#------------------------------------------------------------------------------ #$Date: 2019-11-23 20:31:29 +0200 (Sat, 23 Nov 2019) $ #$Revision: 234869 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/34/95/4349540.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_4349540 loop_ _publ_author_name 'Shi, Chao' 'Han, Xiang-Bin' 'Wang, Ya' 'Zhang, Wen' _publ_section_title ; Tuning dielectric transitions by B′-site mixing in hybrid double perovskite crystals (CH3NH3)2[K1−xRbxCo(CN)6] (x = 0.23--0.62) ; _journal_issue 12 _journal_name_full 'Inorganic Chemistry Frontiers' _journal_page_first 1604 _journal_paper_doi 10.1039/C6QI00347H _journal_volume 3 _journal_year 2016 _chemical_formula_moiety 'C6 Co K0.77 N6 Rb0.23, 2(C H6 N)' _chemical_formula_sum 'C8 H12 Co K0.77 N8 Rb0.23' _chemical_formula_weight 328.95 _space_group_crystal_system monoclinic _space_group_IT_number 15 _space_group_name_Hall '-C 2yc' _space_group_name_H-M_alt 'C 1 2/c 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2014/7 _audit_update_record ; 2016-08-24 deposited with the CCDC. 2016-10-13 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 108.65(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 13.698(3) _cell_length_b 7.8637(16) _cell_length_c 13.681(3) _cell_measurement_reflns_used 1589 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 0.532 _cell_measurement_theta_min 0.491 _cell_volume 1396.3(6) _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.994 _diffrn_measurement_device_type 'Rigaku, SCXmini' _diffrn_measurement_method '\w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0540 _diffrn_reflns_av_unetI/netI 0.0453 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.994 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 4749 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.994 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.494 _diffrn_reflns_theta_min 3.029 _exptl_absorpt_coefficient_mu 2.251 _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.565 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 664.6 _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.28 _refine_diff_density_max 0.478 _refine_diff_density_min -0.641 _refine_diff_density_rms 0.111 _refine_ls_extinction_coef 0.0251(12) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2014/7 (Sheldrick 2014' _refine_ls_goodness_of_fit_ref 1.085 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 87 _refine_ls_number_reflns 1589 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.085 _refine_ls_R_factor_all 0.0358 _refine_ls_R_factor_gt 0.0301 _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^)+(0.0360P)^2^+0.5597P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0755 _refine_ls_wR_factor_ref 0.0770 _reflns_Friedel_coverage 0.000 _reflns_number_gt 1450 _reflns_number_total 1589 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c6qi00347h2.cif _cod_data_source_block 1-298K _cod_original_sg_symbol_H-M 'C 2/c' _cod_database_code 4349540 _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 ; a.res created by SHELXL-2014/7 TITL a in C2/c CELL 0.71073 13.6975 7.8637 13.6811 90.000 108.651 90.000 ZERR 16.00 0.0027 0.0016 0.0027 0.000 0.030 0.000 LATT 7 SYMM -X, Y, 0.5-Z SFAC C H N K Co Rb UNIT 16 16 16 16 16 16 L.S. 16 ACTA BOND $H FMAP 2 PLAN 1 EADP K1 Rb1 EXYZ K1 Rb1 CONF FREE C1 Rb1 WGHT 0.036000 0.559700 EXTI 0.025131 FVAR 0.50099 C1 1 0.686479 0.126513 0.877543 11.00000 0.02932 0.02670 = 0.02666 0.00169 0.00647 -0.00516 C2 1 0.865588 0.291578 0.956070 11.00000 0.02516 0.02098 = 0.02528 0.00177 0.00692 0.00040 C3 1 0.810021 0.044873 1.064520 11.00000 0.02218 0.02595 = 0.02791 0.00120 0.00890 -0.00318 C4 1 0.097778 0.129729 0.142411 11.00000 0.06890 0.03487 = 0.05179 0.00498 0.01997 -0.00329 AFIX 137 H4D 2 0.149516 0.095254 0.205046 11.00000 -1.50000 H4E 2 0.088386 0.041820 0.091536 11.00000 -1.50000 H4F 2 0.033980 0.149290 0.155669 11.00000 -1.50000 AFIX 0 CO1 5 0.750000 0.250000 1.000000 10.50000 0.01798 0.01705 = 0.01955 0.00113 0.00491 -0.00173 K1 4 0.500000 -0.214533 0.750000 10.38500 0.03007 0.03149 = 0.02904 0.00000 0.00833 0.00000 N1 3 0.649792 0.050457 0.803827 11.00000 0.06292 0.04709 = 0.03450 -0.01019 0.00827 -0.02050 N2 3 0.935606 0.318607 0.930165 11.00000 0.03164 0.03767 = 0.04197 0.00484 0.01804 -0.00022 N3 3 0.843227 -0.081319 1.102248 11.00000 0.03704 0.03199 = 0.04954 0.01324 0.01450 0.00696 N4 3 0.130397 0.286060 0.104374 11.00000 0.02926 0.03776 = 0.03222 0.00063 0.00835 -0.00834 AFIX 137 H4A 2 0.134548 0.369552 0.149446 11.00000 -1.50000 H4B 2 0.084723 0.313788 0.043917 11.00000 -1.50000 H4C 2 0.191809 0.270166 0.096567 11.00000 -1.50000 AFIX 0 RB1 6 0.500000 -0.214533 0.750000 10.11500 0.03007 0.03149 = 0.02904 0.00000 0.00833 0.00000 HKLF 4 REM a in C2/c REM R1 = 0.0301 for 1450 Fo > 4sig(Fo) and 0.0358 for all 1589 data REM 87 parameters refined using 0 restraints END WGHT 0.0360 0.5596 REM Highest difference peak 0.478, deepest hole -0.641, 1-sigma level 0.111 Q1 1 0.7786 0.2554 0.9442 11.00000 0.05 0.48 ; _shelx_res_checksum 43330 _shelx_hkl_file ; 0 0 2 2013.70 32.45 0 0 2 2082.58 26.89 0 0 -2 2021.21 26.56 0 0 -2 1986.33 34.11 0 0 3 1.10 0.58 0 0 3 1.25 0.60 0 0 -3 0.94 0.73 0 0 4 272.70 7.66 0 0 -4 267.28 6.27 0 0 5 0.48 1.16 0 0 -5 -1.14 0.89 0 0 6 479.94 15.81 0 0 -6 505.49 12.88 0 0 7 -1.46 1.19 0 0 -7 -0.15 1.21 0 0 -8 1701.40 61.09 0 0 -8 1865.04 51.09 0 0 -9 10.53 2.66 0 0 -9 -1.60 1.85 0 0 -10 136.98 9.89 0 0 -10 122.85 5.95 0 0 -11 -1.32 2.34 0 0 -11 0.71 1.38 0 0 -12 448.94 22.65 0 0 -13 0.25 2.56 0 0 -14 7.19 4.87 0 0 -15 -3.56 4.48 0 0 -16 593.08 39.04 2 0 -17 -1.18 4.35 2 0 -16 94.95 14.15 2 0 -15 4.58 4.46 2 0 -14 337.72 19.99 2 0 -13 0.72 2.64 2 0 -12 50.81 4.76 2 0 -12 44.61 5.76 2 0 -11 0.56 1.70 2 0 -11 2.27 2.72 2 0 -10 2095.68 68.80 2 0 -10 2082.32 78.33 2 0 -9 2.31 1.87 -2 0 9 -1.70 1.73 2 0 -8 2.64 1.77 -2 0 8 3.52 1.84 -2 0 7 0.05 1.26 2 0 -6 3359.70 88.90 -2 0 6 3349.61 86.76 2 0 -5 5.41 1.42 -2 0 5 0.29 1.08 2 0 -4 872.83 23.60 -2 0 4 933.71 19.40 2 0 -3 1.15 1.19 -2 0 3 0.48 0.47 2 0 -2 2917.61 57.90 2 0 -2 2905.40 33.56 -2 0 2 2975.39 33.24 2 0 -1 4.46 0.77 2 0 -1 5.14 0.21 -2 0 1 4.54 0.18 -2 0 1 5.68 0.72 2 0 0 1092.85 13.99 2 0 0 1082.29 17.52 -2 0 0 1098.89 18.20 -2 0 0 1095.09 14.42 -2 0 -1 3.35 0.57 -2 0 -1 2.40 0.45 2 0 2 5924.53 90.79 -2 0 -2 6076.58 114.89 -2 0 -2 6016.93 88.75 2 0 3 -0.07 0.49 -2 0 -3 -0.23 0.99 -2 0 -4 765.22 21.59 -2 0 -4 736.92 12.70 -2 0 -5 0.64 1.77 -2 0 -5 4.19 0.69 -2 0 -6 2709.27 52.93 -2 0 -6 2729.69 85.73 -2 0 -7 -0.82 1.89 -2 0 -7 1.21 0.79 -2 0 -8 406.58 9.90 -2 0 -8 369.70 16.33 -2 0 -9 3.07 2.32 -2 0 -9 0.67 0.95 -2 0 -10 1609.41 63.15 -2 0 -11 -0.49 3.08 -2 0 -12 24.88 6.94 -2 0 -13 2.49 3.80 -2 0 -14 566.63 37.90 -2 0 -15 -0.05 3.88 -2 0 -16 11.28 6.50 4 0 -17 -1.10 4.18 4 0 -16 719.46 41.73 4 0 -15 3.83 3.42 4 0 -14 10.22 4.60 4 0 -14 26.40 4.30 4 0 -13 1.22 1.98 4 0 -13 -1.52 2.78 4 0 -12 1329.35 56.24 4 0 -12 1325.86 51.30 4 0 -11 1.01 2.16 4 0 -11 -1.17 2.40 4 0 -10 40.21 4.58 -4 0 10 37.57 4.19 4 0 -9 -0.45 2.02 -4 0 9 1.06 1.62 4 0 -8 1755.39 61.07 -4 0 8 1720.10 50.52 4 0 -7 -1.08 2.05 -4 0 7 0.22 1.12 4 0 -6 273.86 11.47 -4 0 6 276.01 8.02 4 0 -5 0.17 1.63 -4 0 5 1.11 0.84 4 0 -4 7471.98 211.76 -4 0 4 7515.75 125.86 4 0 -3 3.78 1.56 -4 0 3 1.44 0.37 4 0 -2 3774.65 96.95 4 0 -2 3878.85 50.17 -4 0 2 3960.92 43.45 4 0 -1 0.36 0.37 4 0 -1 0.04 1.08 -4 0 1 0.38 0.46 4 0 0 35.78 2.20 -4 0 0 39.83 1.99 4 0 1 0.31 1.10 -4 0 -1 1.49 0.90 -4 0 -2 2762.75 66.05 4 0 3 2.53 0.91 -4 0 -3 1.33 1.45 4 0 4 3651.17 80.27 -4 0 -4 3791.88 109.92 4 0 5 2.00 0.95 -4 0 -5 0.37 1.98 -4 0 -6 224.31 5.85 -4 0 -6 237.08 11.61 -4 0 -7 -0.70 2.27 -4 0 -7 -0.05 0.71 -4 0 -8 2257.14 90.02 -4 0 -10 11.76 4.76 -4 0 -11 2.59 3.51 -4 0 -12 1178.93 64.93 -4 0 -13 2.52 4.14 -4 0 -14 177.83 17.76 -4 0 -15 -1.51 4.91 6 0 -16 14.07 4.69 6 0 -15 3.69 3.54 6 0 -15 1.96 3.11 6 0 -14 904.83 40.78 6 0 -14 775.62 36.64 6 0 -13 -1.36 2.81 6 0 -12 145.29 10.48 6 0 -12 139.04 10.87 6 0 -11 -0.89 2.35 -6 0 11 0.41 1.73 6 0 -10 1453.95 59.20 -6 0 10 1438.28 48.08 6 0 -9 1.01 2.83 -6 0 9 2.37 1.64 6 0 -8 162.25 10.74 -6 0 8 176.32 6.66 6 0 -7 1.00 2.28 -6 0 7 0.57 1.21 6 0 -6 2428.41 85.70 -6 0 6 2365.33 49.65 6 0 -5 8.81 2.33 -6 0 5 0.74 0.67 6 0 -4 1265.09 43.69 -6 0 4 1229.06 18.39 6 0 -3 1.28 1.76 -6 0 3 0.37 0.29 6 0 -2 6197.01 192.92 -6 0 2 6256.83 93.90 6 0 -1 2.08 1.64 -6 0 1 -0.51 0.69 6 0 0 350.97 13.60 -6 0 0 358.95 10.25 6 0 1 0.34 1.65 -6 0 -1 0.93 1.37 6 0 2 1646.34 46.07 -6 0 -2 1656.55 47.01 -6 0 -3 3.23 1.88 6 0 4 4.91 1.65 -6 0 -4 4.92 2.39 6 0 5 -0.33 1.19 -6 0 -5 1.70 2.10 6 0 6 2866.95 77.80 -6 0 -6 2915.10 113.59 -6 0 -7 -1.01 0.94 -6 0 -7 -0.49 3.52 -6 0 -8 11.56 4.55 -6 0 -9 0.72 3.33 -6 0 -10 242.21 17.61 -6 0 -11 -3.48 4.08 -6 0 -12 87.15 11.33 -6 0 -13 2.75 4.85 8 0 -16 69.21 10.73 8 0 -16 81.81 8.95 8 0 -15 0.28 2.32 8 0 -15 0.94 3.25 8 0 -14 24.90 4.26 8 0 -14 32.23 7.37 8 0 -13 8.91 2.88 8 0 -13 -2.14 3.97 8 0 -12 575.55 25.80 8 0 -12 586.28 34.51 8 0 -11 -2.98 3.00 -8 0 11 0.31 1.61 8 0 -10 167.69 13.66 -8 0 10 163.01 7.04 8 0 -9 11.48 3.49 -8 0 9 -0.13 1.23 8 0 -8 3002.11 127.49 -8 0 8 3123.38 78.35 8 0 -7 -0.16 2.66 -8 0 7 0.17 0.89 8 0 -6 628.68 29.08 -8 0 6 599.15 12.01 8 0 -5 12.19 2.91 -8 0 5 1.32 0.45 8 0 -4 3703.13 143.25 -8 0 4 3813.47 56.27 8 0 -3 -1.30 2.10 -8 0 3 -0.03 0.35 8 0 -2 209.04 10.77 -8 0 2 188.41 4.21 8 0 -1 -0.09 2.25 -8 0 1 2.50 1.21 8 0 0 2044.19 72.90 -8 0 0 2069.36 57.72 8 0 1 5.11 2.13 -8 0 -1 1.83 2.25 8 0 2 225.02 11.20 -8 0 -2 239.76 11.64 8 0 3 8.39 1.90 -8 0 -3 1.03 2.57 8 0 4 1558.99 51.60 -8 0 -4 1555.30 59.78 8 0 5 -0.56 1.33 -8 0 -5 4.16 2.47 8 0 6 81.62 4.89 -8 0 -6 77.53 8.33 -8 0 -7 0.30 3.64 -8 0 -8 792.29 44.84 -8 0 -9 0.94 3.42 -8 0 -10 65.14 9.34 -8 0 -11 -3.71 4.77 -8 0 -12 368.88 28.06 10 0 -16 54.70 9.27 10 0 -15 0.81 3.73 10 0 -14 476.63 31.77 10 0 -13 0.29 3.72 10 0 -12 -5.89 4.82 10 0 -11 1.06 3.93 10 0 -10 1203.40 60.43 -10 0 10 1010.31 29.92 10 0 -9 -1.72 3.97 10 0 -8 9.29 4.91 10 0 -7 0.23 3.25 10 0 -6 1808.07 85.21 10 0 -5 0.68 3.30 10 0 -4 7.62 3.98 10 0 -3 1.25 2.94 10 0 -2 906.92 39.29 -10 0 2 742.55 17.00 10 0 -1 -1.44 2.57 -10 0 1 0.73 1.17 10 0 0 245.52 14.25 -10 0 0 236.91 10.07 10 0 1 2.18 2.62 -10 0 -1 2.05 2.01 10 0 2 2484.65 100.95 -10 0 -2 2702.01 98.41 10 0 3 -1.58 1.90 -10 0 -3 3.57 2.73 -10 0 -4 237.94 14.42 10 0 5 4.66 2.82 -10 0 -6 562.05 30.78 -10 0 -7 2.97 3.81 -10 0 -8 0.06 3.17 -10 0 -9 -0.10 4.27 -10 0 -10 719.97 46.87 12 0 -16 353.19 28.16 12 0 -15 0.39 4.53 12 0 -14 146.97 17.44 12 0 -13 -1.58 4.91 12 0 -12 1191.43 73.83 12 0 -11 -1.74 4.85 12 0 -10 131.63 15.47 12 0 -9 -1.40 4.63 12 0 -8 1080.31 60.47 12 0 -7 5.06 4.72 12 0 -6 16.08 5.93 12 0 -5 -0.83 3.57 12 0 -4 302.03 22.21 12 0 -3 0.50 3.46 12 0 -2 37.90 7.11 12 0 -1 -1.91 3.47 12 0 0 846.68 44.02 -12 0 0 903.66 33.16 12 0 1 10.74 3.69 -12 0 -1 2.90 2.81 12 0 2 107.72 9.73 -12 0 -2 112.38 9.85 12 0 3 -0.44 3.56 -12 0 -3 3.78 2.81 12 0 4 1356.71 63.66 -12 0 -4 1403.73 67.09 -12 0 -5 0.95 3.37 -12 0 -6 76.78 9.92 -12 0 -7 0.97 3.90 -12 0 -8 439.78 35.49 14 0 -14 474.30 38.30 14 0 -13 2.66 5.72 14 0 -12 102.16 14.92 14 0 -11 0.02 4.32 14 0 -10 451.16 35.20 14 0 -9 -2.45 5.28 14 0 -8 33.52 9.15 14 0 -7 0.08 4.21 14 0 -6 1024.47 66.98 14 0 -5 -1.09 4.57 14 0 -4 77.51 11.75 14 0 -3 -2.25 4.57 14 0 -2 825.27 50.88 14 0 0 -1.94 4.62 14 0 1 2.53 4.85 14 0 2 336.10 22.35 16 0 -12 316.00 38.91 16 0 -11 2.85 6.61 16 0 -10 9.79 7.79 16 0 -9 -4.45 6.91 16 0 -8 294.99 31.01 16 0 -7 3.12 6.29 16 0 -6 0.33 5.13 16 0 -5 -5.31 6.45 16 0 -4 551.63 48.03 16 0 -3 -0.64 4.94 16 0 -2 177.40 19.24 16 0 -1 -5.48 5.67 16 0 0 769.78 52.24 17 1 -2 0.73 4.82 17 1 -3 396.68 35.49 17 1 -4 5.56 7.07 17 1 -5 10.67 9.93 17 1 -6 6.54 7.82 17 1 -7 254.00 30.21 17 1 -8 20.98 10.60 17 1 -9 7.71 10.40 17 1 -10 23.27 10.76 15 1 1 51.47 8.48 15 1 0 34.70 7.57 15 1 -1 619.25 41.47 15 1 -2 0.16 3.93 15 1 -3 29.49 8.62 15 1 -4 2.61 5.50 15 1 -5 733.92 54.68 15 1 -6 70.65 12.92 15 1 -7 156.45 19.40 15 1 -8 21.51 8.82 15 1 -9 539.31 43.97 15 1 -10 10.87 8.18 15 1 -11 6.14 7.37 15 1 -12 22.07 10.02 15 1 -13 193.70 24.44 -13 -1 -6 12.09 6.39 -13 -1 -5 399.33 28.62 -13 -1 -4 60.80 8.59 -13 -1 -3 65.13 7.40 -13 -1 -2 0.06 3.97 13 1 2 6.46 3.50 -13 -1 -1 695.57 32.25 13 1 1 740.57 39.76 13 1 0 3.32 4.61 13 1 -1 3.81 5.01 13 1 -2 25.61 6.86 13 1 -3 309.39 24.27 13 1 -4 41.89 8.41 13 1 -5 6.56 5.24 13 1 -6 7.65 6.11 13 1 -7 1487.90 89.88 13 1 -8 94.23 14.20 13 1 -9 271.14 25.21 13 1 -10 85.49 14.49 13 1 -11 846.46 60.10 13 1 -12 18.02 8.73 13 1 -13 7.18 6.78 13 1 -14 16.82 8.09 13 1 -15 307.60 33.86 -11 -1 -9 55.16 10.67 -11 -1 -8 44.77 11.61 -11 -1 -7 670.52 42.98 -11 -1 -6 43.19 8.22 -11 -1 -5 76.04 9.34 -11 -1 -4 11.09 4.41 11 1 4 9.76 2.83 -11 -1 -3 1429.22 60.20 11 1 3 972.87 46.24 -11 -1 -2 8.82 3.37 11 1 2 3.46 3.53 -11 -1 -1 154.91 9.94 11 1 1 149.50 10.53 -11 -1 0 13.96 2.72 11 1 0 13.24 4.28 -11 -1 1 1383.10 45.12 11 1 -1 1429.86 66.50 -11 -1 2 88.96 4.68 11 1 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24.53 1 -7 -3 567.41 31.81 -1 7 3 538.71 28.99 1 -7 -2 2.71 4.14 -1 7 2 5.29 3.75 1 -7 -1 216.22 15.82 -1 7 1 204.20 15.84 1 -7 0 457.27 26.27 -1 7 0 400.69 25.64 1 -7 1 148.62 11.71 -1 7 -1 143.34 13.06 1 -7 2 718.49 38.09 -1 7 -2 693.95 40.99 1 -7 3 226.43 15.92 -1 7 -3 233.73 19.18 1 -7 4 14.34 5.18 -1 7 -4 9.69 5.86 1 -7 5 291.03 20.43 -1 7 -5 333.59 26.14 1 -7 6 16.81 5.98 -1 7 -6 26.28 8.07 1 -7 7 502.80 29.67 -1 7 -7 601.60 40.19 1 -7 8 72.96 10.39 -1 7 -8 70.15 12.88 1 -7 9 238.75 19.96 -1 7 -9 259.52 24.18 1 -7 10 135.51 18.05 -1 7 -10 160.56 19.86 1 -7 11 126.11 15.41 -1 7 -11 138.73 18.42 3 -7 -12 101.10 14.17 3 -7 -11 204.60 19.41 3 -7 -10 28.88 7.86 3 -7 -9 472.42 34.38 3 -7 -8 267.02 15.49 3 -7 -8 266.15 23.33 3 -7 -7 197.15 14.36 3 -7 -7 196.23 15.13 3 -7 -6 232.17 16.44 3 -7 -6 241.30 17.07 3 -7 -5 136.19 10.54 3 -7 -5 119.73 10.48 3 -7 -4 112.74 10.64 3 -7 -4 101.94 9.82 3 -7 -3 230.59 15.30 3 -7 -2 55.60 7.37 -3 7 2 61.48 8.54 3 -7 -1 426.83 23.28 -3 7 1 505.91 30.18 3 -7 0 141.87 12.00 -3 7 0 156.23 14.56 3 -7 1 723.11 35.90 -3 7 -1 749.52 41.45 3 -7 2 331.45 20.27 -3 7 -2 329.22 23.10 3 -7 3 360.35 21.03 -3 7 -3 357.70 24.21 3 -7 4 17.27 5.10 -3 7 -4 18.34 6.33 3 -7 5 358.81 21.30 -3 7 -5 388.89 26.47 3 -7 6 109.76 11.21 -3 7 -6 97.83 13.17 3 -7 7 298.66 22.15 -3 7 -7 310.82 24.02 3 -7 8 126.38 13.19 -3 7 -8 141.36 16.66 3 -7 9 44.05 8.84 -3 7 -9 42.10 10.14 3 -7 10 62.29 10.33 -3 7 -10 62.57 12.06 5 -7 -11 343.36 25.41 5 -7 -10 128.35 13.24 5 -7 -9 323.38 19.57 5 -7 -9 288.00 20.20 5 -7 -8 76.90 9.00 5 -7 -8 87.30 10.93 5 -7 -7 137.59 11.75 5 -7 -7 149.10 12.05 5 -7 -6 41.20 5.99 5 -7 -6 44.36 8.32 5 -7 -5 250.79 15.77 5 -7 -5 265.94 18.68 5 -7 -4 67.15 6.95 5 -7 -4 87.58 9.85 5 -7 -3 147.20 12.32 5 -7 -3 168.12 14.38 5 -7 -2 585.61 36.07 5 -7 -2 598.73 28.76 5 -7 -1 298.59 20.61 5 -7 -1 267.25 17.22 5 -7 0 1.84 4.17 5 -7 0 3.63 3.13 5 -7 1 474.16 24.62 5 -7 2 33.24 7.16 -5 7 -2 40.84 8.44 5 -7 3 329.96 18.94 -5 7 -3 391.06 27.26 5 -7 4 501.13 29.75 -5 7 -4 539.62 34.63 5 -7 5 505.14 29.43 -5 7 -5 478.00 34.34 5 -7 6 107.41 11.43 -5 7 -6 96.67 13.17 5 -7 7 207.79 17.78 -5 7 -7 217.18 20.39 5 -7 8 51.33 9.18 -5 7 -8 44.78 9.90 5 -7 9 104.47 13.09 -5 7 -9 94.78 15.55 7 -7 -10 72.11 9.98 7 -7 -9 58.78 7.89 7 -7 -8 18.77 6.82 7 -7 -7 31.64 6.73 7 -7 -6 152.56 10.42 7 -7 -6 149.19 13.64 7 -7 -5 231.15 12.82 7 -7 -5 212.76 19.33 7 -7 -4 238.45 20.13 7 -7 -4 226.57 15.05 7 -7 -3 492.01 34.29 7 -7 -3 459.61 22.43 7 -7 -2 39.13 9.08 7 -7 -2 43.97 6.55 7 -7 -1 602.99 40.08 7 -7 -1 607.03 30.97 7 -7 0 288.71 24.36 7 -7 0 288.95 18.68 7 -7 1 237.39 15.62 7 -7 1 229.92 20.16 7 -7 2 87.67 8.57 7 -7 2 59.82 11.41 7 -7 3 269.35 18.28 -7 7 -3 274.46 24.19 7 -7 4 112.31 10.88 -7 7 -4 122.10 15.25 7 -7 5 223.66 19.02 -7 7 -5 181.31 18.91 7 -7 6 57.69 8.72 -7 7 -6 45.73 10.04 7 -7 7 55.27 9.66 -7 7 -7 61.43 10.87 7 -7 8 35.42 8.17 -7 7 -8 32.46 9.27 9 -7 -11 138.75 14.22 9 -7 -10 44.85 8.44 9 -7 -9 70.22 10.81 9 -7 -8 111.14 15.31 9 -7 -7 117.73 13.77 9 -7 -6 107.53 12.99 9 -7 -5 128.14 14.32 9 -7 -4 71.02 11.32 9 -7 -3 276.40 25.62 9 -7 -2 72.19 13.01 9 -7 -1 331.34 28.92 9 -7 0 247.00 24.06 9 -7 1 213.62 21.92 9 -7 2 58.01 10.82 9 -7 3 269.38 25.49 -9 7 -4 1.65 5.28 -9 7 -5 149.95 19.10 11 -7 -10 33.82 9.44 11 -7 -9 47.35 10.51 11 -7 -8 124.03 16.23 11 -7 -7 273.36 25.85 11 -7 -6 8.32 6.73 11 -7 -5 384.36 31.72 11 -7 -4 77.17 13.13 11 -7 -3 291.75 26.14 11 -7 -2 93.59 14.03 11 -7 -1 95.83 15.61 11 -7 0 -1.85 5.89 11 -7 1 72.40 14.29 11 -7 2 85.17 18.47 -10 -8 -1 18.65 8.17 -10 -8 0 76.53 13.79 -10 -8 1 59.12 14.21 -10 -8 2 85.95 14.47 10 8 -2 106.93 18.42 -10 -8 3 58.42 12.57 10 8 -3 63.37 16.29 -10 -8 4 294.18 30.01 10 8 -4 363.21 38.80 -10 -8 5 1.61 6.06 10 8 -5 14.05 8.20 -10 -8 6 110.97 16.08 10 8 -6 126.80 21.38 -10 -8 7 118.97 17.81 10 8 -7 118.15 21.87 -8 -8 -4 139.95 21.73 -8 -8 -3 3.50 6.02 -8 -8 -2 219.70 21.97 -8 -8 -1 106.84 14.54 -8 -8 0 100.43 15.30 8 8 0 95.78 13.92 -8 -8 1 37.50 9.82 8 8 -1 48.96 12.87 -8 -8 2 313.36 26.87 8 8 -2 320.42 35.77 -8 -8 3 50.69 14.55 8 8 -3 66.28 13.88 -8 -8 4 174.77 21.18 8 8 -4 183.57 23.72 -8 -8 5 221.56 23.01 8 8 -5 249.17 29.46 -8 -8 6 144.98 16.86 8 8 -6 169.27 23.91 -8 -8 7 4.22 5.46 8 8 -7 5.52 8.37 -8 -8 8 -4.73 5.85 8 8 -8 25.68 8.64 -8 -8 9 65.24 11.36 8 8 -9 54.18 16.68 -6 -8 -6 188.71 20.41 -6 -8 -5 22.73 8.15 -6 -8 -4 331.22 29.22 -6 -8 -3 222.87 24.48 -6 -8 -2 60.36 10.47 6 8 2 58.53 11.17 -6 -8 -1 69.76 11.75 6 8 1 75.78 12.96 -6 -8 0 386.76 35.31 6 8 0 355.84 28.35 -6 -8 1 82.91 13.37 6 8 -1 100.38 13.86 -6 -8 2 253.14 24.40 6 8 -2 277.46 24.75 -6 -8 3 77.75 12.11 6 8 -3 91.84 14.27 -6 -8 4 182.15 18.18 6 8 -4 191.17 22.22 -6 -8 5 142.94 16.46 6 8 -5 128.96 19.32 -6 -8 6 106.45 13.39 6 8 -6 88.91 16.63 -6 -8 7 23.36 7.58 6 8 -7 10.57 9.94 -6 -8 8 156.34 16.81 6 8 -8 145.74 22.47 -6 -8 9 54.01 10.61 6 8 -9 54.70 14.42 -6 -8 10 103.88 14.78 6 8 -10 114.89 19.65 -4 -8 -8 30.57 9.94 -4 -8 -7 100.18 15.73 -4 -8 -6 298.41 26.35 -4 -8 -5 70.75 11.69 -4 -8 -4 299.65 26.08 -4 -8 -3 84.77 12.39 4 8 3 74.36 12.29 -4 -8 -2 357.99 28.10 4 8 2 383.56 27.57 -4 -8 -1 48.68 9.86 4 8 1 39.33 8.58 -4 -8 0 330.60 27.09 4 8 0 366.31 30.67 -4 -8 1 294.74 24.47 4 8 -1 280.12 24.92 -4 -8 2 421.22 31.50 4 8 -2 363.53 30.98 -4 -8 3 35.46 7.97 4 8 -3 31.40 10.11 -4 -8 4 110.58 14.17 4 8 -4 102.77 15.99 -4 -8 5 7.77 4.96 4 8 -5 -0.67 6.66 -4 -8 6 87.31 12.66 4 8 -6 84.44 16.04 -4 -8 7 371.33 28.68 4 8 -7 412.84 37.88 -4 -8 8 162.37 18.00 4 8 -8 199.00 24.23 -4 -8 9 5.10 5.70 4 8 -9 4.23 7.58 -4 -8 10 401.43 30.74 4 8 -10 452.97 42.06 -4 -8 11 52.69 10.86 4 8 -11 38.96 14.06 -2 -8 -9 15.75 7.98 -2 -8 -8 208.54 21.91 -2 -8 -7 124.51 15.54 -2 -8 -6 137.15 15.71 -2 -8 -5 95.38 13.22 -2 -8 -4 130.40 15.36 2 8 4 125.53 12.01 -2 -8 -3 4.05 5.04 2 8 3 5.48 4.22 -2 -8 -2 286.80 23.79 2 8 2 263.97 22.90 -2 -8 -1 198.28 19.88 2 8 1 186.44 17.29 -2 -8 0 434.11 31.13 2 8 0 439.20 34.88 -2 -8 1 63.56 11.38 2 8 -1 76.81 11.37 -2 -8 2 194.31 17.54 2 8 -2 202.13 20.23 -2 -8 3 179.14 17.78 2 8 -3 163.09 19.24 -2 -8 4 489.95 33.28 2 8 -4 549.10 42.13 -2 -8 5 141.14 15.36 2 8 -5 140.29 18.74 -2 -8 6 157.15 16.67 2 8 -6 167.94 20.88 -2 -8 7 47.68 9.46 2 8 -7 41.88 12.03 -2 -8 8 317.40 25.57 2 8 -8 306.61 31.37 -2 -8 9 90.07 12.88 2 8 -9 125.10 17.90 -2 -8 10 137.66 17.68 2 8 -10 158.12 26.54 0 -8 -10 132.54 17.65 0 -8 -9 138.03 17.64 0 -8 -8 365.49 28.05 0 -8 -7 5.30 5.30 0 -8 -6 500.51 35.72 0 8 6 505.97 28.68 0 -8 -5 86.59 11.86 0 8 5 78.81 8.53 0 -8 -4 101.53 12.01 0 8 4 85.84 11.34 0 -8 -3 355.49 26.53 0 8 3 322.05 21.86 0 -8 -2 218.98 18.94 0 8 2 212.12 19.05 0 -8 -1 54.20 9.43 0 8 1 50.15 8.71 0 -8 0 74.11 10.56 0 8 0 53.56 11.63 0 -8 1 57.13 8.96 0 8 -1 58.67 10.77 0 -8 2 234.53 20.08 0 8 -2 243.78 22.40 0 -8 3 318.49 23.40 0 8 -3 340.47 27.96 0 -8 4 89.23 12.18 0 8 -4 99.78 14.23 0 -8 5 84.20 11.86 0 8 -5 109.08 14.85 0 -8 6 512.38 35.43 0 8 -6 518.33 41.14 0 -8 7 5.06 6.44 0 8 -7 28.30 8.29 0 -8 8 355.90 26.56 0 8 -8 415.14 36.54 0 -8 9 119.49 15.53 0 8 -9 128.69 19.42 0 -8 10 140.92 16.94 0 8 -10 143.54 24.47 2 -8 -10 123.86 16.49 2 -8 -9 92.55 12.93 2 -8 -8 281.21 26.02 2 -8 -7 56.27 10.77 -2 8 7 34.04 7.22 2 -8 -6 162.18 15.73 -2 8 6 143.87 12.21 2 -8 -5 148.82 13.47 -2 8 5 125.89 11.81 2 -8 -4 543.35 34.60 -2 8 4 455.70 28.24 2 -8 -3 147.89 14.59 -2 8 3 143.25 13.34 2 -8 -2 213.51 18.14 -2 8 2 189.97 16.33 2 -8 -1 54.49 7.83 -2 8 1 43.91 8.63 2 -8 0 402.55 25.22 -2 8 0 399.21 27.58 2 -8 1 206.79 16.96 -2 8 -1 176.79 17.35 2 -8 2 276.23 19.53 -2 8 -2 265.89 25.53 2 -8 3 5.41 5.11 -2 8 -3 9.73 5.94 2 -8 4 116.32 15.13 -2 8 -4 103.02 14.55 2 -8 5 112.13 12.25 -2 8 -5 88.76 14.33 2 -8 6 108.73 12.20 -2 8 -6 137.72 17.11 2 -8 7 129.03 13.65 -2 8 -7 135.09 18.08 2 -8 8 219.79 23.45 -2 8 -8 224.92 24.02 2 -8 9 8.80 6.06 -2 8 -9 8.63 7.63 4 -8 -10 437.84 31.87 4 -8 -9 -1.34 5.32 4 -8 -8 167.24 19.11 4 -8 -7 357.14 24.80 4 -8 -6 89.77 7.96 4 -8 -6 2.23 4.00 4 -8 -5 5.38 5.25 -4 8 5 2.49 4.25 4 -8 -4 108.71 11.02 -4 8 4 100.97 11.68 4 -8 -3 30.66 6.64 -4 8 3 36.12 7.56 4 -8 -2 324.82 20.62 -4 8 2 387.59 26.61 4 -8 -1 249.50 20.77 -4 8 1 272.84 21.76 4 -8 0 309.00 19.60 -4 8 0 281.44 22.12 4 -8 1 27.31 8.20 -4 8 -1 38.54 8.06 4 -8 2 356.18 23.38 -4 8 -2 346.28 25.82 4 -8 3 74.86 9.78 -4 8 -3 74.91 11.48 4 -8 4 330.88 25.42 -4 8 -4 290.25 25.28 4 -8 5 80.51 11.35 -4 8 -5 64.44 11.86 4 -8 6 374.42 30.28 -4 8 -6 332.05 29.18 4 -8 7 98.24 13.44 -4 8 -7 119.70 18.23 4 -8 8 29.96 8.66 -4 8 -8 43.88 10.75 6 -8 -9 44.52 9.28 6 -8 -8 154.67 14.09 6 -8 -7 16.73 6.02 6 -8 -6 78.57 9.83 6 -8 -6 105.67 11.86 6 -8 -5 111.00 9.60 6 -8 -5 126.22 13.61 6 -8 -4 193.22 16.55 6 -8 -4 165.84 13.46 6 -8 -3 81.42 11.24 6 -8 -3 79.79 8.63 6 -8 -2 220.02 20.12 6 -8 -2 240.06 16.03 6 -8 -1 82.57 12.07 6 -8 -1 81.53 10.82 6 -8 0 343.71 22.89 -6 8 0 359.28 28.98 6 -8 1 81.05 11.10 -6 8 -1 61.15 12.49 6 -8 2 53.55 8.16 -6 8 -2 51.18 11.08 6 -8 3 188.94 14.58 -6 8 -3 156.56 18.36 6 -8 4 347.95 27.50 -6 8 -4 302.14 27.26 6 -8 5 17.97 6.44 -6 8 -5 17.56 7.91 6 -8 6 189.54 18.07 -6 8 -6 188.55 20.73 8 -8 -9 55.25 10.19 8 -8 -8 3.39 5.04 8 -8 -7 25.96 10.21 8 -8 -6 160.33 18.35 8 -8 -5 240.63 23.54 8 -8 -4 172.48 18.88 8 -8 -3 65.18 11.82 8 -8 -2 306.78 27.93 8 -8 -1 32.14 9.01 8 -8 0 86.71 13.36 8 -8 1 116.66 15.36 -8 8 -2 229.03 24.40 -8 8 -3 5.58 6.57 -8 8 -4 137.55 17.37 10 -8 -7 108.73 17.07 10 -8 -6 118.46 17.38 10 -8 -5 26.59 9.73 10 -8 -4 356.35 33.33 10 -8 -3 65.56 14.06 10 -8 -2 88.06 15.56 10 -8 -1 48.11 12.12 10 -8 0 59.82 16.32 10 -8 1 28.65 11.74 -7 -9 -2 2.62 6.27 -7 -9 -1 116.10 17.63 -7 -9 0 90.92 17.70 -7 -9 1 19.97 8.74 7 9 -1 18.49 10.72 -7 -9 2 39.59 11.12 7 9 -2 34.68 11.30 -7 -9 3 312.44 29.10 7 9 -3 307.24 31.22 -7 -9 4 2.36 7.39 7 9 -4 2.06 6.81 -7 -9 5 91.12 16.32 7 9 -5 99.26 17.69 -7 -9 6 69.66 13.05 7 9 -6 71.93 16.82 -5 -9 -4 21.21 8.59 -5 -9 -3 247.59 24.76 -5 -9 -2 17.44 8.45 -5 -9 -1 20.96 8.38 5 9 1 15.58 9.00 -5 -9 0 106.35 15.83 5 9 0 107.13 19.35 -5 -9 1 219.71 24.19 5 9 -1 223.00 24.81 -5 -9 2 102.90 15.19 5 9 -2 119.72 18.16 -5 -9 3 229.76 23.51 5 9 -3 243.71 27.87 -5 -9 4 -2.20 5.40 5 9 -4 4.79 6.28 -5 -9 5 442.33 36.43 5 9 -5 482.89 45.93 -5 -9 6 136.79 18.48 5 9 -6 138.71 21.68 -5 -9 7 54.26 12.57 5 9 -7 67.46 15.46 -3 -9 -6 18.97 8.70 -3 -9 -5 204.93 23.09 -3 -9 -4 76.80 13.10 -3 -9 -3 25.76 9.04 -3 -9 -2 207.64 22.41 3 9 2 182.68 18.89 -3 -9 -1 292.36 27.19 3 9 1 273.00 24.59 -3 -9 0 8.60 6.74 3 9 0 4.42 6.25 -3 -9 1 415.94 34.73 3 9 -1 392.73 34.30 -3 -9 2 133.24 16.45 3 9 -2 98.96 17.40 -3 -9 3 538.45 43.28 3 9 -3 546.84 44.33 -3 -9 4 133.09 16.73 3 9 -4 134.30 19.85 -3 -9 5 80.69 13.45 3 9 -5 84.81 16.46 -3 -9 6 4.83 5.92 3 9 -6 4.25 7.44 -3 -9 7 189.16 21.77 3 9 -7 211.39 26.66 -3 -9 8 20.70 9.10 3 9 -8 33.51 12.01 -1 -9 -7 174.15 21.06 -1 -9 -6 138.24 21.33 -1 -9 -5 22.43 8.14 -1 -9 -4 52.87 11.67 1 9 4 56.37 9.18 -1 -9 -3 91.93 17.45 1 9 3 97.47 14.83 -1 -9 -2 10.04 7.08 1 9 2 14.25 6.38 -1 -9 -1 83.77 13.87 1 9 1 79.25 12.44 -1 -9 0 82.23 14.06 1 9 0 77.29 15.91 -1 -9 1 654.42 44.61 1 9 -1 626.31 46.84 -1 -9 2 54.55 11.28 1 9 -2 35.75 11.34 -1 -9 3 170.54 18.35 1 9 -3 169.54 24.55 -1 -9 4 17.87 8.31 1 9 -4 28.65 11.42 -1 -9 5 180.75 19.87 1 9 -5 165.42 22.92 -1 -9 6 36.17 9.74 1 9 -6 34.67 11.87 -1 -9 7 62.91 12.61 1 9 -7 78.75 16.08 -1 -9 8 39.51 11.51 1 9 -8 45.83 13.51 1 -9 -8 44.50 13.38 1 -9 -7 74.07 11.92 1 -9 -6 35.25 8.78 1 -9 -5 177.98 18.61 -1 9 5 136.90 14.10 1 -9 -4 24.39 7.64 -1 9 4 14.43 6.09 1 -9 -3 162.18 17.33 -1 9 3 150.50 18.06 1 -9 -2 64.77 10.96 -1 9 2 40.40 9.66 1 -9 -1 639.11 42.18 -1 9 1 591.34 40.78 1 -9 0 90.08 12.07 -1 9 0 68.81 12.44 1 -9 1 92.39 13.49 -1 9 -1 84.03 13.09 1 -9 2 17.00 6.78 -1 9 -2 20.72 8.40 1 -9 3 107.05 13.81 -1 9 -3 90.82 15.70 1 -9 4 56.75 10.72 -1 9 -4 70.09 13.19 1 -9 5 22.24 7.95 -1 9 -5 22.83 9.31 1 -9 6 110.08 15.18 -1 9 -6 112.90 17.79 1 -9 7 147.52 16.51 -1 9 -7 177.82 22.92 3 -9 -8 30.58 10.74 3 -9 -7 206.25 23.24 3 -9 -6 0.72 5.57 -3 9 6 0.90 3.36 3 -9 -5 70.20 11.47 -3 9 5 86.36 12.07 3 -9 -4 151.10 17.97 -3 9 4 126.93 14.14 3 -9 -3 551.87 38.33 -3 9 3 479.98 34.48 3 -9 -2 103.45 12.56 -3 9 2 112.53 13.33 3 -9 -1 388.30 27.88 -3 9 1 326.32 30.59 3 -9 0 0.66 4.24 -3 9 0 5.91 5.13 3 -9 1 250.09 20.55 -3 9 -1 258.55 22.88 3 -9 2 174.88 17.83 -3 9 -2 177.99 19.75 3 -9 3 17.97 6.56 -3 9 -3 14.76 7.54 3 -9 4 74.31 11.84 -3 9 -4 76.31 13.25 3 -9 5 174.30 16.99 -3 9 -5 189.31 22.60 3 -9 6 18.61 6.32 -3 9 -6 9.15 8.61 -5 9 7 49.24 9.11 -5 9 6 114.02 13.42 5 -9 -5 400.95 31.99 -5 9 5 417.89 30.05 5 -9 -4 1.81 3.73 -5 9 4 -1.92 5.18 5 -9 -3 191.08 18.46 -5 9 3 216.63 21.13 5 -9 -2 103.57 13.54 -5 9 2 100.73 13.23 5 -9 -1 179.25 17.37 -5 9 1 181.84 18.79 5 -9 0 107.66 13.68 -5 9 0 86.67 13.44 5 -9 1 22.03 7.96 -5 9 -1 22.62 7.84 5 -9 2 9.11 6.97 -5 9 -2 13.18 6.82 5 -9 3 277.86 25.35 -5 9 -3 229.74 24.38 5 -9 4 26.21 6.76 -5 9 -4 17.08 8.65 7 -9 -6 53.59 10.23 7 -9 -5 87.79 13.07 7 -9 -4 8.54 7.85 7 -9 -3 300.56 27.05 -7 9 2 52.74 11.53 -7 9 1 17.84 8.41 -7 9 0 87.14 14.73 -7 9 -1 115.35 17.35 -7 9 -2 -0.54 4.85 -2 -10 -2 26.61 10.12 -2 -10 -1 21.50 10.88 2 10 1 33.59 9.73 -2 -10 0 302.77 30.33 2 10 0 319.43 31.55 -2 -10 1 40.94 11.55 2 10 -1 51.30 12.75 -2 -10 2 164.25 22.22 2 10 -2 126.61 24.95 -2 -10 3 22.82 8.95 2 10 -3 14.70 10.23 0 -10 -3 32.17 10.18 0 -10 -2 194.68 22.13 0 10 2 161.79 20.01 0 -10 -1 31.29 9.28 0 10 1 26.56 9.79 0 -10 0 47.91 11.64 0 10 0 52.58 12.27 0 -10 1 34.30 10.55 0 10 -1 25.45 10.59 0 -10 2 164.64 20.07 0 10 -2 168.69 21.95 0 -10 3 34.24 10.38 0 10 -3 25.50 11.27 2 -10 -3 34.43 9.69 -2 10 3 28.05 8.58 2 -10 -2 124.06 18.25 -2 10 2 108.79 15.37 2 -10 -1 58.17 11.92 -2 10 1 39.39 10.74 2 -10 0 333.40 29.24 -2 10 0 258.10 26.92 2 -10 1 19.96 8.11 -2 10 -1 20.08 9.15 2 -10 2 18.51 8.26 -2 10 -2 23.31 9.50 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 98093 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -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 C1 C 0.68648(15) 0.1265(2) 0.87754(14) 0.0282(4) Uani 1 1 d . . . C2 C 0.86559(15) 0.2916(2) 0.95607(14) 0.0241(4) Uani 1 1 d . . . C3 C 0.81002(14) 0.0449(2) 1.06452(14) 0.0251(4) Uani 1 1 d . . . C4 C 0.0978(2) 0.1297(3) 0.1424(2) 0.0517(6) Uani 1 1 d . . . H4D H 0.1495 0.0953 0.2050 0.078 Uiso 1 1 calc R U . H4E H 0.0884 0.0418 0.0915 0.078 Uiso 1 1 calc R U . H4F H 0.0340 0.1493 0.1557 0.078 Uiso 1 1 calc R U . Co1 Co 0.7500 0.2500 1.0000 0.01845(15) Uani 1 2 d S . P K1 K 0.5000 -0.21453(7) 0.7500 0.03047(17) Uani 0.77 2 d S T P N1 N 0.64979(17) 0.0505(3) 0.80383(14) 0.0499(6) Uani 1 1 d . . . N2 N 0.93561(14) 0.3186(2) 0.93017(14) 0.0356(4) Uani 1 1 d . . . N3 N 0.84323(14) -0.0813(2) 1.10225(15) 0.0394(5) Uani 1 1 d . . . N4 N 0.13040(13) 0.2861(2) 0.10437(15) 0.0334(4) Uani 1 1 d . . . H4A H 0.1345 0.3696 0.1494 0.050 Uiso 1 1 calc R U . H4B H 0.0847 0.3138 0.0439 0.050 Uiso 1 1 calc R U . H4C H 0.1918 0.2702 0.0966 0.050 Uiso 1 1 calc R U . Rb1 Rb 0.5000 -0.21453(7) 0.7500 0.03047(17) Uani 0.23 2 d S T P 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 C1 0.0293(10) 0.0267(9) 0.0267(10) 0.0017(8) 0.0065(8) -0.0052(8) C2 0.0252(10) 0.0210(8) 0.0253(9) 0.0018(7) 0.0069(8) 0.0004(7) C3 0.0222(10) 0.0259(9) 0.0279(10) 0.0012(7) 0.0089(8) -0.0032(7) C4 0.0689(17) 0.0349(13) 0.0518(14) 0.0050(11) 0.0200(13) -0.0033(12) Co1 0.0180(2) 0.0171(2) 0.0196(2) 0.00113(11) 0.00491(15) -0.00173(12) K1 0.0301(3) 0.0315(3) 0.0290(3) 0.000 0.0083(2) 0.000 N1 0.0629(14) 0.0471(12) 0.0345(10) -0.0102(9) 0.0083(10) -0.0205(10) N2 0.0316(10) 0.0377(10) 0.0420(10) 0.0048(8) 0.0180(9) -0.0002(8) N3 0.0370(11) 0.0320(10) 0.0495(11) 0.0132(8) 0.0145(9) 0.0070(8) N4 0.0293(11) 0.0378(9) 0.0322(9) 0.0006(8) 0.0084(8) -0.0083(7) Rb1 0.0301(3) 0.0315(3) 0.0290(3) 0.000 0.0083(2) 0.000 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' K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Rb Rb -0.9393 2.9676 '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 N1 C1 Co1 178.7(2) . . N2 C2 Co1 179.14(18) . . N3 C3 Co1 177.82(18) . . N4 C4 H4D 109.5 . . N4 C4 H4E 109.5 . . H4D C4 H4E 109.5 . . N4 C4 H4F 109.5 . . H4D C4 H4F 109.5 . . H4E C4 H4F 109.5 . . C1 Co1 C1 180.00(8) . 7_657 C1 Co1 C2 89.89(9) . 7_657 C1 Co1 C2 90.11(9) 7_657 7_657 C1 Co1 C2 90.11(9) . . C1 Co1 C2 89.89(9) 7_657 . C2 Co1 C2 180.0 7_657 . C1 Co1 C3 90.93(8) . 7_657 C1 Co1 C3 89.07(8) 7_657 7_657 C2 Co1 C3 90.72(8) 7_657 7_657 C2 Co1 C3 89.28(8) . 7_657 C1 Co1 C3 89.07(8) . . C1 Co1 C3 90.93(8) 7_657 . C2 Co1 C3 89.28(8) 7_657 . C2 Co1 C3 90.72(8) . . C3 Co1 C3 180.00(6) 7_657 . N1 K1 N1 86.07(10) 2_656 . N1 K1 N2 76.30(6) 2_656 3_445 N1 K1 N2 96.01(6) . 3_445 N1 K1 N2 96.01(6) 2_656 4_646 N1 K1 N2 76.30(6) . 4_646 N2 K1 N2 169.63(8) 3_445 4_646 N1 K1 N3 85.05(6) 2_656 8_445 N1 K1 N3 153.04(5) . 8_445 N2 K1 N3 106.48(6) 3_445 8_445 N2 K1 N3 79.39(5) 4_646 8_445 N1 K1 N3 153.04(6) 2_656 7_647 N1 K1 N3 85.05(6) . 7_647 N2 K1 N3 79.39(5) 3_445 7_647 N2 K1 N3 106.48(5) 4_646 7_647 N3 K1 N3 113.17(8) 8_445 7_647 C1 N1 K1 133.49(16) . . C2 N2 Rb1 139.84(16) . 3 C2 N2 K1 139.84(16) . 3 Rb1 N2 K1 0.0 3 3 C3 N3 Rb1 152.78(16) . 7_647 C3 N3 K1 152.78(16) . 7_647 Rb1 N3 K1 0.0 7_647 7_647 C4 N4 H4A 109.5 . . C4 N4 H4B 109.5 . . H4A N4 H4B 109.5 . . C4 N4 H4C 109.5 . . H4A N4 H4C 109.5 . . H4B N4 H4C 109.5 . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 C1 N1 1.142(3) . C1 Co1 1.891(2) . C2 N2 1.144(2) . C2 Co1 1.893(2) . C3 N3 1.144(2) . C3 Co1 1.8955(19) . C4 N4 1.460(3) . C4 H4D 0.9600 . C4 H4E 0.9600 . C4 H4F 0.9600 . Co1 C1 1.891(2) 7_657 Co1 C2 1.893(2) 7_657 Co1 C3 1.8955(19) 7_657 K1 N1 2.851(2) 2_656 K1 N1 2.851(2) . K1 N2 2.8831(19) 3_445 K1 N2 2.8831(19) 4_646 K1 N3 2.915(2) 8_445 K1 N3 2.9152(19) 7_647 N2 Rb1 2.8830(19) 3 N2 K1 2.8830(19) 3 N3 Rb1 2.9152(19) 7_647 N3 K1 2.9152(19) 7_647 N4 H4A 0.8900 . N4 H4B 0.8900 . N4 H4C 0.8900 .