#------------------------------------------------------------------------------ #$Date: 2020-10-06 11:48:21 +0300 (Tue, 06 Oct 2020) $ #$Revision: 257536 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/51/7705167.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_7705167 loop_ _publ_author_name 'He, Zhiyuan' 'Xue, Xiaolian' 'Liu, Yilan' 'Yu, Na' 'Krogman, Jeremy P.' _publ_section_title ; Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes. ; _journal_issue 36 _journal_name_full 'Dalton transactions (Cambridge, England : 2003)' _journal_page_first 12586 _journal_page_last 12591 _journal_paper_doi 10.1039/d0dt00570c _journal_volume 49 _journal_year 2020 _chemical_formula_moiety 'C42 H82 Cl4 Mn2 N6 Si6' _chemical_formula_sum 'C42 H82 Cl4 Mn2 N6 Si6' _chemical_formula_weight 1091.35 _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' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2019-10-15 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2020-02-14 deposited with the CCDC. 2020-08-05 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 106.756(6) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 14.052(3) _cell_length_b 13.466(2) _cell_length_c 16.318(2) _cell_measurement_reflns_used 3227 _cell_measurement_temperature 150(2) _cell_measurement_theta_max 26.36 _cell_measurement_theta_min 2.724 _cell_volume 2956.7(9) _computing_cell_refinement 'SAINT v8.37A (Bruker, 2015)' _computing_data_reduction 'SAINT v8.37A (Bruker, 2015)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_temperature 150.0 _diffrn_measured_fraction_theta_full 0.991 _diffrn_measured_fraction_theta_max 0.991 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0943 _diffrn_reflns_av_unetI/netI 0.1195 _diffrn_reflns_Laue_measured_fraction_full 0.991 _diffrn_reflns_Laue_measured_fraction_max 0.991 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_number 19446 _diffrn_reflns_point_group_measured_fraction_full 0.991 _diffrn_reflns_point_group_measured_fraction_max 0.991 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.020 _diffrn_reflns_theta_min 2.267 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.762 _exptl_absorpt_correction_T_max 0.0276 _exptl_absorpt_correction_T_min 0.0101 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0774 before and 0.0592 after correction. The Ratio of minimum to maximum transmission is 0.3659. The \l/2 correction factor is Not present.' _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.226 _exptl_crystal_description block _exptl_crystal_F_000 1156 _exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: Diethyl Ether' _exptl_crystal_size_max 0.26 _exptl_crystal_size_mid 0.17 _exptl_crystal_size_min 0.16 _refine_diff_density_max 1.436 _refine_diff_density_min -0.361 _refine_diff_density_rms 0.099 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.994 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 314 _refine_ls_number_reflns 5774 _refine_ls_number_restraints 36 _refine_ls_restrained_S_all 0.993 _refine_ls_R_factor_all 0.1238 _refine_ls_R_factor_gt 0.0669 _refine_ls_shift/su_max 0.005 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0919P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1612 _refine_ls_wR_factor_ref 0.1937 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3395 _reflns_number_total 5774 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL mo_hzy2361_0m_a.res in P2(1)/n mo_hzy2361_0m.res created by SHELXL-2018/3 at 14:12:34 on 15-Oct-2019 REM Old TITL mo_HZY2361_0m in P2(1)/n REM SHELXT solution in P2(1)/n: R1 0.167, Rweak 0.019, Alpha 0.035 REM 0.304 for 253 systematic absences, Orientation as input REM Formula found by SHELXT: C21 N3 Si3 Cl2 Mn CELL 0.71073 14.0525 13.4664 16.3183 90 106.756 90 ZERR 2 0.0027 0.0022 0.0023 0 0.006 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H Cl Mn N Si UNIT 84 164 8 4 12 12 SADI 0.04 C131 C133 C131 C132 C133 C132 C14 C13 C14 C15 C13 C15 SADI C12 N2 C12 C131 C12 C133 C12 C132 C12 C14 C12 C13 C12 C15 L.S. 10 PLAN 20 SIZE 0.16 0.26 0.17 TEMP -123.15 list 4 fmap 2 53 acta ABIN OMIT -11 0 7 OMIT 7 3 6 OMIT -11 4 11 OMIT -1 1 2 OMIT 8 1 5 OMIT 7 1 8 OMIT -3 0 17 OMIT -10 2 5 OMIT 7 2 7 OMIT 5 2 13 OMIT -10 1 1 OMIT 9 1 0 OMIT 7 0 9 OMIT -1 2 1 OMIT 0 0 2 OMIT 3 2 3 OMIT -11 0 5 OMIT -1 4 1 OMIT 0 1 5 REM REM REM WGHT 0.091900 FVAR 0.44155 0.64818 MN1 4 0.545965 0.576103 0.430538 11.00000 0.03577 0.03198 = 0.03546 0.00057 0.00928 -0.00053 CL1 3 0.385873 0.486097 0.418269 11.00000 0.02415 0.03610 = 0.02957 0.01159 0.00595 -0.00287 SI1 6 0.608080 0.460387 0.325892 11.00000 0.03771 0.03576 = 0.03863 -0.00436 0.00870 -0.00146 SI3 6 0.480217 0.790844 0.339755 11.00000 0.04062 0.03446 = 0.03870 0.00344 0.00788 0.00290 CL2 3 0.735780 0.503321 0.294279 11.00000 0.05220 0.06257 = 0.06448 -0.01553 0.02793 -0.01875 SI2 6 0.678402 0.769599 0.472260 11.00000 0.03759 0.03481 = 0.04031 0.00066 0.00609 -0.00222 N3 5 0.566418 0.720681 0.412561 11.00000 0.04028 0.03096 = 0.03576 0.00346 0.00735 -0.00271 N2 5 0.617603 0.325601 0.328323 11.00000 0.04148 0.03349 = 0.04165 -0.00241 0.00625 0.00376 N1 5 0.527234 0.409463 0.224919 11.00000 0.03976 0.03250 = 0.03662 -0.00102 0.00728 -0.00179 C1 1 0.549679 0.316146 0.252492 11.00000 0.03603 0.03911 = 0.03547 -0.00040 0.01048 0.00239 C2 1 0.507065 0.224010 0.208052 11.00000 0.03934 0.03400 = 0.03919 0.00085 0.00942 0.00365 C12 1 0.679089 0.250280 0.389275 11.00000 0.04233 0.04287 = 0.04156 0.00189 0.00240 0.00457 C16 1 0.777187 0.672837 0.500772 11.00000 0.03865 0.05322 = 0.05055 0.00168 0.00551 0.00465 AFIX 137 H16A 2 0.761725 0.625032 0.540381 11.00000 -1.50000 H16B 2 0.841383 0.704291 0.528142 11.00000 -1.50000 H16C 2 0.780430 0.638276 0.448794 11.00000 -1.50000 AFIX 0 C21 1 0.357066 0.725346 0.306132 11.00000 0.04123 0.05409 = 0.04722 0.00846 0.00275 -0.00212 AFIX 137 H21A 2 0.364809 0.661036 0.280679 11.00000 -1.50000 H21B 2 0.309034 0.765938 0.263945 11.00000 -1.50000 H21C 2 0.333089 0.714881 0.356225 11.00000 -1.50000 AFIX 0 C8 1 0.449676 0.449672 0.150311 11.00000 0.03725 0.04522 = 0.03778 0.00142 0.00690 0.00009 C20 1 0.517286 0.817048 0.240267 11.00000 0.05540 0.04686 = 0.04512 0.00572 0.01140 -0.00584 AFIX 137 H20A 2 0.568058 0.869213 0.252037 11.00000 -1.50000 H20B 2 0.459000 0.839117 0.194731 11.00000 -1.50000 H20C 2 0.544163 0.756503 0.222059 11.00000 -1.50000 AFIX 0 C3 1 0.420766 0.182110 0.218996 11.00000 0.04068 0.04278 = 0.05006 -0.00011 0.01151 -0.00093 AFIX 43 H3 2 0.388680 0.211665 0.256793 11.00000 -1.20000 AFIX 0 C10 1 0.473162 0.560640 0.149304 11.00000 0.05978 0.04781 = 0.04048 0.00430 0.00734 -0.00230 AFIX 137 H10A 2 0.470446 0.591008 0.203160 11.00000 -1.50000 H10B 2 0.424234 0.592598 0.101333 11.00000 -1.50000 H10C 2 0.539835 0.569323 0.142774 11.00000 -1.50000 AFIX 0 C17 1 0.668458 0.821922 0.575617 11.00000 0.05486 0.05882 = 0.05322 -0.01138 0.00443 0.00026 AFIX 137 H17A 2 0.616730 0.873133 0.563903 11.00000 -1.50000 H17B 2 0.732260 0.851282 0.607325 11.00000 -1.50000 H17C 2 0.651171 0.768773 0.609793 11.00000 -1.50000 AFIX 0 C9 1 0.456118 0.402028 0.067215 11.00000 0.06760 0.05221 = 0.03336 0.00012 0.00617 0.00204 AFIX 137 H9A 2 0.523887 0.408933 0.062794 11.00000 -1.50000 H9B 2 0.409501 0.435118 0.018448 11.00000 -1.50000 H9C 2 0.439101 0.331439 0.067047 11.00000 -1.50000 AFIX 0 C7 1 0.554251 0.180454 0.152308 11.00000 0.04396 0.04777 = 0.05603 -0.01338 0.01437 -0.00600 AFIX 43 H7 2 0.612588 0.209469 0.144388 11.00000 -1.20000 AFIX 0 C19 1 0.454864 0.914242 0.382977 11.00000 0.06422 0.04287 = 0.05442 0.00642 0.01015 0.00778 AFIX 137 H19A 2 0.427796 0.903672 0.431324 11.00000 -1.50000 H19B 2 0.406701 0.951288 0.337933 11.00000 -1.50000 H19C 2 0.516874 0.952126 0.402218 11.00000 -1.50000 AFIX 0 C6 1 0.514506 0.093497 0.108246 11.00000 0.05262 0.04908 = 0.05914 -0.01674 0.00609 -0.00040 AFIX 43 H6 2 0.546872 0.062540 0.071289 11.00000 -1.20000 AFIX 0 C5 1 0.428600 0.052879 0.118460 11.00000 0.05656 0.03798 = 0.06193 -0.00602 -0.00004 -0.00538 AFIX 43 H5 2 0.400892 -0.005118 0.087570 11.00000 -1.20000 AFIX 0 C11 1 0.347470 0.434747 0.162171 11.00000 0.04494 0.04792 = 0.06781 0.00791 0.01110 0.00247 AFIX 137 H11A 2 0.333596 0.363528 0.163365 11.00000 -1.50000 H11B 2 0.297312 0.465931 0.114594 11.00000 -1.50000 H11C 2 0.345472 0.465140 0.216218 11.00000 -1.50000 AFIX 0 C4 1 0.382564 0.097062 0.174147 11.00000 0.04603 0.04633 = 0.06306 0.01138 -0.00374 -0.00867 AFIX 43 H4 2 0.323843 0.068234 0.181447 11.00000 -1.20000 AFIX 0 C18 1 0.727965 0.870423 0.415772 11.00000 0.04464 0.06278 = 0.06876 0.00694 0.00167 -0.01735 AFIX 137 H18A 2 0.741281 0.842930 0.364569 11.00000 -1.50000 H18B 2 0.789663 0.897011 0.454261 11.00000 -1.50000 H18C 2 0.678735 0.923782 0.399100 11.00000 -1.50000 AFIX 0 PART 1 C131 1 0.718973 0.301146 0.474810 21.00000 0.08993 0.07172 = 0.03385 -0.00654 -0.00042 0.03019 AFIX 137 H13A 2 0.724465 0.372647 0.465949 21.00000 -1.50000 H13B 2 0.784686 0.274203 0.504396 21.00000 -1.50000 H13C 2 0.673650 0.289598 0.509591 21.00000 -1.50000 AFIX 0 C133 1 0.765501 0.223200 0.352419 21.00000 0.08563 0.07481 = 0.07421 0.01188 0.02785 0.04306 AFIX 137 H13D 2 0.738574 0.195427 0.294858 21.00000 -1.50000 H13E 2 0.808563 0.174011 0.389530 21.00000 -1.50000 H13F 2 0.804139 0.282998 0.349506 21.00000 -1.50000 AFIX 0 C132 1 0.621158 0.154870 0.395387 21.00000 0.09609 0.05958 = 0.12270 0.03506 -0.01948 -0.01686 AFIX 137 H13G 2 0.556469 0.172426 0.402810 21.00000 -1.50000 H13H 2 0.658952 0.115408 0.444455 21.00000 -1.50000 H13I 2 0.611177 0.116044 0.342786 21.00000 -1.50000 AFIX 0 PART 0 PART 2 C14 1 0.606612 0.200349 0.431642 -21.00000 0.05318 0.05616 = 0.05018 0.02126 0.00981 0.00534 AFIX 137 H14A 2 0.575070 0.251194 0.458012 -21.00000 -1.50000 H14B 2 0.643182 0.153778 0.475653 -21.00000 -1.50000 H14C 2 0.555479 0.164315 0.388213 -21.00000 -1.50000 AFIX 0 C13 1 0.754602 0.312720 0.455056 -21.00000 0.05910 0.05535 = 0.03078 -0.00356 -0.00442 0.00838 AFIX 137 H13J 2 0.804602 0.338532 0.429351 -21.00000 -1.50000 H13K 2 0.787161 0.271466 0.504694 -21.00000 -1.50000 H13L 2 0.720537 0.368264 0.473369 -21.00000 -1.50000 AFIX 0 C15 1 0.732229 0.174720 0.349995 -21.00000 0.06194 0.03749 = 0.04041 -0.00555 -0.00087 0.01649 AFIX 137 H15A 2 0.685299 0.122945 0.321502 -21.00000 -1.50000 H15B 2 0.786466 0.144686 0.394959 -21.00000 -1.50000 H15C 2 0.759411 0.207486 0.308029 -21.00000 -1.50000 AFIX 0 HKLF 4 REM mo_hzy2361_0m_a.res in P2(1)/n REM wR2 = 0.1937, GooF = S = 0.994, Restrained GooF = 0.993 for all data REM R1 = 0.0669 for 3395 Fo > 4sig(Fo) and 0.1238 for all 5774 data REM 314 parameters refined using 36 restraints END WGHT 0.0915 0.0000 REM Highest difference peak 1.436, deepest hole -0.361, 1-sigma level 0.099 Q1 1 0.3850 0.5122 0.4254 11.00000 0.05 1.44 Q2 1 0.6159 0.7940 0.5216 11.00000 0.05 0.34 Q3 1 0.6088 0.6451 0.5877 11.00000 0.05 0.33 Q4 1 0.5254 0.8012 0.2964 11.00000 0.05 0.29 Q5 1 0.5533 0.5984 0.1228 11.00000 0.05 0.28 Q6 1 0.5928 0.5749 0.4880 11.00000 0.05 0.28 Q7 1 0.4799 0.5058 0.1485 11.00000 0.05 0.28 Q8 1 0.4585 0.8432 0.4063 11.00000 0.05 0.27 Q9 1 0.1966 0.5137 0.1432 11.00000 0.05 0.27 Q10 1 0.8555 0.3188 0.3213 11.00000 0.05 0.27 Q11 1 0.6553 0.2593 0.3870 11.00000 0.05 0.27 Q12 1 0.7371 0.7174 0.6533 11.00000 0.05 0.27 Q13 1 0.6158 0.6943 0.3468 11.00000 0.05 0.26 Q14 1 0.6245 0.7610 0.4171 11.00000 0.05 0.26 Q15 1 0.5584 0.5069 0.4193 11.00000 0.05 0.26 Q16 1 0.3019 0.3941 0.2950 11.00000 0.05 0.26 Q17 1 0.7166 0.8553 0.5429 11.00000 0.05 0.26 Q18 1 0.4194 0.4029 0.0132 11.00000 0.05 0.26 Q19 1 0.8316 0.4756 0.3219 11.00000 0.05 0.26 Q20 1 0.6393 0.9986 0.3947 11.00000 0.05 0.25 REM The information below was added by Olex2. REM REM R1 = 0.0669 for 3395 Fo > 4sig(Fo) and 0.1238 for all 19883 data REM n/a parameters refined using n/a restraints REM Highest difference peak 1.44, deepest hole -0.36 REM Mean Shift 0, Max Shift 0.005. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.1238 REM R1_gt = 0.0669 REM wR_ref = 0.1937 REM GOOF = 0.994 REM Shift_max = 0.005 REM Shift_mean = 0 REM Reflections_all = 19883 REM Reflections_gt = 3395 REM Parameters = n/a REM Hole = -0.36 REM Peak = 1.44 REM Flack = n/a ; _cod_data_source_file d0dt00570c2.cif _cod_data_source_block 8 _cod_depositor_comments 'Adding full bibliography for 7705159--7705168.cif.' _cod_original_cell_volume 2956.9(9) _cod_database_code 7705167 _shelx_shelxl_version_number 2018/3 _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_estimated_absorpt_t_max 0.888 _shelx_estimated_absorpt_t_min 0.827 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2. Restrained distances C131-C133 \\sim C131-C132 \\sim C133-C132 \\sim C14-C13 \\sim C14-C15 \\sim C13-C15 with sigma of 0.04 C12-N2 \\sim C12-C131 \\sim C12-C133 \\sim C12-C132 \\sim C12-C14 \\sim C12-C13 \\sim C12-C15 with sigma of 0.02 3. Others Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(H14C)=Sof(C13)=Sof(H13J)=Sof(H13K)=Sof(H13L)= Sof(C15)=Sof(H15A)=Sof(H15B)=Sof(H15C)=1-FVAR(1) Sof(C131)=Sof(H13A)=Sof(H13B)=Sof(H13C)=Sof(C133)=Sof(H13D)=Sof(H13E)= Sof(H13F)=Sof(C132)=Sof(H13G)=Sof(H13H)=Sof(H13I)=FVAR(1) 4.a Aromatic/amide H refined with riding coordinates: C3(H3), C7(H7), C6(H6), C5(H5), C4(H4) 4.b Idealised Me refined as rotating group: C16(H16A,H16B,H16C), C21(H21A,H21B,H21C), C20(H20A,H20B,H20C), C10(H10A,H10B, H10C), C17(H17A,H17B,H17C), C9(H9A,H9B,H9C), C19(H19A,H19B,H19C), C11(H11A, H11B,H11C), C18(H18A,H18B,H18C), C131(H13A,H13B,H13C), C133(H13D,H13E,H13F), C132(H13G,H13H,H13I), C14(H14A,H14B,H14C), C13(H13J,H13K,H13L), C15(H15A,H15B, H15C) ; _shelx_fab_file ; -17 0 3 -0.9224 -0.0035 -17 0 5 -1.4749 0.0001 -17 0 7 -0.9059 0.0073 -17 0 9 -0.1423 0.0067 -17 1 3 0.5870 -0.0127 -17 1 4 -0.3253 0.0043 -17 1 5 -0.2590 -0.0166 -17 1 6 -0.6306 0.0049 -17 1 7 -0.9737 -0.0125 -17 1 8 -0.6144 -0.0141 -17 1 9 -0.6693 0.0029 -17 2 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4 1 -0.3525 0.0050 0 4 2 0.1984 0.0103 0 4 3 -0.7056 -0.0011 0 4 4 -0.2381 0.0034 0 4 5 -0.3981 -0.0044 0 4 6 -0.3935 -0.0026 0 4 7 0.0852 -0.0030 0 4 8 -0.2539 -0.0004 0 4 9 0.0529 -0.0017 0 4 10 -0.0323 0.0009 0 4 11 -0.3697 -0.0029 0 4 12 0.1723 -0.0046 0 4 13 -0.3955 -0.0048 0 4 14 0.2403 -0.0060 0 4 15 0.1031 -0.0071 0 4 16 0.0544 0.0045 0 4 17 0.3305 -0.0094 0 4 18 -0.1957 0.0155 0 5 1 0.6239 0.0038 0 5 2 0.0643 0.0021 0 5 3 0.0835 0.0055 0 5 4 -0.0161 0.0035 0 5 5 -0.4377 0.0032 0 5 6 -0.1492 -0.0009 0 5 7 -0.3885 0.0008 0 5 8 -0.2395 -0.0022 0 5 9 0.0379 0.0014 0 5 10 -0.3052 0.0010 0 5 11 0.1120 0.0043 0 5 12 -0.2480 -0.0032 0 5 13 -0.2802 0.0065 0 5 14 0.0330 -0.0168 0 5 15 -0.4252 0.0046 0 5 16 0.2861 -0.0219 0 5 17 -0.0505 -0.0018 0 5 18 0.2012 -0.0076 0 6 0 0.5199 -0.0039 0 6 1 0.2274 -0.0007 0 6 2 0.4368 -0.0021 0 6 3 0.4960 0.0011 0 6 4 0.2200 0.0015 0 6 5 0.3439 0.0041 0 6 6 0.0194 0.0008 0 6 7 -0.0191 0.0050 0 6 8 -0.0205 -0.0025 0 6 9 -0.0674 0.0030 0 6 10 -0.0251 0.0013 0 6 11 0.2582 0.0010 0 6 12 -0.1793 0.0096 0 6 13 0.3786 0.0041 0 6 14 -0.3079 0.0047 0 6 15 0.0774 0.0115 0 6 16 -0.1563 -0.0175 0 6 17 -0.0831 0.0147 0 7 1 0.0272 -0.0016 0 7 2 0.4161 -0.0013 0 7 3 0.0549 -0.0034 0 7 4 0.5698 0.0015 0 7 5 0.1390 -0.0041 0 7 6 0.3863 0.0047 0 7 7 0.1251 -0.0012 0 7 8 0.1262 0.0025 0 7 9 -0.0356 0.0023 0 7 10 0.0894 -0.0015 0 7 11 -0.0416 0.0006 0 7 12 0.1707 0.0059 0 7 13 0.2057 -0.0057 0 7 14 0.0957 0.0238 0 7 15 0.2875 -0.0075 0 7 16 -0.0425 0.0285 0 7 17 0.0237 0.0000 0 8 0 -0.6518 -0.0005 0 8 1 0.1967 -0.0011 0 8 2 -0.4952 -0.0017 0 8 3 0.3494 -0.0004 0 8 4 -0.1167 -0.0020 0 8 5 0.1449 -0.0034 0 8 6 0.2036 0.0011 0 8 7 -0.1138 -0.0070 0 8 8 0.2113 0.0050 0 8 9 -0.2804 -0.0057 0 8 10 0.0248 0.0018 0 8 11 -0.3730 0.0002 0 8 12 -0.0334 -0.0068 0 8 13 -0.2649 0.0022 0 8 14 0.0614 -0.0036 0 8 15 0.0244 -0.0042 0 8 16 0.1064 0.0177 0 9 1 -0.8333 0.0016 0 9 2 -0.1357 -0.0015 0 9 3 -0.1437 0.0027 0 9 4 -0.2386 -0.0037 0 9 5 0.4473 0.0044 0 9 6 -0.1802 -0.0060 0 9 7 0.4540 0.0026 0 9 8 0.0113 -0.0048 0 9 9 0.0958 -0.0022 0 9 10 0.0969 0.0000 0 9 11 -0.2735 -0.0039 0 9 12 -0.0041 -0.0016 0 9 13 -0.4552 0.0009 0 9 14 -0.1176 -0.0137 0 9 15 -0.3051 0.0063 0 9 16 -0.1469 -0.0200 0 10 0 -0.3426 0.0038 0 10 1 -0.4945 0.0009 0 10 2 -0.1853 0.0028 0 10 3 -0.9188 0.0009 0 10 4 0.0495 0.0012 0 10 5 -0.3735 0.0013 0 10 6 0.0582 -0.0005 0 10 7 0.4485 0.0032 0 10 8 -0.0591 -0.0044 0 10 9 0.7974 0.0045 0 10 10 -0.0618 -0.0069 0 10 11 0.5806 0.0024 0 10 12 0.0251 -0.0029 0 10 13 0.1012 -0.0011 0 10 14 0.0472 -0.0001 0 10 15 -0.2796 -0.0015 0 11 1 0.7482 -0.0029 0 11 2 -0.6146 0.0032 0 11 3 -0.1438 -0.0006 0 11 4 -0.5944 0.0028 0 11 5 -0.8732 -0.0001 0 11 6 -0.1478 0.0027 0 11 7 -0.7161 -0.0027 0 11 8 0.1001 0.0047 0 11 9 0.0016 -0.0046 0 11 10 -0.0083 0.0032 0 11 11 0.5660 -0.0026 0 11 12 -0.1552 -0.0015 0 11 13 0.6295 0.0007 0 11 14 -0.1341 -0.0013 0 12 0 1.2221 -0.0055 0 12 1 0.3648 -0.0019 0 12 2 0.7124 -0.0021 0 12 3 0.5893 -0.0029 0 12 4 -0.1909 0.0023 0 12 5 -0.0333 0.0019 0 12 6 -0.4879 0.0006 0 12 7 -0.8088 0.0058 0 12 8 -0.0928 -0.0008 0 12 9 -0.9918 0.0022 0 12 10 0.2976 0.0040 0 12 11 -0.5733 -0.0055 0 12 12 0.2681 0.0082 0 12 13 -0.0294 -0.0077 0 13 1 0.0687 0.0027 0 13 2 0.9289 -0.0051 0 13 3 0.5533 -0.0029 0 13 4 0.8364 -0.0006 0 13 5 0.8318 -0.0055 0 13 6 0.0293 0.0058 0 13 7 0.4895 0.0014 0 13 8 -0.4228 0.0029 0 13 9 -0.1306 0.0113 0 13 10 -0.1435 -0.0034 0 13 11 -0.4725 0.0122 0 13 12 0.3089 -0.0016 0 14 0 -0.9595 0.0058 0 14 1 -0.0519 0.0026 0 14 2 -0.4302 -0.0002 0 14 3 0.0549 0.0030 0 14 4 0.4549 -0.0078 0 14 5 0.4613 -0.0042 0 14 6 0.5906 -0.0032 0 14 7 0.7781 -0.0107 0 14 8 -0.0443 0.0069 0 14 9 0.6965 -0.0066 0 14 10 -0.5511 0.0067 0 15 1 -0.5172 -0.0000 0 15 2 -0.5543 0.0058 0 15 3 -0.5590 0.0044 0 15 4 -0.3081 -0.0018 0 15 5 -0.4563 0.0054 0 15 6 0.3827 -0.0133 0 15 7 -0.1737 -0.0014 0 15 8 0.5854 -0.0122 0 16 0 0.1017 -0.0033 0 16 1 -0.0770 -0.0011 0 16 2 -0.1719 0.0026 0 16 3 -0.2363 0.0000 0 16 4 -0.5343 0.0095 0 16 5 -0.3582 0.0043 1 0 3 -0.1531 -0.0240 1 0 5 0.3625 -0.0048 1 0 7 0.1659 0.0082 1 0 9 0.0121 0.0041 1 0 11 0.3041 -0.0028 1 0 13 0.5688 -0.0017 1 0 15 0.3876 0.0040 1 0 17 0.0065 0.0098 1 1 1 -0.6087 0.0187 1 1 2 0.0041 -0.0033 1 1 3 -0.9271 -0.0069 1 1 4 0.1587 -0.0003 1 1 5 -0.4264 -0.0163 1 1 6 0.1174 -0.0007 1 1 7 -0.0408 -0.0056 1 1 8 -0.0509 -0.0025 1 1 9 -0.1669 0.0024 1 1 10 -0.0735 0.0001 1 1 11 -0.2792 -0.0022 1 1 12 0.1176 0.0017 1 1 13 -0.0122 -0.0083 1 1 14 0.2338 -0.0083 1 1 15 0.3095 -0.0071 1 1 16 0.0678 -0.0232 1 1 17 0.3074 -0.0015 1 1 18 -0.1496 -0.0231 1 2 1 0.9424 0.0209 1 2 2 -0.3704 -0.0011 1 2 3 0.1318 0.0197 1 2 4 -0.2064 -0.0045 1 2 5 -0.3676 0.0024 1 2 6 0.1241 -0.0025 1 2 7 -0.2461 -0.0055 1 2 8 0.1587 -0.0018 1 2 9 -0.0678 0.0006 1 2 10 -0.1431 -0.0022 1 2 11 -0.1752 0.0039 1 2 12 -0.2735 0.0019 1 2 13 -0.3029 -0.0025 1 2 14 0.0455 0.0063 1 2 15 -0.2210 -0.0089 1 2 16 0.3530 0.0001 1 2 17 -0.0629 -0.0081 1 2 18 0.1676 -0.0137 1 3 1 0.4410 -0.0101 1 3 2 0.1119 0.0083 1 3 3 0.7016 0.0067 1 3 4 -0.3831 0.0042 1 3 5 0.3525 0.0092 1 3 6 -0.4092 0.0006 1 3 7 -0.0038 0.0004 1 3 8 -0.0184 0.0013 1 3 9 -0.0512 -0.0019 1 3 10 0.1491 0.0022 1 3 11 0.0099 0.0040 1 3 12 -0.1944 0.0027 1 3 13 0.0261 0.0050 1 3 14 -0.4718 0.0069 1 3 15 0.0435 -0.0023 1 3 16 -0.1664 0.0114 1 3 17 0.0502 -0.0077 1 3 18 0.2696 0.0081 1 4 1 -0.3603 -0.0130 1 4 2 0.6960 -0.0000 1 4 3 0.0339 -0.0087 1 4 4 0.5454 0.0051 1 4 5 0.2870 0.0008 1 4 6 0.0007 0.0045 1 4 7 0.2277 0.0016 1 4 8 -0.2388 0.0023 1 4 9 0.0649 -0.0028 1 4 10 0.0833 0.0016 1 4 11 -0.0704 -0.0002 1 4 12 0.3612 0.0018 1 4 13 -0.1460 0.0066 1 4 14 0.0829 0.0040 1 4 15 -0.0645 0.0049 1 4 16 -0.2798 0.0090 1 4 17 0.1275 -0.0053 1 4 18 -0.0859 0.0122 1 5 1 -0.0754 0.0020 1 5 2 -0.1897 -0.0063 1 5 3 -0.0570 -0.0034 1 5 4 0.4116 -0.0045 1 5 5 0.0689 -0.0010 1 5 6 0.5850 -0.0012 1 5 7 0.1506 0.0029 1 5 8 0.2082 0.0002 1 5 9 0.1728 0.0000 1 5 10 -0.1240 -0.0010 1 5 11 0.1414 -0.0029 1 5 12 0.0696 -0.0045 1 5 13 -0.0330 0.0048 1 5 14 0.3726 -0.0076 1 5 15 -0.2528 0.0160 1 5 16 0.2018 -0.0051 1 5 17 -0.2361 0.0143 1 5 18 -0.1337 0.0022 1 6 1 -0.4660 0.0044 1 6 2 -0.5413 -0.0000 1 6 3 -0.3026 0.0011 1 6 4 -0.4868 -0.0031 1 6 5 -0.0674 -0.0008 1 6 6 -0.1095 -0.0053 1 6 7 0.0837 0.0025 1 6 8 0.1492 -0.0046 1 6 9 0.1163 0.0036 1 6 10 -0.0467 -0.0010 1 6 11 0.1786 -0.0040 1 6 12 -0.3446 0.0012 1 6 13 0.2600 -0.0097 1 6 14 -0.2408 -0.0035 1 6 15 0.1577 0.0005 1 6 16 0.0263 -0.0114 1 6 17 -0.0605 0.0184 1 7 1 -0.2053 -0.0003 1 7 2 -0.1621 0.0025 1 7 3 -0.4960 -0.0007 1 7 4 -0.2466 0.0042 1 7 5 -0.4860 -0.0036 1 7 6 -0.2780 0.0030 1 7 7 -0.2512 -0.0038 1 7 8 -0.1232 -0.0018 1 7 9 -0.0647 0.0016 1 7 10 0.0451 -0.0047 1 7 11 -0.0297 0.0033 1 7 12 -0.0718 0.0002 1 7 13 0.0168 -0.0082 1 7 14 -0.2840 0.0078 1 7 15 0.1031 -0.0217 1 7 16 -0.1908 0.0075 1 7 17 0.0526 -0.0171 1 8 1 0.5890 0.0004 1 8 2 -0.1538 -0.0005 1 8 3 0.3105 0.0008 1 8 4 -0.1615 0.0008 1 8 5 -0.0700 -0.0003 1 8 6 0.0342 0.0055 1 8 7 -0.2925 -0.0043 1 8 8 0.1835 0.0078 1 8 9 -0.2502 -0.0056 1 8 10 0.3019 0.0026 1 8 11 -0.1270 0.0016 1 8 12 0.3433 -0.0049 1 8 13 -0.0841 0.0086 1 8 14 0.1623 -0.0043 1 8 15 -0.0666 0.0002 1 8 16 -0.0540 0.0042 1 9 1 0.0483 0.0013 1 9 2 0.6066 -0.0011 1 9 3 0.1960 0.0023 1 9 4 -0.0812 -0.0036 1 9 5 0.2803 0.0037 1 9 6 -0.3649 -0.0041 1 9 7 0.1715 0.0045 1 9 8 -0.1811 0.0007 1 9 9 -0.0323 0.0004 1 9 10 0.1275 0.0067 1 9 11 -0.1186 -0.0044 1 9 12 0.3565 0.0055 1 9 13 -0.0626 0.0008 1 9 14 0.3788 -0.0026 1 9 15 0.0326 0.0123 1 10 1 0.2735 -0.0025 1 10 2 0.6469 -0.0006 1 10 3 0.0098 -0.0007 1 10 4 0.6032 -0.0002 1 10 5 -0.0945 -0.0004 1 10 6 -0.1038 -0.0022 1 10 7 0.0782 0.0015 1 10 8 -0.6484 -0.0053 1 10 9 0.2335 0.0061 1 10 10 -0.6604 -0.0046 1 10 11 0.1739 0.0056 1 10 12 -0.3175 0.0013 1 10 13 0.0274 -0.0012 1 10 14 0.0796 0.0063 1 10 15 -0.0260 -0.0026 1 11 1 0.3760 -0.0012 1 11 2 -0.4566 0.0001 1 11 3 0.6400 -0.0013 1 11 4 0.4384 -0.0014 1 11 5 0.2712 0.0002 1 11 6 0.7406 0.0007 1 11 7 -0.1302 -0.0023 1 11 8 0.2809 0.0029 1 11 9 -0.0970 -0.0038 1 11 10 -0.3316 0.0007 1 11 11 0.1685 0.0016 1 11 12 -0.5842 -0.0039 1 11 13 0.2702 0.0066 1 11 14 -0.4120 -0.0041 1 12 1 -1.0351 0.0036 1 12 2 -0.4076 0.0050 1 12 3 -0.1867 -0.0011 1 12 4 -0.2790 0.0009 1 12 5 0.4249 -0.0003 1 12 6 0.4285 -0.0048 1 12 7 0.2252 0.0035 1 12 8 0.8948 -0.0040 1 12 9 -0.2875 0.0002 1 12 10 0.7379 0.0030 1 12 11 -0.4232 -0.0069 1 12 12 0.2516 0.0063 1 13 1 -0.5417 0.0018 1 13 2 -0.1246 0.0033 1 13 3 -0.9519 0.0008 1 13 4 -0.5640 0.0090 1 13 5 -0.3548 -0.0065 1 13 6 -0.5943 0.0053 1 13 7 0.3361 -0.0062 1 13 8 -0.1355 -0.0051 1 13 9 0.3060 0.0019 1 13 10 0.3199 -0.0099 1 13 11 -0.2019 0.0037 1 14 1 0.7961 -0.0030 1 14 2 -0.1162 -0.0085 1 14 3 -0.0446 0.0054 1 14 4 -0.2426 -0.0010 1 14 5 -0.5795 0.0047 1 14 6 -0.5630 0.0093 1 14 7 -0.2078 -0.0062 1 14 8 -0.6858 0.0105 1 14 9 0.4487 -0.0105 1 14 10 -0.4848 0.0006 1 15 1 0.2998 -0.0039 1 15 2 0.3623 -0.0070 1 15 3 0.4801 -0.0009 1 15 4 0.3487 -0.0119 1 15 5 -0.0720 0.0114 1 15 6 0.2403 -0.0072 1 15 7 -0.5428 0.0153 1 16 1 -0.0558 -0.0001 1 16 2 0.2706 0.0072 1 16 3 0.3232 -0.0087 1 16 4 0.2815 -0.0002 2 0 2 0.4562 0.0253 2 0 4 -0.1410 0.0096 2 0 6 -0.0686 -0.0069 2 0 8 0.1099 -0.0062 2 0 10 -0.1851 0.0017 2 0 12 -0.5969 0.0029 2 0 16 -0.0642 -0.0081 2 0 18 0.2467 -0.0122 2 1 2 0.7378 0.0014 2 1 3 -0.1855 0.0002 2 1 4 0.4787 0.0167 2 1 5 -0.1995 -0.0012 2 1 6 0.1050 0.0092 2 1 7 -0.0427 0.0019 2 1 8 0.2130 -0.0023 2 1 9 0.0806 0.0023 2 1 10 0.4092 -0.0008 2 1 11 -0.0047 -0.0006 2 1 12 0.1686 0.0072 2 1 13 -0.1560 0.0035 2 1 14 -0.2873 0.0092 2 1 15 -0.1013 0.0157 2 1 16 -0.4259 0.0043 2 1 17 0.1108 0.0197 2 1 18 -0.1663 -0.0026 2 2 2 -0.4361 -0.0230 2 2 3 0.2240 0.0058 2 2 4 0.1302 -0.0072 2 2 5 -0.1071 0.0039 2 2 6 0.1361 0.0058 2 2 7 -0.2989 0.0014 2 2 8 -0.0173 0.0020 2 2 9 -0.1221 0.0023 2 2 10 0.1310 -0.0052 2 2 11 0.1322 0.0011 2 2 12 0.3707 -0.0019 2 2 13 0.0350 -0.0033 2 2 14 0.3340 0.0071 2 2 15 -0.2719 -0.0008 2 2 16 0.0893 0.0109 2 2 17 -0.2574 0.0107 2 2 18 -0.0728 0.0075 2 3 2 -0.5916 -0.0023 2 3 3 0.3728 -0.0048 2 3 4 -0.4464 -0.0104 2 3 5 0.5566 0.0001 2 3 6 -0.1359 -0.0025 2 3 7 0.2671 0.0001 2 3 8 -0.0922 0.0040 2 3 9 -0.0894 -0.0017 2 3 10 -0.1669 -0.0011 2 3 11 -0.0158 -0.0022 2 3 12 -0.1238 -0.0074 2 3 13 0.2974 -0.0054 2 3 14 -0.0323 -0.0042 2 3 15 0.2367 -0.0105 2 3 16 0.0008 0.0041 2 3 17 -0.1771 -0.0089 2 3 18 -0.0004 0.0081 2 4 2 0.1634 0.0120 2 4 3 -0.5876 -0.0050 2 4 4 -0.1302 0.0018 2 4 5 -0.1319 -0.0052 2 4 6 -0.1337 -0.0027 2 4 7 0.3070 -0.0025 2 4 8 -0.0093 0.0024 2 4 9 0.2407 -0.0011 2 4 10 0.0479 0.0047 2 4 11 -0.1232 -0.0001 2 4 12 0.0582 -0.0023 2 4 13 -0.1484 -0.0006 2 4 14 0.0130 -0.0082 2 4 15 0.1724 -0.0061 2 4 16 -0.1149 -0.0042 2 4 17 0.1988 -0.0126 2 5 2 0.1158 0.0015 2 5 3 -0.3363 0.0041 2 5 4 0.0044 0.0021 2 5 5 -0.6951 0.0009 2 5 6 -0.0910 -0.0030 2 5 7 -0.5239 -0.0009 2 5 8 -0.0664 -0.0029 2 5 9 -0.0647 -0.0013 2 5 10 0.0080 0.0034 2 5 11 0.0651 0.0013 2 5 12 0.1283 0.0039 2 5 13 -0.1971 0.0071 2 5 14 0.2860 -0.0056 2 5 15 -0.2669 0.0096 2 5 16 0.2911 -0.0130 2 5 17 0.0150 0.0036 2 6 2 0.3540 -0.0033 2 6 3 0.5629 0.0015 2 6 4 0.1485 0.0000 2 6 5 0.2840 0.0035 2 6 6 -0.1019 -0.0014 2 6 7 -0.1208 0.0045 2 6 8 -0.2412 -0.0055 2 6 9 -0.1959 0.0018 2 6 10 -0.2742 -0.0026 2 6 11 0.1125 -0.0035 2 6 12 -0.2717 0.0069 2 6 13 0.2828 -0.0037 2 6 14 -0.1549 0.0090 2 6 15 0.0977 0.0049 2 6 17 -0.0038 0.0125 2 7 2 0.3167 0.0011 2 7 3 0.3443 -0.0020 2 7 4 0.4997 0.0024 2 7 5 0.4284 -0.0031 2 7 6 0.4024 0.0041 2 7 7 0.3754 0.0002 2 7 8 0.1397 0.0005 2 7 9 0.1162 0.0058 2 7 10 -0.0698 -0.0063 2 7 11 -0.0198 0.0050 2 7 12 -0.1871 -0.0044 2 7 13 0.1475 -0.0044 2 7 14 -0.2509 0.0086 2 7 15 0.2641 -0.0112 2 7 16 -0.1761 0.0168 2 8 2 -0.4683 0.0007 2 8 3 0.0819 0.0017 2 8 4 -0.1332 0.0008 2 8 5 -0.0132 -0.0018 2 8 6 0.2588 0.0030 2 8 7 -0.0991 -0.0069 2 8 8 0.4517 0.0066 2 8 9 -0.1352 -0.0052 2 8 10 0.3844 0.0040 2 8 11 -0.2475 0.0041 2 8 12 0.2192 -0.0063 2 8 13 -0.2788 0.0098 2 8 14 0.0736 -0.0107 2 8 15 -0.1070 0.0037 2 8 16 -0.0021 -0.0002 2 9 2 -0.0966 -0.0017 2 9 3 -0.3568 0.0011 2 9 4 -0.3087 -0.0013 2 9 5 0.1114 0.0041 2 9 6 -0.3612 -0.0024 2 9 7 0.1162 0.0017 2 9 8 -0.1349 -0.0011 2 9 9 -0.0623 -0.0062 2 9 10 0.1546 0.0057 2 9 11 -0.2051 -0.0099 2 9 12 0.2586 0.0087 2 9 13 -0.3011 -0.0029 2 9 14 0.1657 -0.0004 2 9 15 -0.2482 0.0074 2 10 2 -0.0784 -0.0005 2 10 3 -0.5916 -0.0010 2 10 4 0.1208 -0.0004 2 10 5 -0.1975 0.0001 2 10 6 -0.0443 0.0006 2 10 7 0.3798 0.0043 2 10 8 -0.3576 -0.0031 2 10 9 0.5676 0.0062 2 10 10 -0.4139 -0.0068 2 10 11 0.4070 0.0006 2 10 12 -0.1953 -0.0011 2 10 13 0.1282 -0.0079 2 10 14 0.0123 0.0078 2 11 2 -0.5609 -0.0003 2 11 3 0.1372 0.0023 2 11 4 -0.3756 -0.0031 2 11 5 -0.5023 0.0011 2 11 6 0.1065 -0.0019 2 11 7 -0.4130 -0.0015 2 11 8 0.2057 0.0026 2 11 9 0.0802 0.0001 2 11 10 -0.1146 -0.0000 2 11 11 0.4161 0.0056 2 11 12 -0.3704 -0.0086 2 11 13 0.4127 0.0074 2 12 2 0.5660 0.0004 2 12 3 0.3551 -0.0038 2 12 4 -0.2165 0.0006 2 12 5 -0.0400 0.0026 2 12 6 -0.2991 -0.0049 2 12 7 -0.6180 0.0047 2 12 8 0.2051 -0.0052 2 12 9 -0.7390 -0.0005 2 12 10 0.5156 0.0031 2 12 11 -0.4220 -0.0049 2 12 12 0.3164 0.0070 2 13 2 0.8230 0.0007 2 13 3 0.1554 -0.0097 2 13 4 0.6232 0.0070 2 13 5 0.4828 -0.0105 2 13 6 -0.1119 0.0096 2 13 7 0.3216 -0.0018 2 13 8 -0.3670 0.0014 2 13 9 -0.1020 0.0060 2 13 10 0.0478 -0.0049 2 13 11 -0.3290 0.0034 2 14 2 -0.3986 -0.0023 2 14 3 0.1569 0.0077 2 14 4 0.3588 -0.0049 2 14 5 0.3087 -0.0046 2 14 6 0.3720 0.0045 2 14 7 0.5446 -0.0115 2 14 8 -0.2320 0.0129 2 14 9 0.5284 -0.0061 2 15 2 -0.4506 0.0016 2 15 3 -0.1602 0.0151 2 15 4 -0.2297 -0.0085 2 15 5 -0.2027 0.0150 2 15 6 0.3274 -0.0164 2 15 7 -0.1275 0.0048 2 16 2 -0.0520 0.0060 2 16 3 -0.2605 -0.0069 2 16 4 -0.3464 0.0092 3 0 3 -0.0749 -0.0130 3 0 5 -0.0869 0.0044 3 0 7 -0.3090 0.0073 3 0 9 -0.0476 -0.0004 3 0 11 0.5240 -0.0035 3 0 13 0.6765 0.0006 3 0 15 0.2442 0.0063 3 0 17 -0.2411 0.0107 3 1 3 -0.3675 -0.0143 3 1 4 0.2561 0.0024 3 1 5 -0.0691 -0.0114 3 1 6 0.1417 -0.0001 3 1 7 -0.1955 0.0014 3 1 8 -0.0259 -0.0034 3 1 9 -0.5257 0.0036 3 1 10 -0.0614 -0.0014 3 1 11 -0.4052 -0.0044 3 1 12 0.0505 -0.0004 3 1 13 0.1378 -0.0097 3 1 14 0.0893 -0.0077 3 1 15 0.4899 -0.0071 3 1 16 -0.0583 -0.0139 3 1 17 0.3415 -0.0001 3 2 3 0.1077 0.0106 3 2 4 0.1029 -0.0055 3 2 5 0.0358 -0.0048 3 2 6 0.3653 -0.0014 3 2 7 0.1881 -0.0047 3 2 8 0.3576 -0.0017 3 2 9 0.0243 0.0045 3 2 10 0.1123 -0.0031 3 2 11 -0.3574 0.0059 3 2 12 0.0015 -0.0004 3 2 13 -0.4676 -0.0025 3 2 14 0.1841 0.0005 3 2 15 -0.2175 -0.0104 3 2 16 0.2945 -0.0071 3 2 17 0.0678 -0.0110 3 3 3 0.4192 0.0092 3 3 4 -0.6154 -0.0009 3 3 5 0.1945 0.0041 3 3 6 -0.4939 -0.0017 3 3 7 0.1866 -0.0053 3 3 8 -0.1101 0.0010 3 3 9 0.3345 -0.0035 3 3 10 0.0942 0.0018 3 3 11 0.3073 0.0055 3 3 12 -0.0737 0.0032 3 3 13 0.1177 0.0084 3 3 14 -0.1960 0.0079 3 3 15 -0.0194 0.0020 3 3 16 0.0595 0.0086 3 3 17 -0.0482 -0.0061 3 4 3 -0.0296 -0.0037 3 4 4 0.2123 0.0050 3 4 5 0.0147 0.0036 3 4 6 -0.2543 0.0020 3 4 7 -0.1052 -0.0002 3 4 8 -0.4766 0.0005 3 4 9 -0.1174 -0.0065 3 4 10 -0.2415 -0.0006 3 4 11 -0.0281 -0.0036 3 4 12 0.0289 -0.0016 3 4 13 0.0554 0.0054 3 4 14 -0.0741 0.0021 3 4 15 0.1491 0.0091 3 4 16 -0.2317 0.0102 3 4 17 0.2056 0.0042 3 5 3 -0.0823 -0.0021 3 5 4 0.6726 0.0007 3 5 5 0.0526 0.0025 3 5 6 0.7724 0.0017 3 5 7 0.0168 0.0055 3 5 8 0.4041 0.0022 3 5 9 -0.1350 -0.0000 3 5 10 -0.0179 0.0015 3 5 11 -0.2710 -0.0067 3 5 12 -0.0104 -0.0041 3 5 13 -0.3789 -0.0039 3 5 14 0.1932 -0.0107 3 5 15 -0.3776 0.0056 3 5 16 0.1098 -0.0085 3 5 17 -0.1728 0.0103 3 6 3 -0.2445 0.0008 3 6 4 -0.4188 -0.0008 3 6 5 0.0412 0.0002 3 6 6 -0.0356 -0.0021 3 6 7 0.3260 0.0047 3 6 8 0.3305 -0.0018 3 6 9 0.4219 0.0068 3 6 10 0.2355 0.0035 3 6 11 0.3586 -0.0005 3 6 12 -0.1238 0.0081 3 6 13 0.1876 -0.0099 3 6 14 -0.1980 0.0025 3 6 15 -0.0694 -0.0091 3 7 3 -0.3839 -0.0017 3 7 4 -0.4998 0.0006 3 7 5 -0.5094 -0.0032 3 7 6 -0.6091 0.0009 3 7 7 -0.2995 -0.0023 3 7 8 -0.4255 -0.0044 3 7 9 0.0630 0.0047 3 7 10 -0.0500 -0.0079 3 7 11 0.3323 0.0105 3 7 12 0.0312 -0.0007 3 7 13 0.4385 0.0045 3 7 14 -0.1832 0.0108 3 7 15 0.3588 -0.0084 3 7 16 -0.2427 0.0120 3 8 3 0.3664 -0.0023 3 8 4 0.0531 -0.0026 3 8 5 -0.0839 -0.0024 3 8 6 0.1001 0.0031 3 8 7 -0.5335 -0.0053 3 8 8 -0.0089 0.0059 3 8 9 -0.6539 -0.0069 3 8 10 0.0122 -0.0015 3 8 11 -0.4542 0.0006 3 8 12 0.2223 -0.0115 3 8 13 -0.1678 0.0123 3 8 14 0.2685 -0.0103 3 8 15 0.0265 0.0131 3 9 3 0.2332 -0.0003 3 9 4 0.2055 -0.0021 3 9 5 0.4944 -0.0009 3 9 6 0.0664 -0.0033 3 9 7 0.3724 0.0001 3 9 8 0.1374 0.0034 3 9 9 -0.0588 -0.0044 3 9 10 0.1212 0.0110 3 9 11 -0.3857 -0.0124 3 9 12 0.1275 0.0080 3 9 13 -0.3884 -0.0105 3 9 14 0.2163 -0.0038 3 10 3 -0.1479 0.0025 3 10 4 0.3468 0.0022 3 10 5 -0.0506 -0.0007 3 10 6 -0.1133 -0.0019 3 10 7 0.3841 -0.0006 3 10 8 -0.3683 -0.0062 3 10 9 0.6252 0.0048 3 10 10 -0.3364 -0.0031 3 10 11 0.4272 0.0038 3 10 12 -0.2337 0.0066 3 10 13 0.0819 -0.0074 3 10 14 -0.0968 0.0121 3 11 3 0.4272 0.0054 3 11 4 0.0887 -0.0021 3 11 5 -0.0455 0.0067 3 11 6 0.3467 0.0002 3 11 7 -0.2931 0.0010 3 11 8 0.0802 -0.0003 3 11 9 0.0010 -0.0012 3 11 10 -0.2131 -0.0057 3 11 11 0.3957 0.0070 3 11 12 -0.2926 -0.0094 3 11 13 0.4372 0.0135 3 12 3 -0.0632 -0.0015 3 12 4 -0.2100 0.0006 3 12 5 0.2829 0.0046 3 12 6 0.2724 -0.0036 3 12 7 -0.0895 0.0092 3 12 8 0.5851 -0.0013 3 12 9 -0.5203 0.0026 3 12 10 0.4768 0.0032 3 12 11 -0.4436 -0.0053 3 13 3 -0.7297 -0.0077 3 13 4 -0.2010 0.0123 3 13 5 -0.1614 -0.0122 3 13 6 -0.3550 0.0079 3 13 7 0.3001 -0.0059 3 13 8 -0.0957 -0.0007 3 13 9 0.0866 0.0040 3 13 10 0.1851 -0.0023 3 14 3 -0.0110 0.0036 3 14 4 -0.1211 -0.0026 3 14 5 -0.3756 -0.0028 3 14 6 -0.3291 0.0086 3 14 7 -0.0045 -0.0134 3 14 8 -0.4752 0.0093 3 15 3 0.4012 0.0059 3 15 4 0.0756 -0.0191 3 15 5 -0.0284 0.0152 3 15 6 0.1588 -0.0131 3 16 3 0.1535 -0.0080 4 0 4 0.2164 -0.0016 4 0 6 0.5234 -0.0072 4 0 8 0.3779 -0.0008 4 0 10 -0.2928 0.0036 4 0 12 -0.7311 0.0006 4 0 14 -0.4779 -0.0047 4 0 16 0.0927 -0.0090 4 1 4 -0.0850 0.0115 4 1 5 -0.2176 -0.0017 4 1 6 0.0565 -0.0002 4 1 7 -0.0605 0.0031 4 1 8 0.5384 -0.0054 4 1 9 0.0659 0.0037 4 1 10 0.6417 0.0009 4 1 11 0.0488 -0.0000 4 1 12 0.1303 0.0082 4 1 13 -0.0279 0.0009 4 1 14 -0.4252 0.0087 4 1 15 0.0205 0.0063 4 1 16 -0.4950 0.0032 4 1 17 0.1540 0.0044 4 2 4 -0.1944 0.0036 4 2 5 -0.3923 0.0019 4 2 6 -0.3883 0.0067 4 2 7 -0.5132 0.0006 4 2 8 -0.2782 -0.0021 4 2 9 -0.3852 0.0038 4 2 10 0.2108 -0.0076 4 2 11 -0.1592 0.0042 4 2 12 0.5352 -0.0026 4 2 13 -0.1407 0.0016 4 2 14 0.3932 0.0067 4 2 15 -0.2667 0.0042 4 2 16 0.0414 0.0118 4 2 17 -0.1790 0.0099 4 3 4 -0.1599 -0.0046 4 3 5 0.6200 0.0033 4 3 6 -0.1860 0.0054 4 3 7 0.3560 -0.0001 4 3 8 -0.4361 0.0076 4 3 9 -0.0138 -0.0019 4 3 10 -0.5115 -0.0006 4 3 11 -0.1085 -0.0017 4 3 12 -0.2893 -0.0083 4 3 13 0.0446 -0.0043 4 3 14 -0.0331 -0.0072 4 3 15 0.0124 -0.0065 4 3 16 0.0823 0.0009 4 3 17 -0.2397 -0.0013 4 4 4 0.0871 -0.0043 4 4 5 0.1571 -0.0009 4 4 6 0.2271 -0.0028 4 4 7 0.5501 0.0008 4 4 8 0.2531 0.0052 4 4 9 0.5978 0.0008 4 4 10 0.0805 0.0075 4 4 11 0.2665 0.0022 4 4 12 -0.0937 0.0005 4 4 13 0.0706 0.0010 4 4 14 -0.1984 -0.0080 4 4 15 0.1832 -0.0060 4 4 16 -0.2511 -0.0097 4 5 4 -0.0093 -0.0018 4 5 5 -0.8410 -0.0034 4 5 6 -0.0211 -0.0068 4 5 7 -0.7553 -0.0023 4 5 8 0.1924 -0.0042 4 5 9 -0.2344 -0.0026 4 5 10 0.3998 0.0043 4 5 11 0.1224 0.0007 4 5 12 0.4968 0.0085 4 5 13 -0.0016 0.0086 4 5 14 0.4827 0.0032 4 5 15 -0.1514 0.0111 4 5 16 0.2926 -0.0058 4 6 4 0.0932 0.0008 4 6 5 0.2438 -0.0017 4 6 6 -0.3110 -0.0024 4 6 7 -0.2679 0.0000 4 6 8 -0.5496 -0.0072 4 6 9 -0.5408 -0.0026 4 6 10 -0.4943 -0.0051 4 6 11 -0.2209 -0.0093 4 6 12 -0.2692 0.0050 4 6 13 0.1645 -0.0084 4 6 14 0.0256 0.0126 4 6 15 0.1270 0.0029 4 6 16 0.2521 0.0097 4 7 4 0.4984 0.0020 4 7 5 0.7021 0.0002 4 7 6 0.4805 0.0026 4 7 7 0.7648 0.0021 4 7 8 0.0655 -0.0017 4 7 9 0.3252 0.0078 4 7 10 -0.3800 -0.0102 4 7 11 -0.1093 0.0051 4 7 12 -0.5951 -0.0125 4 7 13 -0.0211 -0.0072 4 7 14 -0.5532 -0.0027 4 8 4 -0.2056 0.0029 4 8 5 -0.1878 0.0022 4 8 6 0.4323 0.0033 4 8 7 0.0196 -0.0038 4 8 8 0.8304 0.0062 4 8 9 0.2340 -0.0011 4 8 10 0.7253 0.0040 4 8 11 0.0223 0.0098 4 8 12 0.3486 -0.0079 4 8 13 -0.3048 0.0139 4 8 14 0.0247 -0.0179 4 9 4 -0.5071 0.0038 4 9 5 -0.2698 0.0031 4 9 6 -0.6098 0.0028 4 9 7 -0.3219 -0.0002 4 9 8 -0.1636 0.0032 4 9 9 -0.1931 -0.0091 4 9 10 0.3799 0.0110 4 9 11 0.0156 -0.0110 4 9 12 0.5584 0.0163 4 9 13 -0.0454 -0.0009 4 9 14 0.3806 0.0074 4 10 4 0.1995 -0.0012 4 10 5 -0.0526 -0.0008 4 10 6 -0.2847 0.0031 4 10 7 0.1765 0.0047 4 10 8 -0.7373 -0.0004 4 10 9 0.1639 0.0048 4 10 10 -0.6633 -0.0042 4 10 11 0.1791 -0.0036 4 10 12 -0.2462 0.0038 4 10 13 0.2331 -0.0117 4 11 4 -0.0334 -0.0107 4 11 5 -0.1269 0.0006 4 11 6 0.3430 -0.0065 4 11 7 -0.0962 0.0006 4 11 8 0.1484 0.0002 4 11 9 0.0781 0.0049 4 11 10 -0.3315 -0.0037 4 11 11 0.1277 0.0097 4 11 12 -0.5104 -0.0132 4 12 4 -0.1924 -0.0030 4 12 5 0.0127 0.0006 4 12 6 -0.0180 -0.0111 4 12 7 -0.3532 0.0015 4 12 8 0.4452 -0.0089 4 12 9 -0.4123 -0.0015 4 12 10 0.5092 0.0010 4 12 11 -0.2684 -0.0014 4 13 4 0.3776 0.0139 4 13 5 0.2359 -0.0111 4 13 6 -0.1399 0.0104 4 13 7 0.2025 -0.0049 4 13 8 -0.1510 -0.0010 4 13 9 -0.0374 -0.0003 4 14 4 0.2261 0.0019 4 14 5 0.1247 -0.0020 4 14 6 0.1660 0.0123 4 14 7 0.3497 -0.0087 4 14 8 -0.2522 0.0156 4 15 4 -0.2313 -0.0125 4 15 5 -0.1175 0.0182 5 0 5 -0.6646 0.0061 5 0 7 -0.7275 0.0015 5 0 9 -0.0902 -0.0035 5 0 11 0.6076 -0.0015 5 0 13 0.6531 0.0035 5 0 15 0.1476 0.0074 5 1 5 0.2046 -0.0007 5 1 6 0.1431 -0.0019 5 1 7 -0.3822 0.0060 5 1 8 -0.0180 -0.0057 5 1 9 -0.7700 0.0022 5 1 10 -0.1105 -0.0022 5 1 11 -0.4420 -0.0052 5 1 12 -0.0665 0.0026 5 1 13 0.2163 -0.0083 5 1 14 -0.0242 0.0014 5 1 15 0.5373 -0.0056 5 1 16 -0.1021 -0.0001 5 2 5 0.5399 -0.0077 5 2 6 0.5857 0.0006 5 2 7 0.5653 -0.0009 5 2 8 0.6103 -0.0029 5 2 9 0.0678 0.0065 5 2 10 0.3978 -0.0068 5 2 11 -0.4673 0.0059 5 2 12 0.1843 -0.0052 5 2 13 -0.5300 -0.0014 5 2 14 0.2004 -0.0034 5 2 15 -0.2134 -0.0093 5 2 16 0.2389 -0.0054 5 3 5 0.0869 -0.0049 5 3 6 -0.5414 -0.0010 5 3 7 0.4176 -0.0096 5 3 8 -0.1807 0.0025 5 3 9 0.6549 -0.0044 5 3 10 0.1735 0.0017 5 3 11 0.4950 0.0043 5 3 12 0.1639 0.0013 5 3 13 0.1579 0.0086 5 3 14 0.0198 0.0031 5 3 15 -0.0643 0.0048 5 4 5 -0.3068 0.0053 5 4 6 -0.4790 -0.0026 5 4 7 -0.4022 -0.0020 5 4 8 -0.8166 -0.0013 5 4 9 -0.2050 -0.0076 5 4 10 -0.6473 -0.0015 5 4 11 0.0724 -0.0053 5 4 12 -0.2188 -0.0024 5 4 14 -0.1105 0.0019 5 4 15 0.2901 0.0100 5 4 16 -0.2243 0.0079 5 5 5 0.0477 0.0067 5 5 6 0.9564 0.0026 5 5 7 -0.1676 0.0070 5 5 8 0.6057 0.0022 5 5 9 -0.4649 0.0003 5 5 10 -0.0439 0.0017 5 5 11 -0.5949 -0.0074 5 5 12 -0.2129 -0.0048 5 5 13 -0.5747 -0.0085 5 5 14 0.0567 -0.0106 5 5 15 -0.4146 -0.0016 5 6 5 0.1776 -0.0000 5 6 6 0.0296 0.0033 5 6 7 0.5880 0.0048 5 6 8 0.6475 0.0022 5 6 9 0.6243 0.0068 5 6 10 0.6293 0.0078 5 6 11 0.3806 0.0008 5 6 12 0.0625 0.0114 5 6 13 0.0619 -0.0095 5 6 14 -0.2037 0.0032 5 6 15 -0.2184 -0.0143 5 7 5 -0.5949 -0.0015 5 7 6 -0.9675 -0.0006 5 7 7 -0.2754 -0.0000 5 7 8 -0.7293 -0.0054 5 7 9 0.2984 0.0067 5 7 10 -0.0256 -0.0075 5 7 11 0.6590 0.0137 5 7 12 0.2287 0.0021 5 7 13 0.6961 0.0111 5 7 14 -0.1144 0.0128 5 8 5 -0.1463 -0.0022 5 8 6 0.1334 -0.0003 5 8 7 -0.8288 -0.0033 5 8 8 -0.3359 0.0023 5 8 9 -0.9418 -0.0048 5 8 10 -0.3557 -0.0061 5 8 11 -0.5713 0.0023 5 8 12 0.1403 -0.0142 5 8 13 -0.1515 0.0155 5 8 14 0.3966 -0.0089 5 9 5 0.7589 -0.0065 5 9 6 0.5076 -0.0020 5 9 7 0.4561 -0.0041 5 9 8 0.4147 0.0055 5 9 9 -0.2226 -0.0077 5 9 10 -0.0027 0.0113 5 9 11 -0.6124 -0.0160 5 9 12 -0.1603 0.0052 5 9 13 -0.5349 -0.0144 5 10 5 0.0640 -0.0032 5 10 6 -0.0863 -0.0027 5 10 7 0.7006 -0.0045 5 10 8 -0.0078 -0.0055 5 10 9 0.8332 0.0012 5 10 10 -0.0004 0.0002 5 10 11 0.4396 -0.0007 5 10 12 -0.2182 0.0090 5 11 5 -0.3454 0.0120 5 11 6 -0.0052 -0.0007 5 11 7 -0.3019 0.0033 5 11 8 -0.0682 -0.0041 5 11 9 0.1888 0.0009 5 11 10 -0.0216 -0.0088 5 11 11 0.4977 0.0094 5 12 5 0.0959 0.0105 5 12 6 0.1452 0.0007 5 12 7 -0.3188 0.0136 5 12 8 0.2855 0.0008 5 12 9 -0.4997 0.0049 5 12 10 0.2367 0.0012 5 13 5 -0.0403 -0.0137 5 13 6 -0.1979 0.0090 5 13 7 0.1362 -0.0032 5 13 8 -0.0567 0.0041 5 14 5 -0.2054 -0.0106 5 14 6 -0.2065 0.0040 5 14 7 0.0449 -0.0167 6 0 6 0.9844 -0.0015 6 0 8 0.5438 0.0032 6 0 10 -0.2875 0.0021 6 0 12 -0.6665 -0.0024 6 0 16 0.1302 -0.0081 6 1 6 0.0562 -0.0054 6 1 7 -0.0552 0.0064 6 1 8 0.7030 -0.0037 6 1 9 0.1187 0.0060 6 1 10 0.6828 0.0020 6 1 11 0.1631 -0.0017 6 1 12 0.0810 0.0060 6 1 13 0.0797 -0.0068 6 1 14 -0.4302 0.0062 6 1 15 0.0604 -0.0056 6 1 16 -0.4749 0.0016 6 2 6 -0.7918 0.0029 6 2 7 -0.7428 0.0007 6 2 8 -0.4167 -0.0037 6 2 9 -0.6480 0.0071 6 2 10 0.2456 -0.0057 6 2 11 -0.3256 0.0090 6 2 12 0.5502 -0.0025 6 2 13 -0.1482 0.0053 6 2 14 0.3697 0.0044 6 2 15 -0.2071 0.0025 6 3 6 -0.2712 0.0093 6 3 7 0.3959 -0.0029 6 3 8 -0.6726 0.0070 6 3 9 -0.0977 -0.0030 6 3 10 -0.6620 0.0008 6 3 11 -0.3448 -0.0002 6 3 12 -0.3188 -0.0055 6 3 13 -0.1667 0.0004 6 3 14 -0.0111 -0.0075 6 3 15 -0.0473 0.0009 6 4 6 0.5070 -0.0010 6 4 7 0.8391 0.0023 6 4 8 0.3618 0.0045 6 4 9 0.9791 0.0005 6 4 10 0.0103 0.0059 6 4 11 0.5076 0.0017 6 4 12 -0.2182 0.0022 6 4 13 0.0982 0.0006 6 4 14 -0.2963 -0.0056 6 4 15 0.1634 -0.0040 6 5 6 0.0835 -0.0072 6 5 7 -0.9350 -0.0010 6 5 8 0.4441 -0.0033 6 5 9 -0.2279 -0.0024 6 5 10 0.6388 0.0031 6 5 11 0.3266 0.0008 6 5 12 0.6217 0.0081 6 5 13 0.1521 0.0077 6 5 14 0.4989 0.0069 6 5 15 -0.1578 0.0075 6 6 6 -0.5009 -0.0019 6 6 7 -0.4906 -0.0025 6 6 8 -0.6914 -0.0048 6 6 9 -0.9242 -0.0049 6 6 10 -0.4825 -0.0033 6 6 11 -0.4427 -0.0110 6 6 12 -0.1663 0.0042 6 6 13 0.1553 -0.0079 6 6 14 0.1198 0.0127 6 7 6 0.4870 -0.0003 6 7 7 1.0891 0.0022 6 7 8 -0.1068 -0.0036 6 7 9 0.3790 0.0075 6 7 10 -0.6033 -0.0104 6 7 11 -0.2915 0.0028 6 7 12 -0.7384 -0.0135 6 7 13 -0.1292 -0.0087 6 7 14 -0.6204 -0.0066 6 8 6 0.6186 0.0005 6 8 7 0.2033 -0.0019 6 8 8 1.0206 0.0022 6 8 9 0.6060 0.0019 6 8 10 0.7666 0.0006 6 8 11 0.1922 0.0114 6 8 12 0.3166 -0.0097 6 8 13 -0.3753 0.0112 6 9 6 -0.7274 0.0068 6 9 7 -0.6775 -0.0018 6 9 8 -0.0516 0.0053 6 9 9 -0.2105 -0.0095 6 9 10 0.5251 0.0117 6 9 11 0.2571 -0.0082 6 9 12 0.5934 0.0159 6 10 6 -0.5032 0.0076 6 10 7 -0.0240 0.0054 6 10 8 -0.8791 0.0040 6 10 9 -0.1865 0.0027 6 10 10 -0.6063 0.0004 6 10 11 0.0482 -0.0053 6 11 6 0.4256 -0.0081 6 11 7 0.1620 0.0035 6 11 8 0.0020 -0.0003 6 11 9 0.0436 0.0076 6 11 10 -0.3997 -0.0043 6 12 6 0.1722 -0.0157 6 12 7 -0.1795 -0.0020 6 12 8 0.4252 -0.0109 6 12 9 -0.1539 -0.0010 6 13 6 -0.0727 0.0072 6 13 7 0.0765 -0.0079 7 0 7 -0.9386 -0.0028 7 0 9 -0.1662 -0.0023 7 0 11 0.4736 0.0015 7 0 13 0.4770 0.0048 7 0 15 0.0784 0.0068 7 1 7 -0.4178 0.0033 7 1 8 -0.0778 -0.0095 7 1 9 -0.7468 -0.0002 7 1 10 -0.2289 -0.0031 7 1 11 -0.3614 -0.0028 7 1 12 -0.1737 0.0075 7 1 13 0.2076 -0.0047 7 1 14 -0.0607 0.0107 7 1 15 0.4501 -0.0035 7 2 7 0.7345 0.0010 7 2 8 0.8417 -0.0050 7 2 9 0.0861 0.0024 7 2 10 0.5346 -0.0111 7 2 11 -0.4209 0.0029 7 2 12 0.1616 -0.0091 7 2 13 -0.4342 0.0002 7 2 14 0.1141 -0.0026 7 2 15 -0.1678 -0.0063 7 3 7 0.5418 -0.0058 7 3 8 -0.0794 0.0047 7 3 9 0.7258 -0.0035 7 3 10 0.4228 0.0013 7 3 11 0.4597 -0.0000 7 3 12 0.3810 -0.0022 7 3 13 0.1152 0.0053 7 3 14 0.0748 -0.0032 7 4 7 -0.4986 -0.0012 7 4 8 -1.1472 0.0003 7 4 9 -0.1329 -0.0022 7 4 10 -0.8541 0.0001 7 4 11 0.1693 -0.0031 7 4 12 -0.2078 -0.0011 7 4 13 0.2623 0.0002 7 4 14 -0.0510 0.0010 7 5 7 -0.3465 0.0030 7 5 8 0.5928 0.0016 7 5 9 -0.6154 0.0000 7 5 10 -0.2555 0.0021 7 5 11 -0.6092 -0.0038 7 5 12 -0.3822 -0.0036 7 5 13 -0.5107 -0.0072 7 5 14 0.0578 -0.0067 7 6 7 0.6605 0.0017 7 6 8 0.9637 0.0015 7 6 9 0.5371 0.0015 7 6 10 0.8413 0.0078 7 6 11 0.2466 -0.0012 7 6 12 0.0638 0.0098 7 6 13 0.0059 -0.0077 7 7 7 -0.1347 0.0029 7 7 8 -0.8285 -0.0056 7 7 9 0.4444 0.0063 7 7 10 0.1201 -0.0065 7 7 11 0.6688 0.0108 7 7 12 0.3458 0.0032 7 7 13 0.6343 0.0098 7 8 7 -0.9192 0.0014 7 8 8 -0.6214 0.0021 7 8 9 -0.8692 0.0004 7 8 10 -0.5541 -0.0065 7 8 11 -0.4626 0.0051 7 8 12 0.1595 -0.0111 7 9 7 0.3670 -0.0052 7 9 8 0.5494 0.0067 7 9 9 -0.3168 -0.0067 7 9 10 -0.1459 0.0096 7 9 11 -0.5379 -0.0126 7 10 7 0.7745 -0.0088 7 10 8 0.2516 -0.0052 7 10 9 0.6955 -0.0031 7 10 10 0.1876 0.0013 7 11 7 -0.1992 0.0021 7 11 8 -0.1847 -0.0067 7 11 9 0.2395 0.0001 7 12 7 -0.3086 0.0149 7 12 8 0.0956 0.0016 8 0 8 0.6276 0.0021 8 0 10 -0.1117 -0.0010 8 0 12 -0.3968 -0.0037 8 0 14 -0.2061 -0.0055 8 1 8 0.5839 0.0007 8 1 9 0.2429 0.0094 8 1 10 0.5161 0.0003 8 1 11 0.2746 -0.0029 8 1 12 0.0414 0.0014 8 1 13 0.1148 -0.0126 8 1 14 -0.3008 0.0032 8 2 8 -0.4362 0.0018 8 2 9 -0.7531 0.0101 8 2 10 0.1679 0.0009 8 2 11 -0.2629 0.0126 8 2 12 0.3707 -0.0019 8 2 13 -0.0216 0.0057 8 2 14 0.2320 0.0011 8 3 8 -0.6540 0.0013 8 3 9 -0.3675 -0.0036 8 3 10 -0.5297 0.0040 8 3 11 -0.5789 0.0016 8 3 12 -0.2023 0.0007 8 3 13 -0.2205 0.0048 8 3 14 0.0033 -0.0052 8 4 8 0.2617 -0.0029 8 4 9 1.1402 -0.0022 8 4 10 -0.0968 -0.0014 8 4 11 0.4383 -0.0001 8 4 12 -0.2039 0.0020 8 4 13 -0.0220 0.0003 8 5 8 0.5324 0.0011 8 5 9 0.0052 -0.0036 8 5 10 0.5472 -0.0004 8 5 11 0.5179 -0.0007 8 5 12 0.4415 0.0026 8 5 13 0.1514 0.0044 8 6 8 -0.5263 0.0022 8 6 9 -1.0924 -0.0024 8 6 10 -0.2717 0.0028 8 6 11 -0.4056 -0.0088 8 6 12 -0.1031 0.0040 8 7 8 -0.2302 -0.0048 8 7 9 0.2556 0.0085 8 7 10 -0.5164 -0.0063 8 7 11 -0.4029 0.0029 8 7 12 -0.5330 -0.0079 8 8 8 0.8441 -0.0035 8 8 9 0.7692 0.0003 8 8 10 0.5396 -0.0039 8 8 11 0.1853 0.0084 8 9 8 0.0447 0.0037 8 9 9 -0.1626 -0.0098 8 9 10 0.3889 0.0072 8 10 8 -0.6788 0.0070 8 10 9 -0.3527 0.0026 8 11 8 -0.0539 0.0019 9 0 9 -0.3136 0.0010 9 0 11 0.1504 0.0026 9 0 13 0.1862 0.0040 9 1 9 -0.4788 -0.0000 9 1 10 -0.3459 -0.0053 9 1 11 -0.2153 0.0021 9 1 12 -0.2083 0.0095 9 1 13 0.1026 -0.0007 9 2 9 0.1359 -0.0072 9 2 10 0.4333 -0.0136 9 2 11 -0.1975 -0.0011 9 2 12 -0.0102 -0.0104 9 2 13 -0.1887 0.0025 9 3 9 0.5026 -0.0029 9 3 10 0.6810 0.0010 9 3 11 0.2356 -0.0070 9 3 12 0.4366 -0.0043 9 3 13 0.0532 0.0000 9 4 9 0.0183 0.0091 9 4 10 -0.7232 0.0021 9 4 11 0.1488 0.0017 9 4 12 -0.0126 -0.0000 9 5 9 -0.4609 -0.0000 9 5 10 -0.4843 0.0043 9 5 11 -0.3177 0.0033 9 5 12 -0.3825 -0.0011 9 6 9 0.2384 -0.0075 9 6 10 0.7449 0.0049 9 6 11 0.1278 -0.0048 9 7 9 0.3346 0.0040 9 7 10 0.2420 -0.0084 9 7 11 0.3574 0.0035 9 8 9 -0.5271 0.0056 9 8 10 -0.5138 -0.0036 9 9 9 -0.1941 -0.0028 10 0 10 0.1777 -0.0021 10 0 12 -0.0238 -0.0025 10 1 10 0.2465 -0.0041 10 1 11 0.3074 -0.0017 10 1 12 0.0499 -0.0030 10 2 10 -0.0249 0.0080 10 2 11 -0.0469 0.0139 10 2 12 0.0561 -0.0022 10 3 10 -0.2039 0.0093 10 3 11 -0.6386 0.0017 10 3 12 -0.0514 0.0076 10 4 10 -0.1173 -0.0105 10 4 11 0.1624 -0.0011 10 5 10 0.1882 -0.0057 10 5 11 0.5323 -0.0026 10 6 10 -0.0724 0.0097 10 7 10 -0.1745 -0.0005 11 0 11 -0.2103 0.0011 11 1 11 -0.0913 0.0064 11 2 11 0.1062 -0.0025 0 0 0 0.0 0.0 ; _olex2_submission_special_instructions 'No special instructions were received' 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 _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Mn1 Mn 0.54597(7) 0.57610(5) 0.43054(5) 0.0346(2) Uani 1 1 d . . . . . Cl1 Cl 0.38587(9) 0.48610(9) 0.41827(7) 0.0303(3) Uani 1 1 d . . . . . Si1 Si 0.60808(13) 0.46039(11) 0.32589(9) 0.0379(4) Uani 1 1 d . . . . . Si3 Si 0.48022(13) 0.79084(11) 0.33976(9) 0.0387(4) Uani 1 1 d . . . . . Cl2 Cl 0.73578(13) 0.50332(12) 0.29428(10) 0.0574(4) Uani 1 1 d . . . . . Si2 Si 0.67840(13) 0.76960(11) 0.47226(9) 0.0386(4) Uani 1 1 d . . . . . N3 N 0.5664(4) 0.7207(3) 0.4126(2) 0.0364(10) Uani 1 1 d . . . . . N2 N 0.6176(4) 0.3256(3) 0.3283(3) 0.0401(11) Uani 1 1 d D . . . . N1 N 0.5272(4) 0.4095(3) 0.2249(3) 0.0371(11) Uani 1 1 d . . . . . C1 C 0.5497(4) 0.3161(4) 0.2525(3) 0.0368(12) Uani 1 1 d . . . . . C2 C 0.5071(4) 0.2240(4) 0.2081(3) 0.0379(12) Uani 1 1 d . . . . . C12 C 0.6791(4) 0.2503(4) 0.3893(3) 0.0443(14) Uani 1 1 d D . . . . C16 C 0.7772(5) 0.6728(4) 0.5008(4) 0.0490(15) Uani 1 1 d . . . . . H16A H 0.761725 0.625032 0.540381 0.074 Uiso 1 1 calc GR . . . . H16B H 0.841383 0.704291 0.528142 0.074 Uiso 1 1 calc GR . . . . H16C H 0.780430 0.638276 0.448794 0.074 Uiso 1 1 calc GR . . . . C21 C 0.3571(5) 0.7253(4) 0.3061(4) 0.0496(15) Uani 1 1 d . . . . . H21A H 0.364809 0.661036 0.280679 0.074 Uiso 1 1 calc GR . . . . H21B H 0.309034 0.765938 0.263945 0.074 Uiso 1 1 calc GR . . . . H21C H 0.333089 0.714881 0.356225 0.074 Uiso 1 1 calc GR . . . . C8 C 0.4497(4) 0.4497(4) 0.1503(3) 0.0409(13) Uani 1 1 d . . . . . C20 C 0.5173(5) 0.8170(4) 0.2403(3) 0.0498(15) Uani 1 1 d . . . . . H20A H 0.568058 0.869213 0.252037 0.075 Uiso 1 1 calc GR . . . . H20B H 0.459000 0.839117 0.194731 0.075 Uiso 1 1 calc GR . . . . H20C H 0.544163 0.756503 0.222059 0.075 Uiso 1 1 calc GR . . . . C3 C 0.4208(5) 0.1821(4) 0.2190(4) 0.0448(14) Uani 1 1 d . . . . . H3 H 0.388680 0.211665 0.256793 0.054 Uiso 1 1 calc R . . . . C10 C 0.4732(5) 0.5606(4) 0.1493(4) 0.0508(16) Uani 1 1 d . . . . . H10A H 0.470446 0.591008 0.203160 0.076 Uiso 1 1 calc GR . . . . H10B H 0.424234 0.592598 0.101333 0.076 Uiso 1 1 calc GR . . . . H10C H 0.539835 0.569323 0.142774 0.076 Uiso 1 1 calc GR . . . . C17 C 0.6685(5) 0.8219(5) 0.5756(4) 0.0580(17) Uani 1 1 d . . . . . H17A H 0.616730 0.873133 0.563903 0.087 Uiso 1 1 calc GR . . . . H17B H 0.732260 0.851282 0.607325 0.087 Uiso 1 1 calc GR . . . . H17C H 0.651171 0.768773 0.609793 0.087 Uiso 1 1 calc GR . . . . C9 C 0.4561(5) 0.4020(4) 0.0672(3) 0.0528(17) Uani 1 1 d . . . . . H9A H 0.523887 0.408933 0.062794 0.079 Uiso 1 1 calc GR . . . . H9B H 0.409501 0.435118 0.018448 0.079 Uiso 1 1 calc GR . . . . H9C H 0.439101 0.331439 0.067047 0.079 Uiso 1 1 calc GR . . . . C7 C 0.5543(5) 0.1805(4) 0.1523(4) 0.0493(15) Uani 1 1 d . . . . . H7 H 0.612588 0.209469 0.144388 0.059 Uiso 1 1 calc R . . . . C19 C 0.4549(6) 0.9142(4) 0.3830(4) 0.0553(17) Uani 1 1 d . . . . . H19A H 0.427796 0.903672 0.431324 0.083 Uiso 1 1 calc GR . . . . H19B H 0.406701 0.951288 0.337933 0.083 Uiso 1 1 calc GR . . . . H19C H 0.516874 0.952126 0.402218 0.083 Uiso 1 1 calc GR . . . . C6 C 0.5145(5) 0.0935(5) 0.1082(4) 0.0557(17) Uani 1 1 d . . . . . H6 H 0.546872 0.062540 0.071289 0.067 Uiso 1 1 calc R . . . . C5 C 0.4286(5) 0.0529(4) 0.1185(4) 0.0557(17) Uani 1 1 d . . . . . H5 H 0.400892 -0.005118 0.087570 0.067 Uiso 1 1 calc R . . . . C11 C 0.3475(5) 0.4347(5) 0.1622(4) 0.0546(16) Uani 1 1 d . . . . . H11A H 0.333596 0.363528 0.163365 0.082 Uiso 1 1 calc GR . . . . H11B H 0.297312 0.465931 0.114594 0.082 Uiso 1 1 calc GR . . . . H11C H 0.345472 0.465140 0.216218 0.082 Uiso 1 1 calc GR . . . . C4 C 0.3826(5) 0.0971(4) 0.1741(4) 0.0559(17) Uani 1 1 d . . . . . H4 H 0.323843 0.068234 0.181447 0.067 Uiso 1 1 calc R . . . . C18 C 0.7280(5) 0.8704(5) 0.4158(4) 0.0618(18) Uani 1 1 d . . . . . H18A H 0.741281 0.842930 0.364569 0.093 Uiso 1 1 calc GR . . . . H18B H 0.789663 0.897011 0.454261 0.093 Uiso 1 1 calc GR . . . . H18C H 0.678735 0.923782 0.399100 0.093 Uiso 1 1 calc GR . . . . C131 C 0.7190(17) 0.3011(14) 0.4748(9) 0.069(6) Uani 0.65(3) 1 d D . P A 1 H13A H 0.724465 0.372647 0.465949 0.103 Uiso 0.65(3) 1 calc GR . P A 1 H13B H 0.784686 0.274203 0.504396 0.103 Uiso 0.65(3) 1 calc GR . P A 1 H13C H 0.673650 0.289598 0.509591 0.103 Uiso 0.65(3) 1 calc GR . P A 1 C133 C 0.7655(14) 0.2232(18) 0.3524(10) 0.077(6) Uani 0.65(3) 1 d D . P A 1 H13D H 0.738574 0.195427 0.294858 0.116 Uiso 0.65(3) 1 calc GR . P A 1 H13E H 0.808563 0.174011 0.389530 0.116 Uiso 0.65(3) 1 calc GR . P A 1 H13F H 0.804139 0.282998 0.349506 0.116 Uiso 0.65(3) 1 calc GR . P A 1 C132 C 0.6212(14) 0.1549(13) 0.3954(16) 0.103(8) Uani 0.65(3) 1 d D . P A 1 H13G H 0.556469 0.172426 0.402810 0.155 Uiso 0.65(3) 1 calc GR . P A 1 H13H H 0.658952 0.115408 0.444455 0.155 Uiso 0.65(3) 1 calc GR . P A 1 H13I H 0.611177 0.116044 0.342786 0.155 Uiso 0.65(3) 1 calc GR . P A 1 C14 C 0.6066(14) 0.200(2) 0.4316(15) 0.054(7) Uani 0.35(3) 1 d D . P A 2 H14A H 0.575070 0.251194 0.458012 0.081 Uiso 0.35(3) 1 calc GR . P A 2 H14B H 0.643182 0.153778 0.475653 0.081 Uiso 0.35(3) 1 calc GR . P A 2 H14C H 0.555479 0.164315 0.388213 0.081 Uiso 0.35(3) 1 calc GR . P A 2 C13 C 0.755(2) 0.313(2) 0.4551(17) 0.052(7) Uani 0.35(3) 1 d D . P A 2 H13J H 0.804602 0.338532 0.429351 0.078 Uiso 0.35(3) 1 calc GR . P A 2 H13K H 0.787161 0.271466 0.504694 0.078 Uiso 0.35(3) 1 calc GR . P A 2 H13L H 0.720537 0.368264 0.473369 0.078 Uiso 0.35(3) 1 calc GR . P A 2 C15 C 0.7322(19) 0.1747(18) 0.3500(14) 0.050(7) Uani 0.35(3) 1 d D . P A 2 H15A H 0.685299 0.122945 0.321502 0.075 Uiso 0.35(3) 1 calc GR . P A 2 H15B H 0.786466 0.144686 0.394959 0.075 Uiso 0.35(3) 1 calc GR . P A 2 H15C H 0.759411 0.207486 0.308029 0.075 Uiso 0.35(3) 1 calc GR . P A 2 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 Mn1 0.0358(5) 0.0320(4) 0.0355(4) 0.0006(3) 0.0093(4) -0.0005(4) Cl1 0.0242(7) 0.0361(6) 0.0296(6) 0.0116(5) 0.0059(5) -0.0029(5) Si1 0.0377(10) 0.0358(8) 0.0386(8) -0.0044(6) 0.0087(7) -0.0015(7) Si3 0.0406(10) 0.0345(8) 0.0387(8) 0.0034(6) 0.0079(7) 0.0029(7) Cl2 0.0522(11) 0.0626(10) 0.0645(9) -0.0155(7) 0.0279(8) -0.0187(8) Si2 0.0376(10) 0.0348(8) 0.0403(8) 0.0007(6) 0.0061(7) -0.0022(7) N3 0.040(3) 0.031(2) 0.036(2) 0.0035(17) 0.007(2) -0.003(2) N2 0.041(3) 0.033(2) 0.042(2) -0.0024(19) 0.006(2) 0.004(2) N1 0.040(3) 0.033(2) 0.037(2) -0.0010(18) 0.007(2) -0.002(2) C1 0.036(3) 0.039(3) 0.035(3) 0.000(2) 0.010(2) 0.002(2) C2 0.039(4) 0.034(3) 0.039(3) 0.001(2) 0.009(3) 0.004(2) C12 0.042(4) 0.043(3) 0.042(3) 0.002(2) 0.002(3) 0.005(3) C16 0.039(4) 0.053(4) 0.051(3) 0.002(3) 0.006(3) 0.005(3) C21 0.041(4) 0.054(4) 0.047(3) 0.008(3) 0.003(3) -0.002(3) C8 0.037(4) 0.045(3) 0.038(3) 0.001(2) 0.007(3) 0.000(3) C20 0.055(4) 0.047(3) 0.045(3) 0.006(3) 0.011(3) -0.006(3) C3 0.041(4) 0.043(3) 0.050(3) 0.000(2) 0.012(3) -0.001(3) C10 0.060(5) 0.048(3) 0.040(3) 0.004(3) 0.007(3) -0.002(3) C17 0.055(5) 0.059(4) 0.053(4) -0.011(3) 0.004(3) 0.000(3) C9 0.068(5) 0.052(4) 0.033(3) 0.000(2) 0.006(3) 0.002(3) C7 0.044(4) 0.048(3) 0.056(3) -0.013(3) 0.014(3) -0.006(3) C19 0.064(5) 0.043(3) 0.054(3) 0.006(3) 0.010(3) 0.008(3) C6 0.053(5) 0.049(4) 0.059(4) -0.017(3) 0.006(3) 0.000(3) C5 0.057(5) 0.038(3) 0.062(4) -0.006(3) 0.000(3) -0.005(3) C11 0.045(4) 0.048(3) 0.068(4) 0.008(3) 0.011(3) 0.002(3) C4 0.046(4) 0.046(3) 0.063(4) 0.011(3) -0.004(3) -0.009(3) C18 0.045(4) 0.063(4) 0.069(4) 0.007(3) 0.002(3) -0.017(3) C131 0.090(15) 0.072(10) 0.034(7) -0.007(7) 0.000(7) 0.030(9) C133 0.086(13) 0.075(11) 0.074(8) 0.012(9) 0.028(9) 0.043(10) C132 0.096(14) 0.060(10) 0.123(16) 0.035(10) -0.019(11) -0.017(9) C14 0.053(14) 0.056(15) 0.050(13) 0.021(10) 0.010(10) 0.005(11) C13 0.059(19) 0.055(12) 0.031(12) -0.004(10) -0.004(10) 0.008(12) C15 0.062(16) 0.037(12) 0.040(10) -0.006(9) -0.001(10) 0.016(11) 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' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Mn Mn 0.3368 0.7283 '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' Si Si 0.0817 0.0704 '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 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Cl1 Mn1 Cl1 89.80(5) . 3_666 ? Cl1 Mn1 Si1 96.85(5) . . ? Cl1 Mn1 Si1 109.52(5) 3_666 . ? N3 Mn1 Cl1 128.36(15) . . ? N3 Mn1 Cl1 115.90(12) . 3_666 ? N3 Mn1 Si1 113.03(13) . . ? Mn1 Cl1 Mn1 90.20(5) . 3_666 ? Cl2 Si1 Mn1 117.69(8) . . ? Cl2 Si1 C1 107.92(16) . . ? N2 Si1 Mn1 127.65(15) . . ? N2 Si1 Cl2 102.63(17) . . ? N2 Si1 N1 70.78(19) . . ? N2 Si1 C1 35.29(19) . . ? N1 Si1 Mn1 124.37(17) . . ? N1 Si1 Cl2 103.56(16) . . ? N1 Si1 C1 35.57(18) . . ? C1 Si1 Mn1 134.35(16) . . ? N3 Si3 C21 110.5(2) . . ? N3 Si3 C20 112.7(3) . . ? N3 Si3 C19 113.6(3) . . ? C21 Si3 C19 105.5(3) . . ? C20 Si3 C21 107.3(3) . . ? C20 Si3 C19 106.8(3) . . ? N3 Si2 C16 111.5(3) . . ? N3 Si2 C17 111.1(3) . . ? N3 Si2 C18 113.9(3) . . ? C16 Si2 C17 106.4(3) . . ? C16 Si2 C18 105.8(3) . . ? C17 Si2 C18 107.7(3) . . ? Si3 N3 Mn1 122.3(3) . . ? Si3 N3 Si2 121.9(2) . . ? Si2 N3 Mn1 115.8(2) . . ? C1 N2 Si1 92.7(3) . . ? C1 N2 C12 132.0(4) . . ? C12 N2 Si1 135.3(3) . . ? C1 N1 Si1 91.4(3) . . ? C1 N1 C8 131.6(5) . . ? C8 N1 Si1 135.7(3) . . ? N2 C1 Si1 52.0(3) . . ? N2 C1 N1 105.0(4) . . ? N2 C1 C2 128.1(5) . . ? N1 C1 Si1 53.1(3) . . ? N1 C1 C2 126.9(5) . . ? C2 C1 Si1 176.3(4) . . ? C3 C2 C1 121.5(5) . . ? C3 C2 C7 120.4(5) . . ? C7 C2 C1 118.1(5) . . ? N2 C12 C131 107.1(8) . . ? N2 C12 C133 105.5(7) . . ? N2 C12 C132 113.0(7) . . ? N2 C12 C14 105.2(9) . . ? N2 C12 C13 104.1(13) . . ? N2 C12 C15 115.7(10) . . ? C131 C12 C133 110.0(9) . . ? C131 C12 C132 112.4(9) . . ? C132 C12 C133 108.5(9) . . ? C13 C12 C14 109.9(11) . . ? C15 C12 C14 111.6(10) . . ? C15 C12 C13 110.0(13) . . ? N1 C8 C10 104.8(4) . . ? N1 C8 C9 111.0(5) . . ? N1 C8 C11 110.2(4) . . ? C9 C8 C10 109.4(4) . . ? C11 C8 C10 110.2(5) . . ? C11 C8 C9 111.0(5) . . ? C4 C3 C2 119.1(6) . . ? C2 C7 C6 119.3(6) . . ? C5 C6 C7 120.2(6) . . ? C6 C5 C4 119.8(6) . . ? C3 C4 C5 121.2(6) . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Mn1 Cl1 2.5121(15) . ? Mn1 Cl1 2.5186(13) 3_666 ? Mn1 Si1 2.6392(17) . ? Mn1 N3 2.002(4) . ? Si1 Cl2 2.087(2) . ? Si1 N2 1.820(4) . ? Si1 N1 1.843(4) . ? Si1 C1 2.305(5) . ? Si3 N3 1.715(4) . ? Si3 C21 1.878(6) . ? Si3 C20 1.876(6) . ? Si3 C19 1.879(6) . ? Si2 N3 1.725(5) . ? Si2 C16 1.863(6) . ? Si2 C17 1.870(6) . ? Si2 C18 1.884(6) . ? N2 C1 1.333(7) . ? N2 C12 1.506(6) . ? N1 C1 1.341(6) . ? N1 C8 1.483(7) . ? C1 C2 1.474(7) . ? C2 C3 1.395(8) . ? C2 C7 1.400(8) . ? C12 C131 1.510(10) . ? C12 C133 1.546(11) . ? C12 C132 1.540(10) . ? C12 C14 1.541(12) . ? C12 C13 1.526(13) . ? C12 C15 1.510(12) . ? C8 C10 1.531(8) . ? C8 C9 1.526(7) . ? C8 C11 1.517(9) . ? C3 C4 1.382(8) . ? C7 C6 1.403(8) . ? C6 C5 1.379(9) . ? C5 C4 1.392(9) . ? loop_ _smtbx_masks_void_nr _smtbx_masks_void_average_x _smtbx_masks_void_average_y _smtbx_masks_void_average_z _smtbx_masks_void_volume _smtbx_masks_void_count_electrons _smtbx_masks_void_content 1 -0.019 0.275 0.444 12.7 0.3 ? 2 0.019 0.725 0.556 12.7 0.3 ? 3 0.481 0.225 0.944 12.7 0.3 ? 4 0.519 0.775 0.056 12.7 0.3 ?