 -6 -15 71.58 5.75 0 6 -15 75.63 9.10 0 -6 -16 620.01 17.19 0 6 -16 641.99 25.97 0 6 -17 4.27 2.79 0 -6 -17 6.89 2.02 0 -6 -18 247.24 11.57 0 6 -18 224.25 16.40 0 -6 -19 135.50 8.97 0 6 -19 141.43 13.20 0 6 -20 272.95 18.90 0 6 -21 33.94 6.99 0 6 -22 290.29 20.26 0 6 -23 11.58 4.74 0 6 -24 685.09 32.61 0 6 -25 8.35 3.99 0 6 -26 30.06 7.44 0 6 -27 8.68 6.30 0 -7 0 7.82 2.44 0 7 0 3.55 1.84 0 -7 0 6.38 1.79 0 7 1 544.67 18.12 0 -7 -1 544.06 17.43 0 -7 1 540.00 16.05 0 -7 -1 488.84 17.22 0 7 1 510.00 17.41 0 7 -1 514.05 16.57 0 7 -1 566.05 19.08 0 -7 -2 2434.61 36.84 0 7 -2 2356.23 39.53 0 7 2 2449.76 38.09 0 -7 -2 2542.38 40.37 0 7 -2 2614.39 38.54 0 -7 2 2531.25 32.72 0 -7 3 416.27 13.08 0 -7 -3 402.56 14.76 0 7 -3 403.30 14.40 0 7 -3 386.62 16.23 0 -7 -3 433.46 17.46 0 7 3 392.43 14.88 0 7 -4 1442.80 27.01 0 -7 -4 1380.57 27.57 0 7 4 1393.19 27.94 0 -7 -4 1386.01 32.55 0 7 -4 1310.82 30.18 0 7 -5 37.68 5.25 0 -7 -5 40.85 5.92 0 7 -5 33.14 4.22 0 -7 -5 44.51 5.01 0 7 5 34.89 4.30 0 7 -6 395.86 14.18 0 -7 -6 387.48 14.33 0 7 -7 291.12 12.21 0 -7 -7 268.09 12.02 0 7 -7 285.54 15.40 0 7 -8 2292.19 43.03 0 7 -8 2326.50 35.80 0 -7 -8 2331.94 35.71 0 -7 -9 66.09 6.04 0 7 -9 61.67 5.90 0 7 -9 68.14 7.64 0 7 -10 786.10 21.92 0 -7 -10 793.82 20.75 0 7 -10 796.39 26.21 0 7 -11 55.68 6.04 0 7 -11 57.88 7.34 0 -7 -11 63.78 6.16 0 -7 -12 1571.14 30.16 0 7 -12 1533.06 38.52 0 7 -13 569.39 23.60 0 -7 -13 562.02 18.56 0 7 -14 2.85 2.38 0 7 -15 51.99 7.71 0 -7 -16 775.21 19.33 0 7 -16 848.83 31.10 0 -7 -17 0.90 1.28 0 7 -17 0.57 1.58 0 -7 -18 149.91 9.02 0 7 -18 179.45 15.07 0 7 -19 96.62 11.27 0 7 -20 497.85 25.97 0 7 -21 -0.94 2.10 0 7 -22 349.57 23.09 0 7 -23 -0.52 3.36 0 7 -24 55.48 9.89 0 7 -25 -2.11 3.72 0 7 -26 519.52 30.67 0 7 -27 10.38 5.39 0 7 -28 20.84 6.80 0 8 0 3026.65 44.33 0 -8 0 3076.53 41.90 0 8 1 13.63 3.08 0 -8 1 20.40 3.30 0 8 1 20.81 3.88 0 8 -1 17.07 3.36 0 8 -1 22.54 4.32 0 -8 -1 11.47 2.73 0 8 -2 1023.88 28.21 0 -8 -2 1067.53 27.36 0 8 -2 1046.83 24.95 0 -8 2 1090.75 22.85 0 -8 -3 730.41 23.37 0 8 -3 738.79 24.12 0 8 -3 746.69 20.74 0 -8 3 737.80 18.58 0 8 3 723.66 21.64 0 8 -4 867.45 26.55 0 8 4 946.71 24.88 0 8 -4 919.04 23.05 0 8 -5 49.27 5.32 0 8 5 46.18 5.39 0 8 -5 46.66 6.17 0 8 6 1260.30 28.05 0 8 -6 1253.30 31.84 0 -8 -6 1221.18 27.78 0 -8 -7 91.56 7.64 0 8 -7 92.38 7.65 0 8 7 88.95 7.28 0 -8 -8 1494.94 30.23 0 8 -8 1593.47 37.84 0 8 -8 1569.46 30.50 0 8 -9 206.76 13.98 0 -8 -9 179.47 10.57 0 8 -9 195.28 11.27 0 8 -10 1850.06 35.23 0 -8 -10 1873.49 35.13 0 8 -10 1797.60 41.97 0 8 -11 307.41 14.46 0 8 -11 265.75 16.58 0 -8 -11 286.36 13.92 0 8 -12 49.68 6.07 0 8 -12 54.33 7.60 0 8 -13 89.37 8.64 0 8 -13 106.78 10.84 0 8 -14 1243.45 32.36 0 8 -14 1247.03 37.33 0 8 -15 0.27 1.39 0 8 -15 0.92 2.58 0 8 -16 39.40 6.71 0 8 -16 27.49 5.19 0 8 -17 174.60 14.84 0 -8 -17 147.97 9.08 0 8 -18 746.45 31.71 0 8 -19 -2.84 1.96 0 8 -20 267.43 19.87 0 8 -21 10.42 4.31 0 8 -22 143.79 15.07 0 8 -23 15.65 6.09 0 8 -24 341.97 25.00 0 8 -25 6.15 4.66 0 8 -26 11.80 6.41 0 8 -27 41.58 9.87 0 9 0 9.82 3.20 0 9 0 7.63 2.74 0 -9 0 8.25 2.49 0 -9 -1 1001.10 26.72 0 9 1 959.80 27.82 0 -9 1 1019.41 24.06 0 9 -1 955.84 26.15 0 9 -1 992.83 29.09 0 9 -2 2364.39 40.75 0 9 2 2452.43 44.30 0 -9 2 2374.59 36.61 0 9 -2 2390.56 45.31 0 9 -3 2.47 1.74 0 9 -3 1.69 1.34 0 -9 3 3.39 1.74 0 9 -4 719.19 26.22 0 -9 4 693.73 19.48 0 9 4 775.38 24.36 0 9 -4 810.01 24.12 0 9 -5 221.63 12.27 0 9 5 241.76 13.17 0 9 -5 256.60 15.41 0 9 -6 667.17 25.31 0 9 -6 703.83 22.24 0 9 6 657.05 21.73 0 9 -7 12.81 3.97 0 9 7 17.92 3.97 0 9 -7 11.20 3.04 0 9 -8 1925.93 37.51 0 9 -8 1493.48 37.72 0 9 -9 148.87 12.59 0 9 -9 151.42 10.47 0 9 -10 191.97 11.83 0 9 -10 200.76 14.62 0 9 -11 199.82 12.32 0 9 -11 192.80 14.64 0 9 -12 1857.27 45.95 0 9 -12 1964.97 39.90 0 9 -13 114.14 10.28 0 9 -13 80.32 10.08 0 9 -14 39.22 5.96 0 9 -14 40.45 7.08 0 9 -15 67.18 9.45 0 9 -15 79.22 8.56 0 9 -16 862.24 33.66 0 9 -16 801.29 27.75 0 9 -17 3.86 2.87 0 9 -17 -0.17 2.23 0 9 -18 366.14 23.12 0 9 -18 388.48 20.51 0 9 -19 150.67 15.17 0 9 -19 198.58 15.04 0 9 -20 472.52 23.90 0 9 -20 434.48 26.47 0 9 -21 -1.42 2.69 0 9 -21 -1.80 2.90 0 9 -22 464.03 24.98 0 9 -22 432.80 27.42 0 9 -23 151.72 15.07 0 9 -23 131.79 15.33 0 9 -24 21.59 6.48 0 9 -24 28.10 7.26 0 9 -25 43.15 9.45 0 9 -25 46.15 8.68 0 9 -26 282.76 21.49 0 9 -26 302.08 24.19 0 9 -27 6.90 4.76 0 9 -27 8.72 5.70 0 10 0 1159.52 32.95 0 10 0 1140.93 30.22 0 10 -1 175.34 13.31 0 10 1 196.84 13.47 0 10 -1 151.01 10.82 0 10 -2 52.81 7.35 0 10 2 58.26 7.29 0 10 -2 61.77 6.96 0 10 3 626.02 23.49 0 10 -3 586.75 21.69 0 10 -3 622.87 24.83 0 10 4 2037.89 41.76 0 10 -4 2003.14 39.15 0 10 -4 1968.06 45.19 0 10 -5 118.66 9.73 0 10 5 97.69 9.03 0 10 -5 87.92 9.55 0 10 -6 1127.13 29.71 0 10 -6 1141.99 35.28 0 10 -7 147.62 12.59 0 10 -7 165.04 11.64 0 10 7 141.42 10.59 0 10 -8 1165.21 35.53 0 10 -8 1151.14 30.29 0 10 8 1161.17 29.17 0 10 -9 25.10 5.20 0 10 -9 26.94 4.78 0 10 -10 2164.11 42.84 0 10 -10 2042.87 48.03 0 10 -11 255.03 17.25 0 10 -11 288.75 15.49 0 10 -12 3.56 2.47 0 10 -12 2.22 1.62 0 10 -13 63.20 9.05 0 10 -13 67.59 7.78 0 10 -14 732.12 26.30 0 10 -14 770.84 31.56 0 10 -15 61.51 9.28 0 10 -15 54.88 7.46 0 10 -16 45.11 8.20 0 10 -16 33.11 5.91 0 10 -17 12.70 4.46 0 10 -17 22.03 5.35 0 10 -18 1381.31 39.27 0 10 -18 1364.71 45.67 0 10 -19 2.36 2.40 0 10 -19 3.38 3.71 0 10 -20 605.61 31.43 0 10 -20 562.06 26.40 0 10 -21 20.36 5.56 0 10 -21 26.13 6.68 0 10 -22 80.05 11.82 0 10 -22 87.67 11.15 0 10 -23 20.92 5.84 0 10 -23 13.57 5.60 0 10 -24 244.54 21.75 0 10 -24 265.47 20.05 0 10 -25 8.96 6.31 0 10 -25 7.15 4.69 0 10 -26 11.98 6.43 0 11 0 3.08 2.48 0 11 1 86.43 9.37 0 11 -1 79.33 8.25 0 11 -1 91.67 9.97 0 11 2 2033.82 45.26 0 11 -2 1882.28 40.37 0 11 -2 1950.05 46.50 0 11 3 7.00 2.42 0 11 -3 6.90 2.66 0 11 -3 4.94 2.35 0 11 4 182.68 13.11 0 11 -4 194.71 13.19 0 11 -4 190.75 14.45 0 11 -5 101.35 9.56 0 11 -5 97.04 10.59 0 11 5 107.40 10.03 0 11 6 1303.22 34.66 0 11 -6 1418.96 36.30 0 11 -6 1322.67 39.85 0 11 -7 9.25 3.06 0 11 7 8.37 3.10 0 11 -7 6.38 3.11 0 11 8 1486.23 35.01 0 11 -8 1488.84 42.70 0 11 -8 1443.00 36.06 0 11 -9 403.48 22.58 0 11 -9 407.47 19.30 0 11 -10 97.62 11.39 0 11 -10 92.68 9.39 0 11 -11 46.10 8.05 0 11 -11 29.40 5.39 0 11 -12 1315.25 42.09 0 11 -12 1450.89 37.76 0 11 -13 55.56 7.54 0 11 -13 40.28 7.83 0 11 -14 54.64 8.95 0 11 -14 41.61 6.61 0 11 -15 23.43 5.22 0 11 -15 12.48 5.29 0 11 -16 740.60 33.27 0 11 -16 706.03 27.75 0 11 -17 7.79 4.59 0 11 -17 8.93 3.67 0 11 -18 599.85 26.84 0 11 -18 563.18 29.84 0 11 -19 146.50 16.02 0 11 -19 134.25 13.22 0 11 -20 153.24 17.08 0 11 -20 154.48 14.30 0 11 -21 4.34 3.70 0 11 -21 -2.06 4.11 0 11 -22 295.56 20.98 0 11 -22 261.99 22.31 0 11 -23 28.71 7.98 0 11 -23 31.10 7.89 0 11 -24 45.22 10.40 0 11 -24 31.21 7.57 0 12 0 1597.20 43.07 0 12 -1 70.99 8.36 0 12 1 95.42 10.68 0 12 -1 85.95 9.93 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43.15 7.99 0 15 -5 58.41 10.15 0 15 -6 759.12 35.87 0 15 6 709.67 31.40 0 15 -6 746.65 30.50 0 15 -7 19.77 6.55 0 15 -7 10.82 4.47 0 15 7 9.23 4.08 0 15 -8 723.20 36.01 0 15 -8 728.42 30.41 0 15 8 771.00 31.23 0 15 -9 135.48 15.71 0 15 -9 110.87 12.09 0 15 -10 78.67 12.15 0 15 -11 56.03 10.39 0 15 -12 383.23 27.20 0 15 -13 70.55 11.77 0 15 -14 8.80 4.49 0 15 -15 103.30 14.84 0 15 -16 344.38 26.93 0 15 -17 15.23 6.27 0 16 0 344.22 23.97 0 16 -1 129.19 14.92 0 16 1 122.47 14.37 0 16 2 60.11 10.13 0 16 -2 52.18 10.06 0 16 3 283.34 21.01 0 16 -3 317.33 23.43 0 16 4 293.53 21.18 0 16 -4 350.13 24.89 0 16 5 5.03 4.92 0 16 -5 -0.84 3.18 0 16 -6 304.83 23.54 0 16 6 292.95 21.00 0 16 7 233.49 18.49 0 16 -7 242.21 21.35 0 16 8 103.15 12.07 0 16 -8 88.97 13.03 0 16 -9 22.66 6.90 0 16 -10 652.80 35.76 0 16 -11 177.62 19.11 0 16 -12 9.26 5.23 0 16 -13 17.68 6.79 0 16 -14 191.88 20.48 0 16 -15 10.44 6.30 0 17 0 3.14 3.54 0 17 -1 125.59 15.46 0 17 1 118.00 14.53 0 17 2 221.37 19.69 0 17 -2 205.59 19.49 0 17 3 34.49 7.21 0 17 -3 38.27 9.49 0 17 -4 18.20 5.80 0 17 4 23.20 6.73 0 17 -5 76.94 12.28 0 17 5 71.47 11.22 0 17 6 294.69 21.88 0 17 -6 334.03 25.80 0 17 7 12.42 5.34 0 17 -7 21.47 7.46 0 17 -8 252.26 22.77 0 17 8 471.14 27.42 0 17 -9 114.29 15.50 0 17 -10 2.41 4.18 0 17 -11 1.76 3.64 0 17 -12 258.20 24.13 0 17 -13 4.68 4.88 0 18 0 310.19 24.77 0 18 1 202.09 20.17 0 18 -1 226.69 21.05 0 18 -2 51.99 10.86 0 18 2 57.04 10.85 0 18 3 215.05 20.06 0 18 -3 249.04 22.42 0 18 -4 435.09 30.16 0 18 4 406.37 27.55 0 18 -5 40.34 9.59 0 18 5 50.14 10.08 0 18 6 74.14 11.72 0 18 -6 66.86 12.19 0 18 -7 80.17 13.71 0 18 -8 103.96 15.81 0 18 -9 5.17 4.96 0 18 -10 256.39 24.09 0 19 0 15.96 7.11 0 19 1 88.34 13.61 0 19 -1 105.84 15.80 0 19 -2 428.22 30.71 0 19 2 361.40 27.14 0 19 3 44.10 10.07 0 19 -3 51.25 11.08 0 19 4 88.22 13.79 0 19 -4 68.99 12.69 0 19 5 123.65 15.60 0 19 -5 152.53 18.99 0 19 -6 231.75 23.35 0 20 0 210.40 21.45 0 20 1 44.24 11.11 0 20 -1 38.52 10.17 0 20 -2 37.54 10.33 0 20 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13 -11 54.79 9.79 2 13 -10 1403.44 45.98 2 13 -10 1448.30 47.68 2 13 -9 179.01 16.56 2 13 -9 170.98 16.39 -2 13 9 156.26 11.40 -2 13 8 109.58 10.32 2 13 -8 107.56 13.15 2 13 -8 100.50 12.52 2 13 -7 205.11 17.40 -2 13 7 198.84 13.87 2 13 -7 218.17 18.13 -2 13 6 439.57 21.07 2 13 -6 435.53 25.59 2 13 -6 495.13 26.91 2 13 -5 7.62 4.09 -2 13 5 10.23 3.83 2 13 -5 18.16 5.79 2 13 -4 27.62 6.60 2 13 -4 23.87 6.48 -2 13 4 17.56 4.83 2 13 -3 62.59 9.12 2 13 -3 72.00 10.14 -2 13 3 72.58 9.29 2 13 -2 378.25 23.11 2 13 -2 419.23 24.59 -2 13 2 386.37 21.34 -2 13 1 54.83 8.26 2 13 -1 44.41 7.90 2 13 -1 41.56 7.99 2 13 0 658.64 30.37 2 13 0 692.93 31.18 -2 13 0 681.12 29.45 2 13 1 194.63 16.26 2 13 1 169.85 15.97 -2 13 -1 191.93 15.49 -2 13 -2 2.09 2.11 2 13 2 -0.24 2.86 2 13 3 171.22 15.41 -2 13 -3 174.12 15.21 -2 13 -4 2059.84 53.24 2 13 4 2152.24 53.25 -2 13 -5 276.93 19.54 2 13 5 258.16 18.51 -2 13 -6 150.53 14.57 -2 13 -6 157.99 10.01 2 13 6 158.79 14.31 -2 13 -7 67.42 9.82 -2 13 -8 798.12 33.16 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356.95 23.88 2 14 -4 642.28 31.22 -2 14 4 657.56 28.15 2 14 -4 672.16 31.85 2 14 -3 40.13 8.30 2 14 -3 25.19 6.71 -2 14 3 32.81 6.88 -2 14 2 322.17 20.56 2 14 -2 304.09 21.92 2 14 -2 322.67 22.09 -2 14 1 70.54 9.73 2 14 -1 83.20 11.09 2 14 -1 66.77 10.02 2 14 0 36.43 7.49 2 14 0 33.04 7.28 -2 14 0 36.30 7.19 -2 14 -1 181.93 15.89 2 14 1 168.89 15.83 2 14 2 262.67 19.49 -2 14 -2 219.51 17.65 2 14 3 95.46 12.01 -2 14 -3 100.70 12.04 2 14 4 45.28 8.48 -2 14 -4 33.27 7.50 -2 14 -5 532.83 28.86 2 14 5 492.17 26.38 -2 14 -6 601.55 30.54 2 14 6 552.34 27.58 2 14 7 92.38 11.30 -2 14 -7 76.94 10.96 -2 14 -8 506.34 28.59 -2 14 -9 147.10 15.80 -2 14 -10 556.41 30.27 -2 14 -11 11.92 5.15 -2 14 -12 441.11 27.41 -2 14 -13 122.23 14.87 -2 14 -14 193.47 18.74 -2 14 -15 70.16 11.64 -2 14 -16 358.79 26.42 -2 14 -17 40.43 9.62 -2 14 -18 -0.08 4.67 -2 14 -19 130.66 17.10 2 15 -18 14.17 6.44 2 15 -17 114.39 15.53 2 15 -17 141.46 17.71 2 15 -16 47.11 10.02 2 15 -16 62.10 11.41 2 15 -15 -0.08 3.17 2 15 -15 0.02 3.20 2 15 -14 162.98 17.72 2 15 -14 141.34 16.84 2 15 -13 119.49 15.54 2 15 -13 105.88 14.16 2 15 -12 33.52 8.61 2 15 -12 40.36 8.92 2 15 -11 14.05 5.96 2 15 -11 22.42 6.49 2 15 -10 673.15 35.12 2 15 -10 762.87 37.62 2 15 -9 258.12 21.39 2 15 -9 255.86 21.37 2 15 -8 26.26 7.37 2 15 -8 19.68 6.60 2 15 -7 254.27 21.37 -2 15 7 214.37 16.04 2 15 -7 263.65 21.56 -2 15 6 579.39 26.65 2 15 -6 586.37 31.61 2 15 -6 604.19 32.30 -2 15 5 63.57 9.47 2 15 -5 77.56 11.77 2 15 -5 81.68 11.83 -2 15 4 137.45 13.77 2 15 -4 119.68 14.39 2 15 -4 146.80 15.60 -2 15 3 307.59 20.53 2 15 -3 300.50 22.32 -2 15 2 529.41 27.12 2 15 -2 509.89 29.07 2 15 -2 477.96 27.48 -2 15 1 33.27 7.20 2 15 -1 62.16 10.29 2 15 -1 44.26 8.70 2 15 0 393.72 24.88 -2 15 0 380.79 23.86 2 15 1 63.44 10.08 -2 15 -1 71.33 10.83 -2 15 -2 136.95 14.67 2 15 2 138.99 14.78 -2 15 -3 23.15 6.37 2 15 3 21.37 6.39 -2 15 -4 339.09 23.25 2 15 4 307.67 22.09 2 15 5 93.03 12.04 -2 15 -5 97.05 12.78 -2 15 -6 25.96 7.63 2 15 6 21.24 5.69 -2 15 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16.83 6.60 2 16 2 752.57 36.07 -2 16 -2 737.51 35.46 -2 16 -3 219.49 19.87 2 16 3 171.39 17.41 -2 16 -4 69.93 11.46 2 16 4 56.11 10.29 2 16 5 134.35 15.19 -2 16 -5 141.74 16.19 -2 16 -6 551.71 31.51 2 16 6 550.13 29.69 -2 16 -7 29.71 7.78 -2 16 -8 61.30 11.24 -2 16 -9 202.58 19.85 -2 16 -10 320.11 25.53 -2 16 -11 -1.91 3.46 -2 16 -12 540.86 33.78 -2 16 -13 58.56 11.85 -2 16 -14 70.50 13.53 -2 16 -15 9.91 6.26 2 17 -12 41.08 9.58 2 17 -11 12.28 5.91 2 17 -10 328.17 26.59 2 17 -9 180.41 19.00 2 17 -9 171.56 18.98 2 17 -8 7.46 4.74 2 17 -8 0.19 4.79 2 17 -7 89.10 13.92 2 17 -7 74.97 12.82 2 17 -6 338.99 26.20 2 17 -6 261.26 22.67 -2 17 5 80.82 11.39 2 17 -5 78.09 12.87 2 17 -5 90.83 13.15 2 17 -4 315.79 24.94 2 17 -4 280.68 22.80 -2 17 4 237.84 19.79 2 17 -3 74.59 12.05 -2 17 3 63.15 10.62 2 17 -3 89.72 13.26 2 17 -2 335.95 25.23 -2 17 2 276.31 21.51 2 17 -1 17.54 6.28 -2 17 1 20.92 6.48 2 17 0 603.73 33.74 -2 17 0 621.05 33.16 2 17 1 174.69 18.07 -2 17 -1 124.26 14.88 -2 17 -2 24.51 7.22 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9 -8 1714.56 44.64 -4 9 8 1813.02 25.87 4 9 -7 674.63 27.86 4 9 -7 606.58 29.18 -4 9 7 615.97 17.08 4 -9 -7 637.53 15.53 4 9 -6 151.10 13.23 -4 9 6 177.15 9.83 4 9 -6 172.76 15.48 4 -9 -6 171.61 8.65 -4 9 5 147.66 9.60 4 9 -5 133.71 12.28 4 9 -5 138.77 13.87 4 -9 -5 143.18 8.37 -4 9 4 4409.74 52.01 4 9 -4 4495.17 69.74 4 -9 -4 4351.36 47.00 4 -9 -3 54.19 4.73 4 9 -3 47.19 7.18 4 9 -3 55.02 8.95 -4 9 3 51.55 6.08 4 -9 -2 270.50 8.22 4 9 -2 317.68 21.37 -4 9 2 299.43 14.57 4 9 -2 312.56 18.65 4 9 -1 45.98 7.05 4 9 -1 44.59 8.18 -4 9 1 53.22 6.38 4 9 0 650.14 26.45 4 9 0 683.13 31.26 -4 9 0 610.81 22.31 4 9 1 2.28 2.80 4 9 1 3.35 2.78 -4 9 -1 0.38 1.62 4 9 2 751.92 28.03 -4 9 -2 703.73 24.86 4 9 2 725.69 32.49 -4 9 -3 39.54 6.09 4 9 3 61.83 9.50 4 9 3 44.37 7.01 -4 9 -4 327.91 17.52 4 9 4 327.60 21.95 -4 9 -5 208.73 14.16 -4 9 -6 3428.83 59.69 -4 9 -7 44.28 7.01 -4 9 -8 11.70 3.90 -4 9 -9 858.61 31.73 -4 9 -10 2596.98 26.50 -4 9 -10 2624.11 56.91 -4 9 -11 8.22 1.77 -4 9 -11 8.11 2.37 -4 9 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4 10 -9 266.45 20.08 4 10 -8 18.82 5.65 4 10 -8 10.21 4.63 -4 10 8 10.74 2.42 -4 10 7 3.92 1.54 4 10 -7 -0.34 2.03 4 10 -7 7.31 2.93 4 10 -6 1689.87 45.71 4 10 -6 1733.74 51.53 -4 10 6 1829.87 35.03 4 10 -5 1064.10 35.85 4 10 -5 1096.98 41.01 -4 10 5 1016.28 26.68 -4 10 4 4.83 2.38 4 10 -4 7.42 3.77 4 10 -4 3.15 2.12 -4 10 3 9.23 2.64 4 10 -3 11.18 3.93 4 -10 -3 8.02 1.92 4 10 -3 9.21 4.05 4 10 -2 2289.51 58.91 4 10 -2 2283.71 52.20 -4 10 2 2367.05 43.70 4 10 -1 379.10 21.37 4 10 -1 386.15 24.53 -4 10 1 338.37 16.87 4 10 0 725.46 29.61 4 10 0 718.69 32.93 -4 10 0 711.55 25.08 4 10 1 4.68 1.91 4 10 1 6.02 3.16 4 10 2 235.90 16.56 -4 10 -2 227.05 15.26 4 10 2 212.15 18.11 4 10 3 369.08 20.69 -4 10 -3 381.14 19.57 4 10 3 362.06 23.53 -4 10 -4 2382.56 53.03 4 10 4 2517.06 62.34 -4 10 -5 29.04 6.00 -4 10 -6 310.34 18.95 -4 10 -7 264.96 17.80 -4 10 -8 1472.85 42.58 -4 10 -9 552.57 26.48 -4 10 -10 23.37 6.00 -4 10 -11 409.92 23.80 -4 10 -12 930.16 36.45 -4 10 -13 25.33 6.46 -4 10 -14 778.50 34.82 -4 10 -15 51.28 9.59 -4 10 -16 421.75 26.49 -4 10 -17 3.91 4.17 -4 10 -18 997.68 42.50 -4 10 -19 115.13 14.99 -4 10 -20 59.25 11.08 -4 10 -21 10.10 5.01 -4 -10 -21 8.05 3.83 -4 10 -22 352.97 27.23 4 11 -23 13.60 6.47 4 11 -22 228.66 21.15 4 11 -22 213.75 20.94 4 11 -21 77.80 13.07 4 11 -21 73.58 11.94 4 11 -20 94.94 13.63 4 11 -20 94.53 14.03 4 11 -19 0.45 3.00 4 11 -19 4.77 5.49 4 11 -18 612.89 32.69 4 11 -18 606.69 32.76 4 11 -17 6.78 3.85 4 11 -17 16.34 5.96 4 11 -16 9.37 4.67 4 11 -16 11.42 5.11 4 11 -15 189.62 18.22 4 11 -15 157.37 16.14 4 11 -14 1010.11 41.24 4 11 -14 953.19 38.49 4 11 -13 46.20 9.07 4 11 -13 60.75 10.07 4 11 -12 284.52 21.78 4 11 -12 286.83 20.63 4 11 -11 167.35 16.70 4 11 -11 190.85 16.45 4 11 -10 459.28 25.12 4 11 -10 464.11 27.77 4 11 -9 131.30 13.50 4 11 -9 89.30 12.17 4 11 -8 380.92 22.95 -4 11 8 392.68 14.99 4 11 -8 348.15 23.31 4 11 -7 43.68 8.73 -4 11 7 46.29 5.59 4 11 -7 24.27 6.03 4 11 -6 97.63 11.66 4 11 -6 113.27 13.88 -4 11 6 108.08 9.14 4 11 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4 12 -19 49.21 10.42 4 12 -18 7.05 5.39 4 12 -18 10.44 4.87 4 12 -17 2.23 2.92 4 12 -17 3.80 4.35 4 12 -16 541.35 31.67 4 12 -16 512.63 30.18 4 12 -15 13.87 5.02 4 12 -15 19.04 6.53 4 12 -14 77.44 12.18 4 12 -14 76.64 11.46 4 12 -13 88.60 13.17 4 12 -13 82.10 11.67 4 12 -12 473.63 29.44 4 12 -12 536.48 29.13 4 12 -11 21.11 5.97 4 12 -11 12.49 5.76 4 12 -10 383.88 24.39 4 12 -10 331.42 24.27 4 12 -9 133.63 14.36 4 12 -9 109.89 14.17 4 12 -8 192.27 16.63 4 12 -8 213.77 19.87 4 12 -7 41.77 9.34 -4 12 7 32.30 5.20 4 12 -7 27.35 6.64 4 12 -6 943.07 37.21 -4 12 6 883.19 27.76 4 12 -6 958.15 41.34 4 12 -5 111.87 12.55 -4 12 5 87.21 9.07 4 12 -5 131.06 15.44 4 12 -4 6.87 3.83 4 12 -4 13.94 5.62 -4 12 4 15.30 3.77 -4 12 3 224.96 15.31 4 12 -3 202.81 16.82 -4 12 2 515.71 23.43 4 12 -2 499.85 29.91 4 12 -2 566.92 28.25 -4 12 1 11.16 3.96 4 12 -1 18.74 6.44 4 12 -1 6.56 3.70 -4 12 0 163.11 13.09 4 12 0 170.06 15.62 4 12 0 161.33 17.20 -4 12 -1 19.74 4.84 4 12 1 20.36 5.86 4 12 1 19.22 5.62 4 12 2 738.14 31.55 4 12 2 737.86 36.15 -4 12 -2 768.56 30.23 4 12 3 33.39 6.93 4 12 3 37.79 8.74 -4 12 -3 45.64 7.46 -4 12 -4 767.28 30.77 -4 12 -5 144.56 13.64 -4 12 -6 20.55 5.80 -4 12 -7 7.71 4.30 -4 12 -8 484.58 26.30 -4 12 -9 2.14 2.84 -4 12 -10 107.53 13.11 -4 12 -11 141.24 15.74 -4 12 -12 561.87 30.82 -4 12 -13 7.02 5.78 -4 12 -14 276.72 23.29 -4 12 -15 85.55 13.69 -4 12 -16 234.36 21.49 -4 12 -17 18.56 6.86 -4 12 -18 522.42 33.02 -4 12 -19 22.86 7.89 -4 12 -20 22.67 7.51 4 13 -20 2.00 3.83 4 13 -20 7.61 5.33 4 13 -19 5.32 5.11 4 13 -19 4.02 4.82 4 13 -18 205.45 21.09 4 13 -18 186.12 19.56 4 13 -17 19.40 5.81 4 13 -17 21.71 7.60 4 13 -16 9.46 5.22 4 13 -16 10.90 5.36 4 13 -15 87.76 13.58 4 13 -15 128.24 15.82 4 13 -14 579.55 32.68 4 13 -14 568.69 34.22 4 13 -13 79.98 13.01 4 13 -13 71.15 11.41 4 13 -12 198.93 18.07 4 13 -12 183.75 19.19 4 13 -11 141.78 15.74 4 13 -11 134.37 16.42 4 13 -10 418.69 26.37 4 13 -10 352.16 26.17 4 13 -9 -0.35 3.31 4 13 -9 6.41 3.91 4 13 -8 841.78 40.91 4 13 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14 -18 -5.75 5.42 4 14 -17 15.91 7.26 4 14 -17 25.39 7.87 4 14 -16 375.54 29.57 4 14 -16 451.21 30.12 4 14 -15 47.28 10.84 4 14 -15 48.97 10.45 4 14 -14 16.55 6.86 4 14 -14 21.17 7.07 4 14 -13 148.44 16.84 4 14 -13 170.41 19.38 4 14 -12 430.61 28.41 4 14 -12 438.05 30.88 4 14 -11 13.21 6.41 4 14 -11 10.59 5.97 4 14 -10 380.75 26.09 4 14 -10 409.30 29.96 4 14 -9 176.63 17.67 4 14 -9 204.66 20.92 4 14 -8 246.98 20.75 4 14 -8 283.66 25.45 4 14 -7 12.69 5.41 4 14 -7 5.75 3.57 4 14 -6 835.91 37.28 4 14 -6 877.19 42.77 4 14 -5 115.84 13.62 4 14 -5 95.50 14.30 -4 14 5 95.86 10.71 4 14 -4 1.15 4.13 4 14 -4 7.11 4.15 -4 14 4 2.75 2.49 4 14 -3 260.75 23.18 -4 14 3 238.75 17.37 4 14 -3 276.11 21.22 -4 14 2 561.24 26.87 4 14 -2 555.00 34.01 4 14 -2 593.31 30.97 4 14 -1 35.96 8.17 -4 14 1 47.03 8.36 4 14 -1 49.30 10.30 4 14 0 121.11 14.05 -4 14 0 83.27 10.77 4 14 0 85.82 13.46 -4 14 -1 120.86 13.05 4 14 1 101.86 12.84 4 14 1 120.82 15.61 4 14 2 767.05 34.72 -4 14 -2 791.97 33.71 4 14 2 739.11 38.61 4 14 3 18.46 5.61 -4 14 -3 7.75 3.90 -4 14 -4 703.16 31.56 4 14 4 797.73 34.73 -4 14 -5 138.93 14.68 -4 14 -6 39.24 8.31 -4 14 -7 111.73 13.47 -4 14 -8 749.20 35.84 -4 14 -9 143.59 15.93 -4 14 -10 41.62 8.79 -4 14 -11 109.23 14.41 -4 14 -12 483.82 29.88 -4 14 -13 12.22 5.46 -4 14 -14 233.66 21.63 -4 14 -15 9.69 4.81 -4 14 -16 23.31 7.43 -4 14 -17 5.46 3.96 4 15 -18 306.48 28.31 4 15 -17 20.95 7.87 4 15 -16 8.46 6.92 4 15 -15 82.26 13.20 4 15 -15 52.17 11.44 4 15 -14 559.71 34.21 4 15 -14 545.19 36.43 4 15 -13 10.61 7.17 4 15 -13 1.83 3.00 4 15 -12 124.99 15.84 4 15 -12 103.15 16.41 4 15 -11 35.40 9.87 4 15 -11 32.67 7.83 4 15 -10 99.72 14.02 4 15 -10 89.77 15.10 4 15 -9 47.46 9.98 4 15 -9 54.41 11.86 4 15 -8 318.34 24.36 4 15 -8 272.88 24.78 4 15 -7 237.45 21.06 4 15 -7 245.33 23.57 4 15 -6 31.57 7.91 4 15 -6 15.82 6.03 4 15 -5 48.47 9.60 4 15 -5 36.54 9.03 4 15 -4 593.80 35.98 -4 15 4 558.69 27.12 4 15 -4 574.47 31.81 -4 15 3 66.60 9.73 4 15 -3 74.04 13.32 4 15 -3 61.30 10.59 4 15 -2 31.19 8.18 4 15 -2 33.61 8.83 -4 15 2 29.72 7.04 4 15 -1 113.03 14.12 -4 15 1 103.61 12.56 4 15 -1 106.49 14.99 -4 15 0 563.48 29.27 4 15 0 528.59 30.83 4 15 0 570.58 34.61 4 15 1 12.31 5.08 -4 15 -1 10.21 4.40 4 15 1 5.57 4.44 4 15 2 434.95 26.94 -4 15 -2 437.34 26.49 -4 15 -3 98.00 12.74 4 15 3 121.77 14.01 -4 15 -4 123.41 14.52 4 15 4 115.15 14.00 -4 15 -5 51.39 9.68 -4 15 -6 376.29 25.63 -4 15 -7 210.44 19.32 -4 15 -8 5.68 5.10 -4 15 -9 88.50 12.97 -4 15 -10 338.74 25.52 -4 15 -11 46.71 10.04 -4 15 -12 147.70 17.33 -4 15 -13 125.85 16.87 -4 15 -14 151.55 18.39 -4 15 -15 13.10 6.99 4 16 -16 241.54 25.65 4 16 -15 22.00 8.09 4 16 -14 80.98 15.05 4 16 -13 35.68 9.62 4 16 -13 38.67 9.23 4 16 -12 160.19 18.31 4 16 -12 152.75 20.31 4 16 -11 5.48 6.29 4 16 -11 1.03 3.84 4 16 -10 30.23 8.63 4 16 -10 43.86 11.29 4 16 -9 14.58 6.24 4 16 -9 9.10 6.05 4 16 -8 49.48 10.38 4 16 -8 23.09 7.70 4 16 -7 16.94 6.03 4 16 -7 27.17 8.55 4 16 -6 310.35 24.38 4 16 -6 312.03 26.91 4 16 -5 46.97 10.96 4 16 -5 39.48 8.88 4 16 -4 18.50 6.97 4 16 -4 26.65 9.67 4 16 -3 91.50 14.66 4 16 -3 96.54 14.20 4 16 -2 630.21 34.66 -4 16 2 523.06 28.22 4 16 -2 606.65 37.05 4 16 -1 132.51 15.84 -4 16 1 99.94 12.83 4 16 -1 105.11 16.14 -4 16 0 186.95 17.89 4 16 0 224.82 20.73 4 16 0 218.45 22.00 -4 16 -1 99.50 13.03 4 16 1 95.57 13.48 4 16 2 309.73 23.55 -4 16 -2 310.60 23.32 -4 16 -3 10.22 5.71 4 16 3 9.70 5.77 -4 16 -4 499.50 30.62 -4 16 -5 164.39 17.86 -4 16 -6 45.07 9.34 -4 16 -7 17.36 7.41 -4 16 -8 211.22 20.27 -4 16 -9 224.40 21.55 -4 16 -10 40.51 9.77 -4 16 -11 94.61 13.76 -4 16 -12 242.66 22.82 -4 16 -13 0.21 3.71 4 17 -14 185.28 24.30 4 17 -13 15.65 7.81 4 17 -11 107.25 16.98 4 17 -10 85.86 15.84 4 17 -9 1.77 3.21 4 17 -9 5.65 4.63 4 17 -8 178.45 19.36 4 17 -8 201.57 23.18 4 17 -7 51.63 11.13 4 17 -7 54.39 12.38 4 17 -6 35.98 10.93 4 17 -6 28.11 7.74 4 17 -5 74.25 13.79 4 17 -5 64.68 11.46 4 17 -4 332.85 28.65 4 17 -4 374.24 28.07 4 17 -3 78.93 13.08 4 17 -3 76.45 14.09 4 17 -2 115.29 15.72 4 17 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43.75 10 8 -1 24.90 9.50 -10 8 0 66.64 9.33 10 8 0 75.98 15.50 -10 8 -1 29.85 6.84 10 8 1 42.53 12.08 -10 8 -2 350.43 22.37 10 8 2 329.41 30.24 -10 8 -3 -4.75 4.18 10 8 3 0.11 4.77 -10 8 -4 463.06 26.63 10 8 4 505.50 38.06 -10 8 -5 21.04 5.85 -10 8 -6 30.65 7.59 -10 8 -7 13.04 5.59 -10 8 -8 715.80 35.49 -10 8 -9 138.81 15.98 -10 8 -10 19.30 6.77 -10 8 -11 5.73 5.03 -10 8 -12 204.14 20.61 -10 8 -13 0.38 3.55 10 9 -10 194.36 24.51 10 9 -9 31.44 10.31 10 9 -8 409.06 34.98 10 9 -7 53.96 13.28 10 9 -6 1.17 4.45 10 9 -5 10.92 6.93 10 9 -4 439.90 36.66 10 9 -3 5.76 6.98 10 9 -2 55.13 13.10 10 9 -1 34.00 11.57 10 9 0 210.05 24.95 -10 9 -1 9.79 4.53 10 9 1 7.94 6.81 -10 9 -2 249.74 19.46 10 9 2 289.24 29.42 -10 9 -3 33.83 7.91 10 9 3 39.36 11.18 -10 9 -4 50.81 9.51 -10 9 -5 15.24 6.01 -10 9 -6 445.20 28.44 -10 9 -7 18.72 5.96 -10 9 -8 11.99 5.48 -10 9 -9 14.09 6.91 -10 9 -10 434.40 29.48 -10 9 -11 142.37 17.21 -10 9 -12 115.51 16.00 10 10 -8 4.62 4.73 10 10 -7 6.20 6.90 10 10 -6 215.65 26.23 10 10 -5 14.95 8.71 10 10 -4 8.45 7.13 10 10 -3 29.46 10.19 10 10 -2 329.56 32.37 10 10 -1 10.19 7.48 10 10 0 7.44 6.91 10 10 1 106.74 18.81 10 10 2 138.55 21.67 -10 10 -3 6.95 3.87 10 10 3 26.53 10.72 -10 10 -4 323.04 23.33 -10 10 -5 11.20 6.05 -10 10 -6 40.78 9.80 -10 10 -7 41.89 9.57 -10 10 -8 350.66 26.85 -10 10 -9 71.10 12.67 -10 10 -10 7.63 5.25 -10 10 -11 5.66 5.46 10 11 -4 457.83 38.43 10 11 -3 6.14 6.06 10 11 -2 15.17 7.57 10 11 -1 63.43 15.72 10 11 0 322.85 32.82 10 11 1 8.75 8.47 10 11 2 180.54 25.50 10 11 3 34.64 11.62 -10 11 -4 112.37 14.32 -10 11 -5 10.45 5.04 -10 11 -6 153.26 17.10 -10 11 -7 84.00 12.73 -10 11 -8 62.81 11.99 -10 12 -7 10.50 5.93 -10 12 -8 333.76 27.03 11 0 -16 0.46 3.80 11 0 -15 -0.10 3.46 11 0 -14 1.74 4.25 11 0 -13 540.03 31.89 11 0 -12 -5.28 4.16 11 0 -11 32.10 8.49 11 0 -10 -1.40 3.55 11 0 -9 601.17 33.43 11 0 -8 1.20 4.57 11 0 -7 497.67 31.14 11 0 -6 6.11 4.89 11 0 -5 8.60 11.28 11 0 -4 4.83 5.25 11 0 -3 304.36 25.13 11 0 -2 8.93 5.85 11 0 -1 6.75 5.26 11 0 0 8.55 5.91 11 0 1 330.28 25.11 -11 0 -1 398.22 22.96 11 0 2 2.73 3.51 -11 0 -2 6.84 3.73 -11 0 -3 220.24 17.60 -11 0 -4 4.42 3.81 -11 0 -5 229.25 18.96 -11 0 -6 0.48 2.90 -11 0 -7 482.92 28.17 -11 0 -8 2.00 3.39 -11 0 -9 14.38 5.68 -11 0 -10 2.75 3.59 -11 0 -11 388.57 27.20 -11 0 -12 -2.23 3.07 -11 0 -13 19.71 6.71 11 -1 -16 1.82 4.54 11 1 -16 2.00 5.09 11 -1 -15 218.28 20.33 11 1 -15 223.63 21.74 11 -1 -14 18.58 6.88 11 1 -14 11.03 6.67 11 -1 -13 10.83 5.69 11 1 -13 8.14 5.63 11 -1 -12 60.73 10.95 11 1 -12 51.55 10.85 11 -1 -11 319.81 24.46 11 1 -11 309.74 25.40 11 -1 -10 3.53 4.18 11 1 -10 6.21 5.35 11 -1 -9 185.62 18.17 11 1 -9 174.00 18.49 11 -1 -8 4.81 5.27 11 1 -8 1.33 3.68 11 -1 -7 109.26 14.76 11 1 -7 147.34 17.93 11 -1 -6 30.70 8.17 11 1 -6 1.86 3.74 11 -1 -5 650.40 34.92 11 1 -5 615.37 36.04 11 1 -4 7.82 4.58 11 -1 -4 9.95 5.33 -11 1 4 7.00 3.54 11 1 -3 -0.38 3.30 11 -1 -3 3.73 5.37 -11 1 3 -0.46 2.34 11 1 -2 12.59 6.54 11 -1 -2 21.78 6.73 -11 1 2 7.84 3.55 11 1 -1 617.27 35.83 -11 1 1 723.66 29.60 11 1 0 38.10 9.43 -11 1 0 37.22 7.10 11 1 1 96.95 14.09 -11 1 -1 126.79 12.99 11 1 2 81.96 13.59 -11 1 -2 113.69 12.71 -11 1 -3 548.18 27.74 -11 1 -4 88.88 11.31 -11 -1 -5 901.28 37.11 -11 1 -5 892.18 36.50 -11 -1 -6 12.99 5.10 -11 1 -6 13.55 5.61 -11 -1 -7 155.71 16.01 -11 1 -7 145.27 15.46 -11 1 -8 47.75 9.71 -11 -1 -8 36.69 8.23 -11 -1 -9 339.88 24.50 -11 1 -9 332.79 24.02 -11 -1 -10 61.46 11.07 -11 1 -11 4.41 3.86 -11 -1 -11 6.29 5.42 -11 1 -12 1.61 3.09 -11 -1 -12 1.27 3.25 -11 -1 -13 566.35 34.08 -11 1 -13 575.11 34.28 11 2 -15 3.58 5.03 11 2 -14 46.08 10.64 11 2 -13 504.57 33.17 11 2 -12 21.29 7.48 11 2 -11 107.08 15.14 11 2 -10 12.75 6.19 11 2 -9 193.63 20.25 11 2 -8 8.68 6.17 11 2 -7 408.53 30.31 11 2 -6 5.26 4.53 11 2 -5 109.58 15.84 11 2 -4 8.96 6.23 11 2 -3 952.40 46.53 -11 2 3 892.99 31.41 11 2 -2 -0.09 4.13 -11 2 2 -0.75 2.04 11 2 -1 17.85 7.14 -11 2 1 22.07 5.68 11 2 0 18.22 8.03 -11 2 0 31.87 6.60 11 2 1 615.86 37.33 -11 2 -1 713.90 30.77 -11 2 -2 8.19 4.43 11 2 2 10.60 4.96 11 2 3 263.53 24.26 -11 2 -3 285.75 20.13 -11 2 -4 30.36 7.22 -11 2 -5 373.23 23.70 -11 2 -6 -1.45 3.01 -11 2 -7 385.43 25.29 -11 2 -8 3.32 2.56 -11 -2 -8 4.91 4.69 -11 2 -9 44.91 9.27 -11 -2 -9 65.21 11.01 -11 -2 -10 56.63 10.16 -11 2 -10 55.64 10.47 -11 -2 -11 691.80 36.52 -11 2 -11 599.77 33.95 -11 2 -12 0.43 3.20 -11 -2 -12 -3.72 4.90 -11 2 -13 44.18 10.61 -11 -2 -13 60.19 10.99 11 3 -13 16.46 6.96 11 3 -12 15.80 7.22 11 3 -11 297.37 25.53 11 3 -10 -3.95 4.44 11 3 -9 253.56 24.15 11 3 -8 12.80 6.05 11 3 -7 145.58 18.38 11 3 -6 7.54 6.00 11 3 -5 610.45 37.71 11 3 -4 8.58 5.75 -11 3 3 1.99 2.26 11 3 -3 -1.93 3.51 -11 3 2 0.28 2.26 11 3 -2 -2.31 5.00 11 3 -1 578.29 36.94 -11 3 1 670.71 28.43 -11 3 0 11.51 4.42 11 3 0 5.36 6.23 11 3 1 37.44 9.71 -11 3 -1 44.43 8.20 -11 3 -2 18.75 5.40 11 3 2 19.07 7.05 11 3 3 542.42 35.71 -11 3 -3 603.58 29.09 -11 3 -4 51.98 9.09 -11 3 -5 720.54 33.00 -11 3 -6 0.39 2.71 -11 3 -7 133.05 14.99 -11 3 -8 7.19 3.39 -11 3 -9 715.32 35.76 -11 3 -10 6.60 5.65 -11 -3 -10 1.40 2.87 -11 3 -11 2.79 4.39 -11 -3 -11 -1.48 3.73 -11 3 -12 12.24 6.49 -11 -3 -12 0.31 3.14 -11 3 -13 586.55 34.94 11 4 -13 396.58 30.94 11 4 -12 20.70 8.78 11 4 -11 153.81 19.14 11 4 -10 51.02 11.57 11 4 -9 143.22 19.04 11 4 -8 0.22 3.77 11 4 -7 267.76 25.10 11 4 -6 32.62 10.13 11 4 -5 114.17 16.77 11 4 -4 5.40 5.99 11 4 -3 1118.36 53.43 -11 4 2 -0.61 2.52 11 4 -2 5.45 6.62 -11 4 1 24.91 6.02 11 4 -1 14.30 6.71 -11 4 0 11.96 4.32 11 4 0 25.71 8.91 11 4 1 391.51 31.52 -11 4 -1 432.71 23.80 -11 4 -2 1.24 2.20 11 4 2 2.34 4.05 11 4 3 38.85 10.03 -11 4 -3 57.33 9.28 -11 4 -4 10.80 4.57 -11 4 -5 135.66 14.82 -11 4 -6 -0.99 3.37 -11 4 -7 683.82 33.92 -11 4 -8 66.74 11.12 -11 4 -9 -0.11 2.95 -11 4 -10 -1.83 3.15 -11 4 -11 679.24 36.61 -11 4 -12 -0.46 3.28 -11 -4 -12 0.06 3.19 11 5 -12 12.80 6.69 11 5 -11 330.59 28.63 11 5 -10 14.84 8.15 11 5 -9 343.76 30.43 11 5 -8 1.73 3.88 11 5 -7 99.11 16.44 11 5 -6 4.32 6.00 11 5 -5 368.29 30.42 11 5 -4 11.14 5.90 11 5 -3 2.64 4.49 11 5 -2 28.03 9.32 -11 5 1 572.68 26.80 11 5 -1 508.45 36.78 -11 5 0 -0.90 2.91 11 5 0 -0.63 4.36 -11 5 -1 20.11 5.69 11 5 1 9.82 5.55 -11 5 -2 20.72 6.25 11 5 2 15.85 7.56 -11 5 -3 358.81 22.96 11 5 3 292.75 28.30 -11 5 -4 -0.24 2.63 -11 5 -5 178.98 17.19 -11 5 -6 16.37 6.22 -11 5 -7 67.98 11.08 -11 5 -8 71.87 11.69 -11 5 -9 386.33 26.54 -11 5 -10 4.14 3.53 -11 5 -11 7.11 5.74 -11 5 -12 35.39 9.74 11 6 -11 50.51 12.19 11 6 -10 -3.27 4.65 11 6 -9 260.65 26.65 11 6 -8 42.41 11.04 11 6 -7 249.86 27.44 11 6 -6 -0.48 4.13 11 6 -5 11.79 7.26 11 6 -4 13.12 7.57 11 6 -3 492.31 37.49 11 6 -2 7.31 6.29 11 6 -1 29.82 9.74 11 6 0 8.91 6.61 -11 6 -1 516.72 26.95 11 6 1 455.94 35.98 -11 6 -2 21.01 5.93 11 6 2 32.84 10.16 -11 6 -3 199.14 17.50 11 6 3 167.94 22.03 -11 6 -4 17.33 6.21 -11 6 -5 200.07 18.06 -11 6 -6 21.49 6.75 -11 6 -7 272.64 21.72 -11 6 -8 64.78 11.18 -11 6 -9 8.86 5.90 -11 6 -10 1.94 3.66 -11 6 -11 98.25 14.34 11 7 -9 123.46 19.34 11 7 -8 6.12 7.05 11 7 -7 118.62 18.72 11 7 -6 4.22 4.78 11 7 -5 442.74 36.00 11 7 -4 1.03 5.46 11 7 -3 15.01 8.72 11 7 -2 50.56 13.77 11 7 -1 676.56 45.28 11 7 0 26.89 9.53 11 7 1 73.95 15.67 -11 7 -2 15.18 5.64 11 7 2 9.54 6.32 -11 7 -3 308.03 21.88 11 7 3 266.84 28.48 -11 7 -4 6.34 2.97 -11 7 -5 324.52 23.21 -11 7 -6 14.43 6.50 -11 7 -7 44.61 9.23 -11 7 -8 -0.76 3.97 -11 7 -9 197.93 19.64 -11 7 -10 20.96 7.07 -11 7 -11 14.74 5.76 11 8 -7 351.29 32.60 11 8 -6 16.31 8.26 11 8 -5 15.95 8.05 11 8 -4 25.00 9.35 11 8 -3 295.94 30.42 11 8 -2 57.48 14.10 11 8 -1 9.64 8.05 11 8 0 46.61 12.96 11 8 1 220.59 25.97 11 8 2 8.13 7.80 -11 8 -3 211.35 18.54 11 8 3 190.88 25.31 -11 8 -4 45.46 8.93 -11 8 -5 94.26 12.78 -11 8 -6 -1.71 4.03 -11 8 -7 261.62 22.01 -11 8 -8 4.96 3.50 -11 8 -9 4.35 4.50 -11 8 -10 2.50 3.68 11 9 -4 79.33 17.01 11 9 -3 -3.09 5.40 11 9 -2 12.61 8.61 11 9 -1 308.56 32.55 11 9 0 33.38 11.40 11 9 1 3.32 6.20 11 9 2 83.56 17.08 11 9 3 67.28 15.16 -11 9 -4 -0.09 3.88 -11 9 -5 166.92 17.65 -11 9 -6 15.61 5.99 -11 9 -7 1.04 4.69 -11 9 -8 6.16 6.22 -11 9 -9 418.90 29.53 -11 10 -6 7.49 5.53 -11 10 -7 350.60 27.05 -11 10 -8 1.19 3.88 -12 0 3 -1.48 2.51 -12 0 2 34.14 7.07 -12 0 1 -1.12 2.77 -12 0 0 598.26 29.10 -12 0 -1 2.51 3.59 -12 0 -2 5.38 4.26 -12 0 -3 5.49 4.33 -12 0 -4 471.57 27.80 -12 0 -5 3.69 3.87 -12 0 -6 230.32 20.07 -12 0 -7 0.44 2.92 -12 0 -8 71.98 12.23 -12 0 -9 -0.81 4.61 12 1 -12 300.83 26.99 12 1 -11 3.11 5.02 12 1 -10 52.04 12.25 12 1 -9 -2.12 5.24 12 1 -8 328.39 27.55 12 1 -7 -1.55 5.27 12 1 -6 248.60 24.14 12 1 -5 16.53 7.86 12 1 -4 6.27 4.19 12 1 -3 18.10 8.17 12 1 -2 374.69 29.99 -12 1 2 485.93 25.36 -12 1 1 2.81 2.80 -12 1 0 10.96 5.29 -12 1 -1 41.23 8.12 -12 -1 -2 804.02 35.20 -12 1 -2 791.96 34.64 -12 -1 -3 -1.95 2.94 -12 1 -3 1.59 3.02 -12 -1 -4 86.22 12.10 -12 1 -4 95.92 12.66 -12 1 -5 22.32 6.92 -12 -1 -5 18.47 6.25 -12 -1 -6 206.01 19.40 -12 1 -6 211.73 19.08 -12 1 -7 3.51 4.20 -12 -1 -7 3.57 3.92 -12 -1 -8 378.44 26.75 -12 1 -8 382.67 26.77 -12 1 -9 1.39 3.79 -12 -1 -9 6.93 6.12 12 2 -12 13.90 7.03 12 2 -11 28.87 10.32 12 2 -10 258.16 25.82 12 2 -9 -5.01 4.78 12 2 -6 389.15 31.08 12 2 -5 1.16 5.05 12 2 -4 221.45 23.69 12 2 -3 4.36 5.29 12 2 -2 15.95 7.89 -12 2 1 -0.82 3.67 12 2 -1 11.30 6.75 12 2 0 414.38 32.31 -12 2 0 449.28 25.16 -12 2 -1 27.85 6.76 12 2 1 35.17 9.72 -12 2 -2 9.31 4.39 12 2 2 8.44 5.55 -12 2 -3 3.83 4.87 -12 2 -4 359.84 24.03 -12 2 -5 11.84 5.84 -12 -2 -5 20.55 6.66 -12 -2 -6 282.81 22.43 -12 2 -6 253.37 21.50 -12 -2 -7 1.42 3.89 -12 2 -8 52.83 10.39 -12 -2 -8 67.33 11.46 12 3 -11 -1.46 5.70 12 3 -10 43.57 11.46 12 3 -9 4.53 5.49 12 3 -8 382.60 31.94 12 3 -7 13.81 8.46 12 3 -6 253.95 25.46 12 3 -5 8.92 7.51 12 3 -4 201.66 23.31 12 3 -3 53.27 12.43 12 3 -2 366.09 31.20 -12 3 0 4.40 4.34 12 3 0 -1.38 4.28 -12 3 -1 8.68 4.03 12 3 1 5.18 6.69 12 3 2 313.73 28.73 -12 3 -2 381.84 24.29 -12 3 -3 4.62 4.24 -12 3 -4 168.26 16.79 -12 3 -5 -2.06 4.04 -12 3 -6 91.40 13.14 -12 3 -7 5.17 3.36 -12 -3 -8 522.18 31.77 -12 3 -8 469.31 30.06 -12 3 -9 5.69 4.84 12 4 -10 210.17 24.25 12 4 -9 34.41 10.31 12 4 -8 146.88 20.64 12 4 -7 8.38 5.69 12 4 -6 270.84 27.16 12 4 -5 2.32 6.23 12 4 -4 348.16 30.85 12 4 -3 14.38 7.65 12 4 -2 53.98 13.00 12 4 0 287.88 28.48 -12 4 -1 26.40 6.61 12 4 1 28.23 9.02 -12 4 -2 10.12 5.02 12 4 2 8.67 6.19 -12 4 -3 8.69 4.42 -12 4 -4 220.12 19.19 -12 4 -5 11.13 4.80 -12 4 -6 245.92 21.04 -12 4 -7 16.52 6.21 -12 4 -8 77.58 12.64 -12 4 -9 3.35 4.50 12 5 -8 203.60 24.75 12 5 -7 15.95 7.69 12 5 -6 289.00 28.97 12 5 -5 10.67 6.97 12 5 -4 68.78 14.69 12 5 -3 19.26 8.54 12 5 -2 400.86 34.33 12 5 -1 12.09 8.66 12 5 0 2.06 4.63 12 5 1 5.26 6.38 -12 5 -2 393.30 24.76 12 5 2 321.78 31.05 -12 5 -3 2.76 3.24 -12 5 -4 124.85 14.41 -12 5 -5 5.06 3.99 -12 5 -6 207.39 19.41 -12 5 -7 4.15 5.92 -12 5 -8 214.35 20.69 12 6 -5 6.04 7.56 12 6 -4 214.42 26.06 12 6 -3 27.38 10.92 12 6 -2 -4.29 6.26 12 6 -1 18.02 9.52 12 6 0 364.20 34.24 12 6 2 6.15 6.69 -12 6 -4 357.83 24.85 -12 6 -5 9.96 5.29 -12 6 -6 154.07 17.44 -12 6 -7 99.04 14.51 -12 6 -8 55.88 10.84 12 7 -2 233.90 27.67 12 7 -1 33.32 11.97 12 7 0 16.46 8.55 12 7 1 39.18 12.72 12 7 2 338.37 33.09 -12 7 -5 11.50 6.02 -12 7 -6 168.05 17.87 -12 7 -7 2.32 4.42 -13 0 0 3.47 4.77 -13 0 -1 6.60 5.08 -13 0 -2 2.62 4.76 -13 0 -3 483.14 29.03 -13 0 -4 1.56 3.84 -13 -1 1 4.37 3.55 -13 -1 0 9.62 4.61 -13 -1 -1 392.90 25.67 -13 1 -1 358.01 24.65 -13 1 -2 6.26 4.78 -13 -1 -2 7.42 4.85 -13 1 -3 -0.32 4.23 -13 -1 -3 -0.42 3.52 -13 1 -4 9.72 5.28 -13 2 -2 17.30 6.83 -13 -2 -2 10.17 5.06 -13 2 -3 389.75 25.99 -13 2 -4 17.50 6.68 TITL MS-MW-LaL1_Mo in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 0.71073 9.136581 14.109503 20.964092 90.0000 90.0519 90.0000 ZERR 3.00 0.000272 0.000344 0.000664 0.0000 0.0027 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H N O La UNIT 78.00 54.00 27.00 27.00 3.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' ; _shelx_hkl_checksum 3937 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp La01 La 0.33384(2) 0.24495(2) 0.39450(2) 0.01661(8) Uani 1 1 d . . O71 O 0.1270(3) 0.23036(15) 0.48097(12) 0.0322(6) Uani 1 1 d . . O72 O 0.2315(2) 0.09633(15) 0.46360(11) 0.0307(5) Uani 1 1 d . . O52 O 0.5935(2) 0.33249(14) 0.40123(10) 0.0244(5) Uani 1 1 d . . O62 O 0.5024(2) 0.23609(14) 0.28801(11) 0.0254(5) Uani 1 1 d . . O51 O 0.4341(2) 0.41274(15) 0.34724(10) 0.0236(5) Uani 1 1 d . . O61 O 0.2802(2) 0.28237(17) 0.27004(10) 0.0280(5) Uani 1 1 d . . O53 O 0.6630(2) 0.45492(15) 0.34648(10) 0.0285(5) Uani 1 1 d . . O73 O 0.0385(3) 0.10331(18) 0.52523(13) 0.0452(7) Uani 1 1 d . . N15 N 0.2894(3) 0.39932(16) 0.47276(11) 0.0202(5) Uani 1 1 d . . O63 O 0.4444(3) 0.30066(18) 0.19633(11) 0.0381(6) Uani 1 1 d . . N71 N 0.1301(3) 0.14204(18) 0.49065(13) 0.0286(6) Uani 1 1 d . . N11 N 0.0884(3) 0.17509(16) 0.34077(11) 0.0204(5) Uani 1 1 d . . N16 N 0.0957(3) 0.35955(16) 0.38034(11) 0.0189(5) Uani 1 1 d . . N12 N 0.3408(3) 0.07044(16) 0.33701(11) 0.0207(5) Uani 1 1 d . . N13 N 0.5396(3) 0.11128(16) 0.42860(12) 0.0205(5) Uani 1 1 d . . C30 C 0.1975(3) 0.4749(2) 0.45270(14) 0.0200(6) Uani 1 1 d . . N61 N 0.4104(3) 0.27333(18) 0.24976(12) 0.0249(6) Uani 1 1 d . . N14 N 0.4642(3) 0.25262(15) 0.51207(12) 0.0195(6) Uani 1 1 d . . N51 N 0.5657(3) 0.40105(17) 0.36457(11) 0.0208(5) Uani 1 1 d . . C32 C 0.1099(3) 0.6352(2) 0.45507(16) 0.0274(7) Uani 1 1 d . . H32 H 0.1115 0.6954 0.4732 0.033 Uiso 1 1 calc R U C35 C 0.0987(3) 0.45459(19) 0.40347(14) 0.0204(6) Uani 1 1 d . . C31 C 0.2019(3) 0.5658(2) 0.47813(15) 0.0247(7) Uani 1 1 d . . H31 H 0.2671 0.5799 0.5108 0.030 Uiso 1 1 calc R U C25 C 0.6377(3) 0.1916(2) 0.58789(15) 0.0255(7) Uani 1 1 d . . H25 H 0.7071 0.1460 0.5984 0.031 Uiso 1 1 calc R U C27 C 0.5046(3) 0.3318(2) 0.61197(14) 0.0255(7) Uani 1 1 d . . H27 H 0.4812 0.3816 0.6391 0.031 Uiso 1 1 calc R U C13 C -0.1617(3) 0.1079(2) 0.27914(15) 0.0275(7) Uani 1 1 d . . H13 H -0.2450 0.0860 0.2583 0.033 Uiso 1 1 calc R U C16 C 0.2233(3) 0.0345(2) 0.31368(14) 0.0240(7) Uani 1 1 d . . H16 H 0.2247 -0.0270 0.2977 0.029 Uiso 1 1 calc R U C22 C 0.5726(3) 0.03530(19) 0.38647(14) 0.0219(6) Uani 1 1 d . . C17 C 0.4711(3) 0.0158(2) 0.33788(14) 0.0225(6) Uani 1 1 d . . C23 C 0.5947(3) 0.1110(2) 0.48474(14) 0.0233(7) Uani 1 1 d . . H23 H 0.6550 0.0611 0.4971 0.028 Uiso 1 1 calc R U C29 C 0.3361(3) 0.3978(2) 0.53051(14) 0.0231(6) Uani 1 1 d . . H29 H 0.3052 0.4442 0.5590 0.028 Uiso 1 1 calc R U C36 C -0.0267(3) 0.3236(2) 0.36429(14) 0.0229(7) Uani 1 1 d . . H36 H -0.1122 0.3587 0.3691 0.027 Uiso 1 1 calc R U C24 C 0.5646(3) 0.1876(2) 0.52984(14) 0.0205(6) Uani 1 1 d . . C15 C 0.0867(3) 0.0891(2) 0.31189(13) 0.0210(6) Uani 1 1 d . . C19 C 0.6279(4) -0.1085(2) 0.29923(17) 0.0333(8) Uani 1 1 d . . H19 H 0.6471 -0.1566 0.2701 0.040 Uiso 1 1 calc R U C21 C 0.7006(3) -0.0181(2) 0.39126(15) 0.0269(7) Uani 1 1 d . . H21 H 0.7680 -0.0051 0.4233 0.032 Uiso 1 1 calc R U C26 C 0.6056(4) 0.2650(2) 0.63012(17) 0.0312(8) Uani 1 1 d . . H26 H 0.6515 0.2686 0.6697 0.037 Uiso 1 1 calc R U C11 C -0.0339(3) 0.2271(2) 0.33824(15) 0.0223(6) Uani 1 1 d . . C34 C 0.0082(3) 0.5260(2) 0.37952(15) 0.0258(7) Uani 1 1 d . . H34 H -0.0564 0.5130 0.3464 0.031 Uiso 1 1 calc R U C28 C 0.4372(3) 0.3242(2) 0.55232(14) 0.0208(6) Uani 1 1 d . . C18 C 0.5017(4) -0.0560(2) 0.29336(15) 0.0284(7) Uani 1 1 d . . H18 H 0.4370 -0.0679 0.2601 0.034 Uiso 1 1 calc R U C20 C 0.7272(4) -0.0908(2) 0.34809(17) 0.0330(8) Uani 1 1 d . . H20 H 0.8113 -0.1276 0.3519 0.040 Uiso 1 1 calc R U C14 C -0.0357(3) 0.0544(2) 0.28022(14) 0.0267(7) Uani 1 1 d . . H14 H -0.0326 -0.0043 0.2600 0.032 Uiso 1 1 calc R U C33 C 0.0151(3) 0.6160(2) 0.40513(16) 0.0289(7) Uani 1 1 d . . H33 H -0.0442 0.6638 0.3888 0.035 Uiso 1 1 calc R U C12 C -0.1621(3) 0.1947(2) 0.30946(15) 0.0264(7) Uani 1 1 d . . H12 H -0.2469 0.2312 0.3107 0.032 Uiso 1 1 calc R U loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 La01 0.01710(12) 0.01622(11) 0.01651(12) -0.00050(6) -0.00245(7) 0.00226(6) O71 0.0394(14) 0.0240(11) 0.0331(13) 0.0037(10) 0.0058(11) 0.0066(10) O72 0.0332(13) 0.0271(11) 0.0317(12) 0.0003(10) 0.0080(10) 0.0053(10) O52 0.0254(11) 0.0237(11) 0.0241(11) 0.0039(9) -0.0071(9) -0.0008(9) O62 0.0185(11) 0.0272(11) 0.0305(13) -0.0005(9) -0.0028(10) 0.0035(9) O51 0.0199(11) 0.0240(11) 0.0270(11) -0.0001(9) -0.0013(9) 0.0037(9) O61 0.0182(11) 0.0414(12) 0.0244(12) -0.0001(10) -0.0021(9) -0.0021(10) O53 0.0253(12) 0.0283(11) 0.0319(12) 0.0025(10) -0.0012(10) -0.0054(10) O73 0.0379(14) 0.0456(14) 0.0520(16) 0.0157(13) 0.0145(13) -0.0029(12) N15 0.0203(13) 0.0191(12) 0.0211(13) 0.0008(10) 0.0006(10) 0.0001(10) O63 0.0421(14) 0.0487(15) 0.0236(13) 0.0024(11) 0.0069(11) -0.0088(12) N71 0.0291(15) 0.0315(15) 0.0251(14) 0.0027(12) -0.0007(12) 0.0034(12) N11 0.0191(13) 0.0217(12) 0.0205(13) 0.0012(10) -0.0005(10) -0.0013(10) N16 0.0186(13) 0.0194(12) 0.0186(12) 0.0006(10) -0.0013(10) 0.0022(10) N12 0.0240(13) 0.0198(12) 0.0182(12) 0.0005(10) 0.0005(11) 0.0015(11) N13 0.0204(13) 0.0199(12) 0.0213(13) 0.0022(10) 0.0017(11) 0.0019(10) C30 0.0178(15) 0.0225(15) 0.0198(15) 0.0001(12) 0.0042(12) 0.0024(12) N61 0.0281(15) 0.0265(13) 0.0199(14) -0.0043(11) -0.0010(12) -0.0053(12) N14 0.0205(14) 0.0216(13) 0.0166(13) 0.0016(10) -0.0018(11) -0.0002(10) N51 0.0237(14) 0.0193(12) 0.0194(13) -0.0026(10) -0.0010(11) -0.0014(11) C32 0.0268(17) 0.0195(15) 0.0359(18) -0.0015(13) 0.0080(14) 0.0025(13) C35 0.0193(15) 0.0192(14) 0.0227(15) -0.0008(12) 0.0030(12) 0.0004(12) C31 0.0230(16) 0.0255(16) 0.0255(16) -0.0051(13) -0.0006(13) -0.0025(13) C25 0.0241(16) 0.0272(16) 0.0253(16) 0.0076(13) -0.0053(13) 0.0017(13) C27 0.0300(17) 0.0278(16) 0.0188(15) -0.0016(13) -0.0019(13) -0.0012(14) C13 0.0228(16) 0.0330(17) 0.0267(17) 0.0013(14) -0.0055(13) -0.0087(14) C16 0.0318(17) 0.0183(14) 0.0219(16) -0.0019(12) 0.0022(13) -0.0014(13) C22 0.0254(16) 0.0166(14) 0.0236(16) 0.0032(12) 0.0047(13) 0.0045(12) C17 0.0261(16) 0.0173(14) 0.0242(16) 0.0030(12) 0.0042(13) 0.0022(13) C23 0.0203(15) 0.0223(15) 0.0272(16) 0.0057(13) -0.0019(13) 0.0049(12) C29 0.0244(16) 0.0221(15) 0.0230(16) -0.0050(12) -0.0021(13) -0.0009(13) C36 0.0188(15) 0.0230(15) 0.0267(16) 0.0037(13) -0.0001(13) 0.0028(13) C24 0.0197(15) 0.0214(14) 0.0203(15) 0.0050(12) 0.0008(12) -0.0001(12) C15 0.0252(16) 0.0197(14) 0.0181(15) -0.0008(12) -0.0014(12) -0.0051(12) C19 0.040(2) 0.0251(16) 0.0344(19) -0.0046(14) 0.0120(16) 0.0053(15) C21 0.0295(17) 0.0249(15) 0.0264(17) 0.0060(13) 0.0031(14) 0.0050(14) C26 0.0347(19) 0.0393(19) 0.0197(16) 0.0046(14) -0.0070(15) -0.0035(15) C11 0.0196(16) 0.0221(14) 0.0251(17) 0.0046(13) -0.0001(13) -0.0010(13) C34 0.0247(16) 0.0243(16) 0.0284(17) 0.0034(13) 0.0012(13) 0.0028(13) C28 0.0196(15) 0.0219(15) 0.0208(15) 0.0005(12) -0.0006(12) -0.0016(12) C18 0.0365(19) 0.0228(15) 0.0260(17) -0.0053(13) 0.0035(14) 0.0012(14) C20 0.0333(19) 0.0265(17) 0.039(2) 0.0040(15) 0.0096(16) 0.0093(15) C14 0.0306(17) 0.0264(16) 0.0231(16) -0.0032(13) -0.0021(14) -0.0063(14) C33 0.0257(17) 0.0228(15) 0.0382(19) 0.0078(14) 0.0057(15) 0.0057(13) C12 0.0211(16) 0.0289(16) 0.0290(17) 0.0069(14) -0.0052(13) -0.0020(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' N N 0.0061 0.0033 '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' La La -0.2871 2.4523 '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 O71 La01 O52 129.59(7) O71 La01 N11 70.19(8) O52 La01 N11 158.02(7) O71 La01 O61 123.41(7) O52 La01 O61 96.93(6) N11 La01 O61 61.22(7) O71 La01 O72 47.41(6) O52 La01 O72 129.31(7) N11 La01 O72 69.73(7) O61 La01 O72 127.07(7) O71 La01 O62 166.41(8) O52 La01 O62 64.00(7) N11 La01 O62 96.42(7) O61 La01 O62 47.07(7) O72 La01 O62 126.78(6) O71 La01 O51 124.12(6) O52 La01 O51 47.20(6) N11 La01 O51 116.46(7) O61 La01 O51 62.66(6) O72 La01 O51 168.78(6) O62 La01 O51 63.27(6) O71 La01 N16 63.08(7) O52 La01 N16 116.04(7) N11 La01 N16 60.52(7) O61 La01 N16 68.63(7) O72 La01 N16 103.93(7) O62 La01 N16 113.00(7) O51 La01 N16 73.37(6) O71 La01 N14 72.21(8) O52 La01 N14 63.25(7) N11 La01 N14 138.72(7) O61 La01 N14 159.76(7) O72 La01 N14 72.54(7) O62 La01 N14 119.69(7) O51 La01 N14 98.45(6) N16 La01 N14 114.88(7) O71 La01 N12 104.47(7) O52 La01 N12 114.60(7) N11 La01 N12 60.50(7) O61 La01 N12 75.86(7) O72 La01 N12 63.20(6) O62 La01 N12 65.42(6) O51 La01 N12 127.75(6) N16 La01 N12 120.23(7) N14 La01 N12 114.88(7) O71 La01 N13 104.96(7) O52 La01 N13 72.42(6) N11 La01 N13 115.16(7) O61 La01 N13 120.42(7) O72 La01 N13 64.44(7) O62 La01 N13 78.15(7) O51 La01 N13 117.34(6) N16 La01 N13 167.90(7) N14 La01 N13 59.85(7) N12 La01 N13 58.90(7) O71 La01 N15 62.94(7) O52 La01 N15 74.65(6) N11 La01 N15 114.50(7) O61 La01 N15 113.14(7) O72 La01 N15 103.98(7) O62 La01 N15 127.54(6) O51 La01 N15 65.15(6) N16 La01 N15 58.56(7) N14 La01 N15 59.82(7) N12 La01 N15 167.00(7) N13 La01 N15 119.13(7) N71 O71 La01 99.93(17) N71 O72 La01 95.64(16) N51 O52 La01 98.24(15) N61 O62 La01 97.12(16) N51 O51 La01 95.85(15) N61 O61 La01 97.70(17) C29 N15 C30 119.2(2) C29 N15 La01 119.93(19) C30 N15 La01 120.27(18) O73 N71 O71 121.1(3) O73 N71 O72 122.3(3) O71 N71 O72 116.6(2) C11 N11 C15 117.6(3) C11 N11 La01 120.72(19) C15 N11 La01 121.55(18) C36 N16 C35 118.8(2) C36 N16 La01 119.54(19) C35 N16 La01 120.34(18) C16 N12 C17 119.5(2) C16 N12 La01 120.13(19) C17 N12 La01 120.14(18) C23 N13 C22 119.1(2) C23 N13 La01 120.55(19) C22 N13 La01 119.97(18) C31 C30 C35 119.3(3) C31 C30 N15 124.2(3) C35 C30 N15 116.4(2) O63 N61 O61 120.8(3) O63 N61 O62 122.5(3) O61 N61 O62 116.6(2) C28 N14 C24 117.6(3) C28 N14 La01 121.13(19) C24 N14 La01 121.11(18) O53 N51 O52 121.1(2) O53 N51 O51 121.2(2) O52 N51 O51 117.7(2) C31 C32 C33 120.5(3) C31 C32 H32 119.8 C33 C32 H32 119.8 C34 C35 C30 119.9(3) C34 C35 N16 123.0(3) C30 C35 N16 117.1(3) C32 C31 C30 120.3(3) C32 C31 H31 119.9 C30 C31 H31 119.9 C24 C25 C26 119.0(3) C24 C25 H25 120.5 C26 C25 H25 120.5 C26 C27 C28 119.4(3) C26 C27 H27 120.3 C28 C27 H27 120.3 C14 C13 C12 118.8(3) C14 C13 H13 120.6 C12 C13 H13 120.6 N12 C16 C15 120.9(3) N12 C16 H16 119.5 C15 C16 H16 119.5 C21 C22 C17 119.9(3) C21 C22 N13 122.7(3) C17 C22 N13 117.3(3) C22 C17 C18 119.4(3) C22 C17 N12 117.2(2) C18 C17 N12 123.4(3) N13 C23 C24 121.2(3) N13 C23 H23 119.4 C24 C23 H23 119.4 N15 C29 C28 121.1(3) N15 C29 H29 119.5 C28 C29 H29 119.5 N16 C36 C11 120.5(3) N16 C36 H36 119.8 C11 C36 H36 119.8 N14 C24 C25 122.7(3) N14 C24 C23 116.9(3) C25 C24 C23 120.4(3) N11 C15 C14 122.6(3) N11 C15 C16 116.7(3) C14 C15 C16 120.7(3) C18 C19 C20 121.0(3) C18 C19 H19 119.5 C20 C19 H19 119.5 C20 C21 C22 120.0(3) C20 C21 H21 120.0 C22 C21 H21 120.0 C27 C26 C25 118.4(3) C27 C26 H26 120.8 C25 C26 H26 120.8 N11 C11 C12 122.6(3) N11 C11 C36 117.2(3) C12 C11 C36 120.1(3) C33 C34 C35 119.8(3) C33 C34 H34 120.1 C35 C34 H34 120.1 N14 C28 C27 122.7(3) N14 C28 C29 117.1(3) C27 C28 C29 120.2(3) C19 C18 C17 119.7(3) C19 C18 H18 120.1 C17 C18 H18 120.1 C21 C20 C19 119.9(3) C21 C20 H20 120.1 C19 C20 H20 120.1 C13 C14 C15 119.1(3) C13 C14 H14 120.4 C15 C14 H14 120.4 C34 C33 C32 120.1(3) C34 C33 H33 119.9 C32 C33 H33 119.9 C13 C12 C11 119.1(3) C13 C12 H12 120.4 C11 C12 H12 120.4 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance La01 O71 2.628(2) La01 O52 2.679(2) La01 N11 2.695(2) La01 O61 2.706(2) La01 O72 2.715(2) La01 O62 2.716(2) La01 O51 2.725(2) La01 N16 2.727(2) La01 N14 2.738(3) La01 N12 2.742(2) La01 N13 2.757(2) La01 N15 2.757(2) O71 N71 1.263(3) O72 N71 1.264(3) O52 N51 1.261(3) O62 N61 1.274(4) O51 N51 1.266(3) O61 N61 1.270(3) O53 N51 1.230(3) O73 N71 1.235(3) N15 C29 1.283(4) N15 C30 1.420(4) O63 N61 1.225(3) N11 C11 1.338(4) N11 C15 1.355(4) N16 C36 1.273(4) N16 C35 1.426(3) N12 C16 1.284(4) N12 C17 1.418(4) N13 C23 1.280(4) N13 C22 1.421(4) C30 C31 1.390(4) C30 C35 1.400(4) N14 C28 1.339(4) N14 C24 1.350(4) C32 C31 1.377(4) C32 C33 1.385(5) C32 H32 0.9300 C35 C34 1.396(4) C31 H31 0.9300 C25 C24 1.389(4) C25 C26 1.393(5) C25 H25 0.9300 C27 C26 1.373(5) C27 C28 1.398(4) C27 H27 0.9300 C13 C14 1.377(4) C13 C12 1.380(4) C13 H13 0.9300 C16 C15 1.467(4) C16 H16 0.9300 C22 C21 1.395(4) C22 C17 1.404(4) C17 C18 1.406(4) C23 C24 1.463(4) C23 H23 0.9300 C29 C28 1.463(4) C29 H29 0.9300 C36 C11 1.469(4) C36 H36 0.9300 C15 C14 1.389(4) C19 C18 1.376(4) C19 C20 1.390(5) C19 H19 0.9300 C21 C20 1.390(4) C21 H21 0.9300 C26 H26 0.9300 C11 C12 1.394(4) C34 C33 1.380(4) C34 H34 0.9300 C18 H18 0.9300 C20 H20 0.9300 C14 H14 0.9300 C33 H33 0.9300 C12 H12 0.9300 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 La01 O71 N71 O73 -173.7(2) La01 O71 N71 O72 6.8(3) La01 O72 N71 O73 174.0(3) La01 O72 N71 O71 -6.5(3) C29 N15 C30 C31 29.2(4) La01 N15 C30 C31 -159.7(2) C29 N15 C30 C35 -151.7(3) La01 N15 C30 C35 19.4(3) La01 O61 N61 O63 -166.8(2) La01 O61 N61 O62 12.2(3) La01 O62 N61 O63 166.9(2) La01 O62 N61 O61 -12.1(3) La01 O52 N51 O53 -170.2(2) La01 O52 N51 O51 10.0(2) La01 O51 N51 O53 170.5(2) La01 O51 N51 O52 -9.8(2) C31 C30 C35 C34 1.4(4) N15 C30 C35 C34 -177.7(2) C31 C30 C35 N16 -178.2(2) N15 C30 C35 N16 2.6(4) C36 N16 C35 C34 -36.7(4) La01 N16 C35 C34 156.5(2) C36 N16 C35 C30 142.9(3) La01 N16 C35 C30 -23.9(3) C33 C32 C31 C30 -1.8(4) C35 C30 C31 C32 0.0(4) N15 C30 C31 C32 179.0(3) C17 N12 C16 C15 -179.8(2) La01 N12 C16 C15 5.7(4) C23 N13 C22 C21 -26.2(4) La01 N13 C22 C21 161.2(2) C23 N13 C22 C17 154.8(3) La01 N13 C22 C17 -17.8(3) C21 C22 C17 C18 -1.7(4) N13 C22 C17 C18 177.3(2) C21 C22 C17 N12 177.8(3) N13 C22 C17 N12 -3.2(4) C16 N12 C17 C22 -151.5(3) La01 N12 C17 C22 23.0(3) C16 N12 C17 C18 28.0(4) La01 N12 C17 C18 -157.6(2) C22 N13 C23 C24 179.8(3) La01 N13 C23 C24 -7.6(4) C30 N15 C29 C28 -176.7(2) La01 N15 C29 C28 12.2(4) C35 N16 C36 C11 177.9(3) La01 N16 C36 C11 -15.2(4) C28 N14 C24 C25 1.1(4) La01 N14 C24 C25 177.1(2) C28 N14 C24 C23 -178.9(2) La01 N14 C24 C23 -2.9(3) C26 C25 C24 N14 0.7(4) C26 C25 C24 C23 -179.3(3) N13 C23 C24 N14 7.1(4) N13 C23 C24 C25 -172.9(3) C11 N11 C15 C14 0.2(4) La01 N11 C15 C14 -175.6(2) C11 N11 C15 C16 178.3(3) La01 N11 C15 C16 2.4(3) N12 C16 C15 N11 -5.5(4) N12 C16 C15 C14 172.6(3) C17 C22 C21 C20 -0.3(4) N13 C22 C21 C20 -179.2(3) C28 C27 C26 C25 0.2(5) C24 C25 C26 C27 -1.3(5) C15 N11 C11 C12 2.4(4) La01 N11 C11 C12 178.3(2) C15 N11 C11 C36 -174.3(3) La01 N11 C11 C36 1.6(3) N16 C36 C11 N11 9.2(4) N16 C36 C11 C12 -167.6(3) C30 C35 C34 C33 -1.0(4) N16 C35 C34 C33 178.7(3) C24 N14 C28 C27 -2.3(4) La01 N14 C28 C27 -178.3(2) C24 N14 C28 C29 175.6(2) La01 N14 C28 C29 -0.3(3) C26 C27 C28 N14 1.7(5) C26 C27 C28 C29 -176.2(3) N15 C29 C28 N14 -8.0(4) N15 C29 C28 C27 170.0(3) C20 C19 C18 C17 -0.9(5) C22 C17 C18 C19 2.3(4) N12 C17 C18 C19 -177.2(3) C22 C21 C20 C19 1.7(5) C18 C19 C20 C21 -1.0(5) C12 C13 C14 C15 0.2(4) N11 C15 C14 C13 -1.5(4) C16 C15 C14 C13 -179.5(3) C35 C34 C33 C32 -0.9(4) C31 C32 C33 C34 2.3(5) C14 C13 C12 C11 2.3(4) N11 C11 C12 C13 -3.7(5) C36 C11 C12 C13 172.9(3)