#------------------------------------------------------------------------------
#$Date: 2021-10-20 05:23:25 +0300 (Wed, 20 Oct 2021) $
#$Revision: 270045 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/39/2243940.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2243940
loop_
_publ_author_name
'Homrani, Yasmina'
'Dahdouh, Abdelaziz'
'El Amrani, Mohamed Amin'
'Loxq, Pauline'
'Capet, Fr\'ed\'eric'
'Suisse, Isabelle'
'Sauthier, Mathieu'
_publ_section_title
;
Synthesis and crystal structure of a new chiral \a-aminooxime nickel(II)
complex
;
_journal_coeditor_code EX2048
_journal_issue 11
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first
;
;
_journal_paper_doi 10.1107/S2056989021010537
_journal_volume 77
_journal_year 2021
_chemical_absolute_configuration rmad
_chemical_formula_iupac '[Ni2 Cl2 (C16 H23 Cl N3 O)2]'
_chemical_formula_moiety 'C32 H46 Cl4 N6 Ni2 O2'
_chemical_formula_sum 'C32 H46 Cl4 N6 Ni2 O2'
_chemical_formula_weight 805.97
_chemical_name_systematic
'Dichloridobis{(2S,5R)-2-methyl-5-(prop-1-en-2-yl)-2-[(pyridin-2-yl)methylamino]cyclohexan-1-one oxime}dinickel(II)'
_space_group_crystal_system monoclinic
_space_group_IT_number 4
_space_group_name_Hall 'P 2yb'
_space_group_name_H-M_alt 'P 1 21 1'
_atom_sites_solution_hydrogens mixed
_atom_sites_solution_primary dual
_atom_sites_solution_secondary difmap
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_cell_angle_alpha 90
_cell_angle_beta 114.014(2)
_cell_angle_gamma 90
_cell_formula_units_Z 2
_cell_length_a 13.3729(9)
_cell_length_b 8.9363(7)
_cell_length_c 16.4248(16)
_cell_measurement_reflns_used 9996
_cell_measurement_temperature 100.02
_cell_measurement_theta_max 29.99
_cell_measurement_theta_min 2.65
_cell_volume 1792.9(3)
_computing_cell_refinement
;
SAINT (Bruker, 2019)
;
_computing_data_collection
;
APEX2 (Bruker, 2019)
;
_computing_data_reduction
;
SAINT(Bruker, 2019)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al., 2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al., 2009)
;
_computing_structure_refinement
;
ShelXL (Sheldrick, 2015b)
;
_computing_structure_solution
;
ShelXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature 100.02
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type 'Bruker APEXII CCD'
_diffrn_measurement_method '\f and \w scans'
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0368
_diffrn_reflns_av_unetI/netI 0.0457
_diffrn_reflns_limit_h_max 19
_diffrn_reflns_limit_h_min -17
_diffrn_reflns_limit_k_max 12
_diffrn_reflns_limit_k_min -12
_diffrn_reflns_limit_l_max 21
_diffrn_reflns_limit_l_min -23
_diffrn_reflns_number 42747
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 30.493
_diffrn_reflns_theta_min 1.357
_diffrn_source 'microfocus sealed X-ray tube'
_diffrn_standards_number 0
_exptl_absorpt_coefficient_mu 1.387
_exptl_absorpt_correction_T_max 0.7461
_exptl_absorpt_correction_T_min 0.6688
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al., 2015)
;
_exptl_crystal_colour green
_exptl_crystal_density_diffrn 1.493
_exptl_crystal_description block
_exptl_crystal_F_000 840
_exptl_crystal_size_max 0.21
_exptl_crystal_size_mid 0.17
_exptl_crystal_size_min 0.12
_refine_diff_density_max 1.502
_refine_diff_density_min -1.185
_refine_ls_abs_structure_details
;
Flack x determined using 3850 quotients
[(I^+^)-(I^-^)]/[(I^+^)+(I^-^)]
(Parsons et al., 2013)
;
_refine_ls_abs_structure_Flack -0.009(4)
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.046
_refine_ls_hydrogen_treatment mixed
_refine_ls_matrix_type full
_refine_ls_number_parameters 431
_refine_ls_number_reflns 10769
_refine_ls_number_restraints 13
_refine_ls_restrained_S_all 1.046
_refine_ls_R_factor_all 0.0524
_refine_ls_R_factor_gt 0.0434
_refine_ls_shift/su_max 0.001
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0581P)^2^+0.9636P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.1036
_refine_ls_wR_factor_ref 0.1088
_reflns_number_gt 9436
_reflns_number_total 10769
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file ex2048sup1.cif
_cod_data_source_block I
_cod_database_code 2243940
_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_min 0.759
_shelx_estimated_absorpt_t_max 0.851
_shelx_hkl_file
;
-1 0 1 450.45 13.40
-1 0 1 425.06 13.50
1 0 -1 375.56 13.50
2 0 -2 5325.07 159.18
2 0 -2 4739.93 158.28
2 0 -2 4788.22 158.18
-2 0 2 5762.02 159.28
2 0 -2 4572.84 158.88
-2 0 2 4723.13 159.08
3 0 -3 871.81 29.50
-3 0 3 917.51 29.80
3 0 -3 879.51 29.70
3 0 -3 872.11 29.90
-3 0 3 1051.09 30.10
3 0 -3 906.71 29.40
3 0 -3 892.41 29.40
-3 0 3 984.40 29.90
4 0 -4 108.89 4.10
4 0 -4 122.39 4.80
-4 0 4 121.69 4.90
-4 0 4 119.19 4.90
-4 0 4 119.59 5.00
-4 0 4 117.69 4.90
4 0 -4 114.79 4.60
4 0 -4 115.09 5.00
4 0 -4 116.29 4.20
-5 0 5 203.48 7.90
5 0 -5 207.48 7.80
-5 0 5 198.38 8.00
5 0 -5 202.88 7.80
5 0 -5 198.98 8.00
6 0 -6 48.60 3.20
6 0 -6 58.09 3.70
-6 0 6 56.89 3.20
-6 0 6 52.69 3.40
6 0 -6 54.19 3.60
-6 0 6 53.39 3.60
-7 0 7 320.17 11.80
-7 0 7 317.67 12.10
7 0 -7 302.77 11.70
-7 0 7 311.07 11.50
7 0 -7 311.37 12.10
7 0 -7 314.67 11.50
-8 0 8 293.87 11.30
-8 0 8 282.17 11.10
8 0 -8 286.37 10.90
8 0 -8 293.27 11.20
8 0 -8 309.57 12.00
-8 0 8 291.87 11.80
9 0 -9 54.99 3.70
-9 0 9 56.29 3.90
9 0 -9 59.19 3.90
-9 0 9 57.99 4.50
9 0 -9 59.89 5.00
-9 0 9 63.09 4.20
10 0 -10 2.40 2.30
10 0 -10 1.40 1.40
-10 0 10 -1.20 1.20
10 0 -10 0.60 1.00
-10 0 10 0.40 1.70
11 0 -11 96.49 6.80
-11 0 11 85.79 5.30
-11 0 11 89.29 6.10
-12 0 12 214.48 9.80
12 0 -12 231.28 11.50
-12 0 12 229.08 10.90
-13 0 13 58.59 5.70
13 0 -13 60.99 6.50
-13 0 13 56.49 4.60
14 0 -14 57.19 6.60
-14 0 14 60.39 6.10
-14 0 14 57.59 5.60
-15 0 15 72.79 6.70
15 0 -15 60.49 7.10
16 0 -16 121.89 9.40
17 0 -17 1.40 3.20
0 1 0 0.60 0.60
0 1 0 0.10 0.60
0 1 0 -0.30 0.40
0 1 0 0.20 0.50
0 1 0 0.20 0.70
0 1 0 -0.20 0.60
0 1 0 0.00 0.50
0 -1 0 -0.30 0.70
0 -1 0 -0.10 0.50
0 -1 0 0.10 0.60
0 -1 0 0.60 0.50
0 -1 0 -0.10 0.50
0 -1 0 0.00 0.50
0 -1 0 0.30 0.70
-1 1 1 6926.61 219.38
1 1 -1 6800.52 216.88
-1 1 1 6876.11 219.38
-1 1 1 6753.62 220.18
-1 1 1 6403.96 217.98
1 1 -1 6452.85 216.48
1 1 -1 7144.79 216.88
-1 1 1 7025.90 220.18
1 1 -1 6655.43 216.88
-1 1 1 6811.82 220.08
1 1 -1 6661.23 217.18
-1 -1 1 6846.21 223.58
1 -1 -1 6886.01 224.98
1 -1 -1 6699.03 223.88
1 -1 -1 6934.11 225.68
-1 -1 1 7226.98 223.88
-1 -1 1 7060.59 223.88
1 -1 -1 7102.79 225.48
1 -1 -1 7119.39 226.88
-1 -1 1 7120.09 224.08
-1 -1 1 6708.73 223.08
1 -1 -1 6814.42 225.78
-1 -1 1 7211.28 222.98
-2 1 2 397.46 14.70
2 1 -2 410.06 13.80
-2 1 2 423.76 14.90
-2 1 2 409.86 14.10
2 1 -2 422.46 13.50
2 1 -2 390.06 13.70
-2 1 2 417.76 14.40
2 1 -2 420.66 13.40
2 1 -2 397.76 13.50
2 1 -2 407.56 13.40
-2 1 2 452.65 14.70
-2 1 2 384.16 14.30
2 1 -2 405.16 14.90
2 -1 -2 394.56 14.30
-2 -1 2 410.06 13.50
2 -1 -2 392.26 14.40
-2 -1 2 381.76 13.30
-2 -1 2 414.36 13.40
2 -1 -2 422.16 14.20
-2 -1 2 425.96 13.60
-2 -1 2 370.86 13.30
2 -1 -2 390.86 14.60
-2 -1 2 419.06 14.90
2 -1 -2 410.66 13.90
-3 1 3 5.70 1.70
-3 1 3 10.90 1.60
-3 1 3 6.90 1.50
-3 1 3 6.80 1.40
3 1 -3 8.40 1.20
3 1 -3 8.50 1.00
-3 1 3 8.70 1.40
-3 -1 3 23.00 1.70
3 -1 -3 30.50 2.70
-3 -1 3 24.00 2.90
3 -1 -3 18.30 2.30
-3 -1 3 23.80 1.60
-3 -1 3 24.80 1.80
3 -1 -3 31.80 2.20
3 -1 -3 20.80 2.30
3 -1 -3 22.60 2.30
4 1 -4 31.00 2.00
-4 1 4 33.30 3.40
-4 1 4 38.60 2.70
-4 1 4 30.20 2.90
-4 1 4 30.60 2.70
4 1 -4 28.70 2.10
4 -1 -4 75.19 4.40
-4 -1 4 57.79 3.00
4 -1 -4 71.99 3.60
-4 -1 4 53.59 2.90
4 -1 -4 65.79 4.20
4 -1 -4 57.49 3.90
4 -1 -4 57.19 3.70
-4 -1 4 55.99 2.80
-4 -1 4 65.49 5.10
5 1 -5 184.78 6.80
-5 1 5 170.78 7.60
-5 1 5 196.48 8.30
-5 1 5 199.28 8.60
5 1 -5 180.78 6.90
5 -1 -5 209.48 8.50
5 -1 -5 199.18 8.10
5 -1 -5 210.88 9.20
-5 -1 5 202.38 7.80
-5 -1 5 210.08 7.80
-5 -1 5 208.38 10.60
5 -1 -5 239.48 9.40
6 1 -6 387.76 13.10
-6 1 6 358.46 14.80
6 1 -6 412.76 13.30
-6 1 6 362.16 14.10
-6 1 6 389.96 14.70
6 -1 -6 393.86 14.50
-6 -1 6 424.26 14.10
-6 -1 6 429.76 17.80
6 -1 -6 425.76 15.70
6 -1 -6 397.36 14.30
6 -1 -6 377.86 15.00
6 -1 -6 398.56 15.60
-6 -1 6 405.36 14.20
7 1 -7 160.48 6.70
7 1 -7 171.88 7.20
7 1 -7 167.18 6.30
7 1 -7 167.38 6.20
-7 1 7 164.98 7.50
-7 1 7 174.18 8.30
-7 1 7 165.08 8.10
7 -1 -7 157.08 8.00
-7 -1 7 167.98 6.60
7 -1 -7 160.78 7.60
7 -1 -7 161.18 8.40
-7 -1 7 159.58 6.40
-7 -1 7 176.58 10.50
7 -1 -7 158.38 6.60
-7 -1 7 169.18 7.00
7 -1 -7 162.38 6.80
-8 1 8 339.77 14.20
-8 1 8 360.16 14.40
-8 1 8 356.56 14.00
-8 1 8 339.67 13.50
8 1 -8 353.16 12.90
-8 -1 8 349.96 17.00
8 -1 -8 342.37 11.90
8 -1 -8 350.16 13.90
-8 -1 8 340.87 12.30
8 -1 -8 328.17 13.30
8 -1 -8 339.37 14.40
8 -1 -8 341.47 12.00
-8 -1 8 341.57 12.90
9 1 -9 93.99 5.40
-9 1 9 98.49 6.40
-9 1 9 102.29 6.10
-9 1 9 91.79 5.60
9 -1 -9 107.29 7.40
-9 -1 9 99.29 5.60
-9 -1 9 101.69 9.20
9 -1 -9 96.09 6.00
9 -1 -9 101.79 6.30
-10 1 10 95.69 6.70
10 1 -10 97.89 5.80
-10 1 10 96.49 5.90
10 -1 -10 92.29 6.10
10 -1 -10 89.79 5.90
-10 -1 10 89.79 4.80
-10 -1 10 88.99 5.50
10 -1 -10 91.69 7.50
-10 -1 10 102.09 9.80
11 1 -11 200.88 9.40
-11 1 11 185.78 10.20
-11 1 11 193.08 9.30
11 -1 -11 194.18 9.20
11 -1 -11 223.08 11.60
-11 -1 11 199.58 8.70
-11 -1 11 197.58 14.10
-11 -1 11 207.38 9.50
-12 1 12 1.00 2.30
12 1 -12 4.00 2.40
-12 1 12 2.30 1.90
-12 -1 12 2.60 1.50
12 -1 -12 5.10 3.30
12 -1 -12 3.80 2.00
-12 -1 12 3.50 4.60
12 -1 -12 3.30 2.00
-12 -1 12 3.90 2.20
13 1 -13 88.29 6.80
-13 1 13 93.99 6.50
-13 1 13 122.39 8.30
13 -1 -13 109.49 8.80
-13 -1 13 104.19 6.00
-13 -1 13 110.39 6.80
13 -1 -13 107.49 5.10
-14 1 14 6.50 2.70
-14 1 14 7.00 3.50
14 1 -14 9.20 3.20
14 -1 -14 7.80 3.80
-14 -1 14 5.10 2.50
15 1 -15 41.70 5.50
-15 1 15 45.20 5.90
15 -1 -15 35.50 6.10
16 -1 -16 8.30 4.10
17 1 -17 79.89 7.60
17 -1 -17 72.59 8.70
0 2 0 47.80 3.10
0 2 0 47.90 3.10
0 2 0 52.99 3.90
0 2 0 49.30 3.60
0 2 0 54.89 3.50
0 2 0 45.20 3.60
0 -2 0 13.80 2.40
0 -2 0 10.70 1.80
0 -2 0 8.90 1.70
0 -2 0 12.50 1.80
0 -2 0 18.00 2.60
0 -2 0 13.10 1.80
0 -2 0 12.70 2.10
1 2 -1 546.35 19.40
-1 2 1 555.14 19.50
1 2 -1 521.05 19.00
-1 2 1 585.34 20.00
-1 2 1 570.84 19.20
1 2 -1 563.84 19.40
-1 2 1 560.54 19.40
1 2 -1 509.25 18.80
1 2 -1 528.45 18.70
-1 2 1 546.55 19.10
-1 -2 1 520.45 19.50
1 -2 -1 564.64 20.10
-1 -2 1 570.64 19.80
-1 -2 1 570.74 19.80
-1 -2 1 554.34 19.90
-1 -2 1 563.74 19.90
1 -2 -1 575.44 19.80
1 -2 -1 577.14 20.50
1 -2 -1 585.24 20.50
1 -2 -1 592.44 19.90
1 -2 -1 594.84 20.10
1 -2 -1 577.54 20.60
-1 -2 1 559.44 19.50
-2 2 2 403.26 14.80
-2 2 2 381.46 14.30
-2 2 2 409.86 14.80
-2 2 2 399.76 15.20
2 2 -2 389.36 14.30
-2 2 2 384.96 14.60
2 2 -2 374.16 14.00
-2 2 2 402.46 15.10
2 2 -2 394.86 14.00
2 2 -2 392.86 13.70
2 2 -2 384.86 13.60
2 2 -2 387.96 14.20
-2 -2 2 294.87 11.60
-2 -2 2 324.07 11.60
-2 -2 2 296.37 11.20
-2 -2 2 305.57 11.40
2 -2 -2 318.87 12.50
2 -2 -2 321.77 12.30
2 -2 -2 292.57 11.70
2 -2 -2 304.87 12.00
2 -2 -2 310.17 12.50
-2 -2 2 319.47 11.30
2 -2 -2 320.47 12.20
-2 -2 2 310.97 11.10
3 2 -3 458.45 16.50
3 2 -3 488.25 15.80
3 2 -3 450.45 15.70
3 2 -3 462.45 16.20
-3 2 3 439.26 16.80
-3 2 3 490.45 17.70
-3 2 3 467.25 17.30
3 2 -3 474.85 16.30
-3 2 3 457.45 17.80
3 2 -3 477.75 18.10
3 2 -3 463.95 16.40
-3 -2 3 554.34 19.20
3 -2 -3 578.54 20.20
3 -2 -3 540.65 20.50
3 -2 -3 564.34 20.60
-3 -2 3 517.45 19.00
3 -2 -3 562.34 20.60
-3 -2 3 558.64 18.90
3 -2 -3 572.04 19.70
-3 -2 3 553.24 19.10
-4 2 4 728.33 25.50
4 2 -4 729.73 24.50
4 2 -4 721.93 26.80
4 2 -4 737.53 23.80
4 2 -4 726.53 23.80
-4 2 4 779.92 26.80
4 2 -4 722.13 24.50
-4 2 4 729.13 26.00
4 2 -4 725.43 24.80
-4 2 4 748.53 26.10
-4 -2 4 717.23 24.40
4 -2 -4 691.13 26.70
4 -2 -4 754.92 26.00
4 -2 -4 708.23 26.30
4 -2 -4 749.73 26.50
4 -2 -4 754.62 25.50
-4 -2 4 745.83 24.70
5 2 -5 603.54 20.40
-5 2 5 600.74 22.70
5 2 -5 609.14 20.40
5 2 -5 573.44 20.50
-5 2 5 634.94 22.40
-5 -2 5 604.14 21.30
5 -2 -5 664.93 22.50
5 -2 -5 648.04 23.60
5 -2 -5 623.04 23.40
-5 -2 5 615.04 21.40
-5 -2 5 631.84 21.40
-5 -2 5 637.14 24.60
5 -2 -5 650.63 23.20
-5 -2 5 619.34 21.30
5 -2 -5 628.84 22.80
6 2 -6 311.27 11.00
6 2 -6 318.27 11.30
6 2 -6 313.27 11.30
6 2 -6 304.27 11.50
-6 2 6 305.47 13.20
-6 2 6 314.67 13.90
-6 2 6 316.17 12.70
6 -2 -6 331.97 13.50
6 -2 -6 350.36 14.60
6 -2 -6 342.97 14.40
6 -2 -6 314.47 13.70
6 -2 -6 350.76 13.10
-6 -2 6 330.47 12.00
-6 -2 6 321.87 12.00
-6 -2 6 337.87 12.20
-6 -2 6 329.97 15.50
-7 2 7 436.06 17.70
7 2 -7 418.36 15.00
-7 2 7 452.95 16.80
7 2 -7 425.86 14.50
7 2 -7 436.66 14.60
-7 2 7 416.56 17.20
7 2 -7 410.66 15.30
7 -2 -7 456.65 18.60
-7 -2 7 439.06 16.10
-7 -2 7 459.25 20.30
7 -2 -7 440.76 18.00
-7 -2 7 452.25 16.20
7 -2 -7 547.65 19.60
7 -2 -7 456.55 17.50
7 -2 -7 480.65 17.20
-7 -2 7 470.35 16.40
-8 2 8 38.60 4.20
-8 2 8 43.40 5.00
-8 2 8 49.00 5.10
8 2 -8 43.20 3.20
8 2 -8 37.80 3.80
8 -2 -8 42.30 4.00
8 -2 -8 43.20 3.70
-8 -2 8 46.30 3.50
8 -2 -8 51.59 5.50
8 -2 -8 49.30 5.80
-8 -2 8 44.80 3.10
8 -2 -8 47.20 5.00
-8 -2 8 51.09 6.60
-9 2 9 10.50 3.30
9 2 -9 7.50 2.40
-9 2 9 8.80 2.90
9 2 -9 9.80 2.00
-9 2 9 10.60 2.60
-9 -2 9 13.40 4.60
9 -2 -9 9.30 3.00
9 -2 -9 11.20 3.10
9 -2 -9 10.50 2.20
9 -2 -9 16.00 4.20
-9 -2 9 10.70 2.20
10 2 -10 52.59 4.30
-10 2 10 49.30 5.00
10 2 -10 78.69 5.80
-10 2 10 57.19 6.20
10 -2 -10 55.19 5.60
-10 -2 10 50.99 4.30
-10 -2 10 50.99 3.60
10 -2 -10 56.59 6.70
-10 -2 10 43.80 7.40
10 -2 -10 58.69 6.10
-11 2 11 64.29 5.60
11 2 -11 66.89 5.00
-11 2 11 67.89 6.70
11 -2 -11 77.39 8.30
-11 -2 11 85.39 10.30
11 -2 -11 65.19 6.20
-11 -2 11 77.79 5.30
-11 -2 11 68.69 4.40
-12 2 12 82.09 7.40
-12 2 12 65.09 5.80
12 2 -12 66.49 5.40
12 -2 -12 78.89 6.60
-12 -2 12 76.29 4.70
12 -2 -12 79.49 8.70
-12 -2 12 73.59 5.30
-13 2 13 32.50 5.50
-13 2 13 25.40 4.00
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14 -2 -14 40.10 6.70
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1 3 -1 1542.65 52.19
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1 3 -1 1579.54 52.79
1 3 -1 1596.24 53.39
1 3 -1 1623.14 53.39
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4 4 -7 77.19 7.40
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5 -5 -2 504.95 22.70
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5 0 -11 12.20 2.90
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7 0 -13 176.58 10.80
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8 0 -14 15.70 4.50
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9 0 -15 32.10 5.40
9 0 -15 33.30 5.30
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11 0 -17 14.40 4.60
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12 0 -18 -0.80 3.40
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14 0 -20 -2.20 3.50
18 -1 -12 104.69 9.20
18 -1 -12 108.69 9.80
17 -1 -11 56.99 7.10
17 -1 -11 70.59 7.90
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16 -1 -10 -1.40 3.40
16 -1 -10 0.80 3.10
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15 -1 -9 114.49 8.90
15 -1 -9 95.19 8.40
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14 -1 -8 11.90 3.90
14 -1 -8 16.30 4.30
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13 -1 -7 226.58 11.60
13 -1 -7 208.68 11.70
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12 -1 -6 118.79 11.60
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11 -1 -5 230.48 14.20
11 -1 -5 251.77 11.70
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11 -1 -5 239.08 9.70
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11 -1 -5 233.48 12.10
11 -1 -5 215.98 9.40
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10 -1 -4 208.88 9.20
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10 -1 -4 205.18 11.10
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10 -1 -4 204.48 12.70
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-9 -1 3 31.90 2.60
9 -1 -3 33.90 3.80
9 -1 -3 32.40 4.60
-9 -1 3 32.90 2.70
9 -1 -3 34.20 3.60
-9 -1 3 29.20 7.20
9 -1 -3 31.90 4.00
9 -1 -3 30.60 5.60
8 1 -2 189.28 9.90
8 1 -2 179.38 7.20
-8 1 2 174.98 9.10
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8 1 -2 187.08 7.30
-8 1 2 187.08 8.70
8 1 -2 197.08 7.90
-8 -1 2 182.68 7.70
8 -1 -2 198.58 11.40
8 -1 -2 222.48 10.60
8 -1 -2 196.48 7.90
8 -1 -2 187.18 9.00
-8 -1 2 191.48 7.90
-8 -1 2 189.08 13.60
-8 -1 2 179.08 8.00
8 -1 -2 199.28 8.00
8 -1 -2 198.18 8.80
8 -1 -2 190.68 9.40
7 1 -1 305.57 10.90
7 1 -1 287.37 10.90
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7 -1 -1 290.97 12.00
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7 -1 -1 287.97 11.40
7 -1 -1 281.57 11.20
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7 -1 -1 271.97 12.20
7 -1 -1 260.27 11.90
7 -1 -1 297.77 13.40
-7 -1 1 276.07 11.20
-7 -1 1 297.67 10.90
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6 1 0 8.90 2.10
-6 1 0 9.30 2.70
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6 -1 0 9.10 3.00
6 -1 0 5.40 3.00
6 -1 0 10.00 2.70
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-5 1 -1 340.87 13.90
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5 -1 1 309.57 13.70
5 -1 1 312.77 13.20
-5 -1 -1 339.37 13.20
5 -1 1 297.57 13.40
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5 -1 1 319.17 14.80
-5 -1 -1 365.26 13.20
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4 1 2 102.69 5.50
4 1 2 111.29 9.40
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3 1 3 620.24 23.10
3 1 3 642.54 23.10
-3 1 -3 613.14 23.20
-3 1 -3 627.94 22.70
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3 -1 3 656.43 24.70
3 -1 3 684.03 24.40
-3 -1 -3 712.03 24.30
3 -1 3 676.03 24.20
3 -1 3 704.33 26.40
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2 1 4 415.96 16.50
-2 1 -4 424.16 15.90
-2 1 -4 423.16 16.40
2 1 4 415.06 15.70
2 1 4 388.76 16.10
-2 1 -4 402.16 17.40
2 1 4 427.76 18.80
-2 1 -4 410.86 16.70
-2 1 -4 437.96 16.60
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2 -1 4 446.66 18.10
2 -1 4 469.65 17.70
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-2 -1 -4 480.25 17.90
-2 -1 -4 454.65 18.00
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2 -1 4 473.15 18.20
-2 -1 -4 479.95 18.00
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-1 1 -5 670.03 25.20
1 1 5 673.23 25.10
1 1 5 698.73 24.50
-1 1 -5 689.43 25.30
-1 1 -5 719.13 24.70
1 1 5 672.43 25.40
-1 1 -5 653.63 25.00
1 1 5 687.23 25.40
1 1 5 701.33 25.60
-1 1 -5 726.13 25.70
1 1 5 716.93 27.30
-1 1 -5 670.33 25.30
-1 -1 -5 776.02 27.20
-1 -1 -5 728.53 26.30
-1 -1 -5 787.12 27.10
1 -1 5 724.53 27.10
1 -1 5 752.82 27.40
1 -1 5 721.03 27.10
1 -1 5 746.43 26.70
1 -1 5 728.03 27.10
-1 -1 -5 763.42 27.30
0 1 6 550.94 21.60
0 1 -6 564.54 20.60
0 1 6 562.24 21.80
0 1 6 543.15 21.50
0 1 -6 553.14 21.20
0 1 -6 572.54 21.40
0 1 -6 555.24 21.50
0 1 6 562.44 20.60
0 1 -6 572.74 21.60
0 1 -6 567.04 20.60
0 -1 6 550.14 22.10
0 -1 -6 623.34 23.90
0 -1 -6 604.94 22.20
0 -1 6 570.24 23.50
0 -1 6 574.34 22.00
0 -1 -6 570.84 22.20
0 -1 -6 592.54 21.30
0 -1 6 595.34 22.30
0 -1 -6 574.44 22.20
0 -1 6 572.64 21.60
0 -1 -6 584.14 23.10
-1 1 7 3255.97 106.99
1 1 -7 3239.08 107.89
1 1 -7 3395.36 107.89
-1 1 7 3341.37 108.39
-1 1 7 3346.97 108.09
1 1 -7 3294.27 106.79
-1 1 7 3428.56 108.29
1 1 -7 3188.28 107.79
1 1 -7 3212.48 107.49
-1 -1 7 3667.23 114.39
1 -1 -7 3607.74 115.19
1 -1 -7 3515.05 115.09
-1 -1 7 3407.56 116.29
1 -1 -7 3433.66 114.09
-1 -1 7 3580.44 115.19
1 -1 -7 3678.73 115.19
1 -1 -7 3611.44 115.69
-1 -1 7 3295.57 114.59
1 -1 -7 3395.86 114.89
-1 -1 7 3605.04 115.19
2 1 -8 416.26 16.60
-2 1 8 405.26 17.00
2 1 -8 406.16 16.90
2 1 -8 384.86 16.60
2 1 -8 404.36 15.70
2 1 -8 416.76 17.10
-2 1 8 388.76 16.90
-2 1 8 408.16 16.20
-2 1 8 406.56 17.30
-2 -1 8 368.56 15.70
2 -1 -8 370.76 16.20
2 -1 -8 406.46 16.60
2 -1 -8 379.46 16.70
-2 -1 8 366.46 15.40
2 -1 -8 403.16 16.40
2 -1 -8 383.46 15.40
-2 -1 8 413.26 16.70
-2 -1 8 380.96 16.40
3 1 -9 973.70 34.30
3 1 -9 987.90 35.40
-3 1 9 969.70 36.20
3 1 -9 1029.20 35.90
-3 1 9 970.50 35.90
3 1 -9 1019.80 35.20
-3 1 9 992.30 35.90
3 -1 -9 821.72 31.50
-3 -1 9 822.42 30.10
3 -1 -9 855.21 31.10
3 -1 -9 809.52 30.70
-3 -1 9 858.11 31.10
3 -1 -9 838.12 31.20
3 -1 -9 840.12 29.90
-3 -1 9 880.71 31.30
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-4 1 10 155.48 8.70
4 1 -10 173.18 9.50
4 1 -10 170.58 9.40
-4 1 10 178.98 10.30
4 1 -10 162.08 8.20
4 1 -10 170.68 9.00
4 1 -10 157.38 9.50
4 -1 -10 153.28 8.90
4 -1 -10 133.79 9.20
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4 -1 -10 153.68 8.10
-4 -1 10 148.79 9.10
-4 -1 10 155.98 9.30
4 -1 -10 139.49 8.80
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5 1 -11 350.66 14.70
-5 1 11 367.46 16.80
5 1 -11 379.26 15.60
5 1 -11 388.76 16.70
5 1 -11 374.56 16.20
5 1 -11 349.17 16.20
-5 -1 11 360.76 16.30
-5 -1 11 375.36 16.20
5 -1 -11 350.76 15.60
-5 -1 11 351.46 15.10
5 -1 -11 342.87 16.50
5 -1 -11 340.87 16.10
5 -1 -11 336.47 14.60
6 1 -12 113.79 8.00
6 1 -12 125.99 8.60
6 1 -12 112.99 8.30
6 1 -12 124.89 8.60
6 1 -12 130.99 7.50
-6 1 12 116.49 8.90
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6 -1 -12 135.89 9.80
6 -1 -12 145.19 8.30
6 -1 -12 143.49 9.40
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6 -1 -12 144.19 9.70
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6 -1 -12 152.88 9.00
7 1 -13 130.89 7.60
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-7 -1 13 127.09 9.30
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7 -1 -13 127.89 8.30
7 -1 -13 122.69 9.20
7 -1 -13 135.29 10.20
-7 -1 13 135.19 6.20
7 -1 -13 129.19 9.50
8 1 -14 306.47 15.40
8 1 -14 367.56 16.70
-8 1 14 323.27 16.90
-8 1 14 324.17 15.20
-8 -1 14 372.06 17.50
-8 -1 14 330.37 15.80
8 -1 -14 356.16 15.60
8 -1 -14 366.66 17.00
-8 -1 14 348.07 13.80
8 -1 -14 364.06 17.80
9 1 -15 96.89 8.30
-9 1 15 104.19 9.20
9 1 -15 98.49 8.60
-9 1 15 92.69 7.50
9 -1 -15 90.79 8.80
-9 -1 15 107.89 9.10
9 -1 -15 92.29 8.50
-9 -1 15 88.49 7.40
10 1 -16 63.49 7.10
10 1 -16 61.79 7.50
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-10 1 16 54.79 6.20
-10 -1 16 47.30 5.80
10 -1 -16 49.70 7.70
10 -1 -16 43.70 6.60
-10 -1 16 45.90 6.60
11 1 -17 23.90 4.90
-11 1 17 23.20 4.60
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-11 -1 17 19.20 5.00
11 -1 -17 22.30 5.40
11 -1 -17 18.60 5.30
-11 -1 17 23.30 4.50
12 1 -18 89.59 7.90
-12 1 18 94.99 9.30
12 1 -18 82.99 9.80
12 -1 -18 81.99 9.70
12 -1 -18 85.19 8.70
13 1 -19 19.00 5.30
13 1 -19 21.50 4.30
13 -1 -19 18.10 4.80
13 -1 -19 16.80 5.50
14 1 -20 27.30 6.20
14 -1 -20 19.90 4.70
18 -2 -12 31.80 6.70
18 -2 -12 51.09 8.20
17 -2 -11 42.90 7.20
17 -2 -11 42.20 7.50
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16 -2 -10 80.69 9.40
16 -2 -10 72.29 8.80
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-15 2 9 4.80 2.60
15 -2 -9 3.20 3.70
15 -2 -9 6.00 4.00
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-14 2 8 80.59 6.40
14 -2 -8 66.99 4.20
14 -2 -8 66.89 7.60
14 -2 -8 71.39 8.00
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-13 2 7 36.00 4.70
13 -2 -7 22.10 5.10
13 -2 -7 25.80 4.90
13 -2 -7 31.20 3.70
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12 -2 -6 298.97 14.70
12 -2 -6 289.87 12.00
12 -2 -6 272.97 16.80
12 -2 -6 274.57 14.10
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11 -2 -5 45.10 7.60
11 -2 -5 48.40 5.20
11 -2 -5 51.39 4.90
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11 -2 -5 43.80 5.80
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10 -2 -4 326.97 14.80
10 -2 -4 309.77 13.60
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9 -2 -3 243.08 12.90
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9 -2 -3 251.07 11.70
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9 -2 -3 254.17 12.40
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1 2 5 9.20 3.00
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1 -1 6 98.59 7.10
1 -1 6 100.89 6.70
1 -1 6 102.39 6.40
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0 1 -7 922.41 31.50
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0 1 7 862.51 31.90
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0 1 7 824.12 31.50
0 1 -7 870.11 31.60
0 1 7 828.52 31.60
0 -1 7 860.71 31.80
0 -1 7 881.31 32.70
0 -1 -7 908.81 31.60
0 -1 7 922.31 32.90
0 -1 7 911.61 34.40
0 -1 -7 859.91 32.40
0 -1 -7 897.81 32.50
0 -1 7 936.41 32.60
0 -1 -7 871.51 32.40
-1 1 8 136.69 8.80
1 1 -8 136.49 8.10
-1 1 8 131.69 8.70
-1 1 8 138.49 8.50
1 1 -8 135.79 8.30
1 1 -8 124.59 8.10
1 1 -8 142.39 7.50
1 1 -8 137.69 8.70
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-1 -1 8 136.79 8.10
1 -1 -8 139.79 8.50
-1 -1 8 133.59 8.70
-1 -1 8 138.69 9.60
1 -1 -8 139.69 8.40
-1 -1 8 127.99 7.70
1 -1 -8 134.69 7.50
1 -1 -8 137.29 8.60
-1 -1 8 132.09 8.50
-2 1 9 647.34 26.20
-2 1 9 640.54 25.20
-2 1 9 693.43 26.90
2 1 -9 685.93 26.40
2 1 -9 682.33 25.80
2 1 -9 696.03 26.40
2 1 -9 692.43 25.00
-2 1 9 680.13 26.50
2 1 -9 715.83 26.20
2 -1 -9 685.83 26.40
-2 -1 9 725.73 26.80
-2 -1 9 705.83 26.60
2 -1 -9 659.83 26.10
2 -1 -9 657.33 26.30
-2 -1 9 660.13 25.30
-2 -1 9 700.33 26.00
2 -1 -9 677.73 25.20
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3 1 -10 216.88 10.90
3 1 -10 209.48 11.00
3 1 -10 202.38 11.10
3 1 -10 208.88 9.90
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3 1 -10 212.88 11.40
3 -1 -10 223.08 10.80
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3 -1 -10 231.88 12.40
3 -1 -10 230.38 11.90
3 -1 -10 213.98 11.50
-3 -1 10 221.18 10.90
3 -1 -10 220.68 11.90
4 1 -11 730.13 27.90
4 1 -11 737.73 28.20
4 1 -11 746.63 27.40
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4 1 -11 713.33 26.40
-4 1 11 708.83 27.20
-4 -1 11 606.54 25.10
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-4 -1 11 625.84 24.30
4 -1 -11 628.14 23.90
4 -1 -11 619.04 25.30
4 -1 -11 609.04 24.80
4 -1 -11 645.14 25.80
5 1 -12 62.19 7.00
5 1 -12 52.29 5.60
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5 1 -12 75.59 9.60
5 1 -12 53.99 4.80
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5 -1 -12 68.89 7.90
5 -1 -12 65.59 5.70
-5 -1 12 78.79 7.90
5 -1 -12 73.49 7.20
-5 -1 12 74.79 6.30
5 -1 -12 66.39 6.40
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6 1 -13 152.28 10.10
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6 1 -13 161.88 10.30
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6 -1 -13 162.08 10.70
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6 -1 -13 170.38 11.10
6 -1 -13 172.08 10.10
6 -1 -13 167.68 11.40
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7 -1 -14 271.07 13.10
7 -1 -14 238.98 13.70
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7 -1 -14 265.47 14.50
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8 1 -15 51.59 6.80
8 -1 -15 67.69 7.90
8 -1 -15 67.29 7.60
-8 -1 15 52.89 7.40
8 -1 -15 69.89 8.60
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9 1 -16 364.76 18.20
-9 -1 16 441.56 20.90
9 -1 -16 450.85 21.30
-9 -1 16 400.06 18.80
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10 1 -17 63.59 7.80
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10 -1 -17 57.29 7.80
10 -1 -17 66.19 8.20
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11 -1 -18 64.79 8.80
11 -1 -18 83.09 8.90
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12 1 -19 20.70 5.80
12 1 -19 17.50 4.70
12 -1 -19 13.40 4.90
13 1 -20 46.70 8.00
13 1 -20 44.30 6.20
13 -1 -20 42.20 6.80
14 1 -21 15.70 4.70
14 -1 -21 11.70 4.60
18 -2 -11 90.19 9.80
18 -2 -11 88.09 10.00
17 -2 -10 56.79 7.70
17 -2 -10 67.89 8.90
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16 -2 -9 15.60 5.30
16 -2 -9 29.80 5.70
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15 -2 -8 33.30 6.00
15 -2 -8 37.40 6.10
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14 -2 -7 27.60 5.20
14 -2 -7 33.20 3.30
14 -2 -7 37.00 6.10
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13 -2 -6 212.08 12.20
13 -2 -6 213.58 12.90
13 -2 -6 217.78 15.40
13 -2 -6 214.38 9.90
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12 -2 -5 10.30 2.90
12 -2 -5 9.20 5.50
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11 -2 -4 439.46 22.00
11 -2 -4 438.16 20.10
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11 -2 -4 457.55 19.50
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11 -2 -4 435.86 18.10
11 -2 -4 434.66 17.70
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10 -2 -3 483.05 21.20
10 -2 -3 495.95 20.40
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8 -2 -1 1046.20 36.90
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7 2 0 5.80 1.30
7 2 0 6.60 2.00
7 2 0 6.80 1.30
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6 -2 1 6.10 2.20
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1 2 -8 1418.66 50.39
1 2 -8 1441.86 49.00
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1 2 -8 1539.95 50.49
1 2 -8 1450.15 50.69
1 -2 -8 1387.76 49.20
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3 -2 -10 575.84 22.20
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5 0 -13 5.90 2.60
6 0 -14 133.29 8.80
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6 0 -14 129.59 9.70
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7 0 -15 223.48 13.60
-7 0 15 260.67 14.60
-7 0 15 204.28 12.30
7 0 -15 239.38 13.90
7 0 -15 238.28 12.40
-8 0 16 25.70 4.70
8 0 -16 31.00 6.00
8 0 -16 32.80 6.30
-8 0 16 35.30 6.50
-9 0 17 429.66 19.70
9 0 -17 423.26 20.40
9 0 -17 422.36 21.30
10 0 -18 45.70 7.70
10 0 -18 46.20 7.10
-10 0 18 37.60 5.90
-11 0 19 54.39 7.20
11 0 -19 50.49 7.40
12 0 -20 7.70 4.70
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18 1 -10 -1.50 2.60
18 -1 -10 -0.60 3.00
18 -1 -10 -3.40 3.60
17 1 -9 8.30 3.20
17 1 -9 9.40 2.60
17 -1 -9 7.10 3.70
17 -1 -9 8.50 4.30
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16 1 -8 3.40 2.10
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16 -1 -8 0.60 3.30
16 -1 -8 4.40 3.00
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15 1 -7 21.70 3.30
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15 1 -7 21.80 4.00
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15 -1 -7 18.00 4.10
15 -1 -7 13.50 4.30
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14 1 -6 16.80 3.70
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14 1 -6 20.40 3.10
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14 -1 -6 15.50 4.40
14 -1 -6 24.20 4.30
-14 -1 6 20.30 2.20
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14 -1 -6 18.00 6.40
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13 1 -5 427.56 18.30
-13 -1 5 434.86 16.00
13 -1 -5 434.16 19.60
13 -1 -5 446.76 18.80
13 -1 -5 440.26 22.20
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12 1 -4 1.20 1.70
-12 1 4 -2.10 1.70
-12 1 4 -1.20 1.90
-12 1 4 -0.10 1.90
12 1 -4 3.60 3.80
12 -1 -4 0.00 2.10
12 -1 -4 -4.10 4.00
12 -1 -4 1.20 3.30
-12 -1 4 -1.40 1.20
-12 -1 4 2.20 1.70
12 -1 -4 1.30 2.40
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-11 -1 3 544.95 20.10
-11 -1 3 568.24 19.80
11 -1 -3 554.14 20.60
11 -1 -3 559.14 23.30
11 -1 -3 563.74 20.50
11 -1 -3 551.44 22.00
11 -1 -3 506.95 24.20
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-10 1 2 328.77 13.80
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10 -1 -2 283.47 12.40
-10 -1 2 273.47 12.00
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-10 -1 2 311.57 12.00
10 -1 -2 271.77 15.50
10 -1 -2 297.27 13.50
10 -1 -2 285.27 12.80
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-9 1 1 183.38 9.70
9 1 -1 199.38 9.40
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-9 1 1 208.58 9.70
9 -1 -1 208.88 10.00
9 -1 -1 201.18 10.50
9 -1 -1 191.78 12.20
-9 -1 1 225.58 9.50
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9 -1 -1 195.28 8.80
9 -1 -1 198.18 11.90
-9 -1 1 225.48 16.20
-9 -1 1 211.28 9.60
9 -1 -1 197.88 10.10
8 1 0 392.56 13.70
8 1 0 391.46 15.60
-8 1 0 360.86 15.40
-8 1 0 362.36 16.20
8 1 0 387.76 15.10
8 1 0 397.26 13.70
8 1 0 408.66 15.10
-8 1 0 354.46 15.60
8 1 0 412.66 16.70
8 -1 0 416.96 16.40
8 -1 0 401.36 17.30
-8 -1 0 481.15 17.00
8 -1 0 435.86 19.40
8 -1 0 455.05 17.50
-8 -1 0 450.05 17.10
8 -1 0 421.66 19.40
8 -1 0 414.36 16.70
-8 -1 0 481.75 23.80
-8 -1 0 437.06 16.40
8 -1 0 401.66 17.60
7 1 1 149.88 7.60
7 1 1 153.18 7.90
7 1 1 147.09 6.70
-7 1 -1 117.39 7.60
-7 1 -1 121.79 8.20
7 1 1 151.58 7.80
-7 1 -1 126.49 7.40
7 1 1 149.59 8.40
7 1 1 147.39 6.90
7 -1 1 127.09 9.50
-7 -1 -1 166.68 8.10
7 -1 1 149.09 8.00
7 -1 1 142.29 7.50
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7 -1 1 146.19 8.20
-7 -1 -1 157.78 12.40
7 -1 1 134.19 8.20
7 -1 1 136.89 8.30
7 -1 1 158.38 10.10
-6 1 -2 798.42 29.10
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6 1 2 867.81 29.60
6 1 2 853.81 29.40
-6 1 -2 806.32 30.00
-6 1 -2 726.23 29.40
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6 -1 2 849.81 33.20
6 -1 2 880.81 31.70
-6 -1 -2 899.31 31.70
6 -1 2 870.11 33.90
-6 -1 -2 900.61 30.90
6 -1 2 851.81 31.30
6 -1 2 852.01 31.80
6 -1 2 834.52 31.80
-6 -1 -2 971.80 31.80
-6 -1 -2 979.30 37.70
5 1 3 15.40 4.80
-5 1 -3 19.10 3.10
5 1 3 13.30 2.30
5 1 3 13.60 3.20
5 1 3 21.10 3.40
5 1 3 13.20 3.20
-5 1 -3 21.30 5.30
-5 1 -3 15.10 3.30
-5 -1 -3 17.30 2.80
5 -1 3 14.40 3.00
5 -1 3 12.30 3.60
5 -1 3 20.00 4.40
5 -1 3 19.90 3.70
5 -1 3 12.90 3.10
-5 -1 -3 7.80 4.70
5 -1 3 13.50 2.60
5 -1 3 9.70 2.50
-5 -1 -3 17.60 3.20
-5 -1 -3 12.10 3.00
4 1 4 1025.30 36.40
4 1 4 980.60 35.20
4 1 4 1035.60 36.30
4 1 4 1057.79 36.40
-4 1 -4 1047.30 35.80
-4 1 -4 987.60 36.20
4 1 4 994.80 36.40
-4 1 -4 1017.10 36.40
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4 -1 4 952.00 36.90
4 -1 4 991.10 35.20
-4 -1 -4 1016.70 39.10
4 -1 4 972.90 34.30
4 -1 4 968.40 34.90
4 -1 4 948.61 34.10
4 -1 4 985.80 35.20
-4 -1 -4 949.71 34.50
4 -1 4 977.20 35.00
-4 -1 -4 972.70 33.90
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3 1 5 274.37 12.10
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3 1 5 253.57 12.70
3 1 5 289.07 13.20
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2 1 6 339.67 15.00
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2 -1 6 301.97 15.80
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1 1 7 140.19 9.00
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1 1 7 140.89 7.80
1 1 7 144.39 9.00
1 1 7 127.49 8.30
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1 1 7 145.19 10.00
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1 -1 7 133.69 8.70
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1 -1 7 135.69 9.00
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-1 -1 -7 147.29 8.80
1 -1 7 131.39 10.00
1 -1 7 134.29 7.90
0 1 -8 237.38 12.00
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0 -1 -8 227.78 11.90
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0 -1 8 246.78 11.60
0 -1 -8 249.97 12.40
0 -1 8 226.08 13.50
0 -1 8 245.58 12.50
0 -1 -8 237.18 12.10
1 1 -9 372.96 17.00
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1 1 -9 380.06 15.60
-1 1 9 398.46 17.60
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1 1 -9 369.76 16.60
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1 1 -9 376.16 16.40
1 -1 -9 355.16 16.10
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1 -1 -9 381.16 16.40
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-1 -1 9 362.46 16.60
-1 -1 9 352.86 15.90
1 -1 -9 362.86 15.20
1 -1 -9 350.66 16.30
-1 -1 9 368.96 16.50
-2 1 10 25.30 4.80
-2 1 10 16.90 3.30
2 1 -10 29.30 5.10
-2 1 10 24.10 4.30
2 1 -10 17.60 3.80
-2 1 10 16.40 4.10
2 1 -10 22.20 3.40
2 1 -10 24.60 4.10
-2 -1 10 30.70 5.00
2 -1 -10 25.70 4.80
2 -1 -10 22.80 4.30
2 -1 -10 23.40 4.20
-2 -1 10 26.70 4.90
-2 -1 10 15.90 3.30
2 -1 -10 17.80 3.20
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3 1 -11 332.37 15.00
3 1 -11 321.67 15.30
3 1 -11 321.67 15.50
3 1 -11 325.77 14.00
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3 1 -11 326.47 15.90
3 -1 -11 311.97 15.50
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3 -1 -11 296.67 14.00
3 -1 -11 319.07 15.50
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3 -1 -11 304.37 15.00
4 1 -12 6.20 3.20
4 1 -12 5.90 3.00
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4 1 -12 3.80 2.20
4 1 -12 3.80 2.60
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-4 -1 12 7.10 3.70
4 -1 -12 5.50 2.50
-4 -1 12 8.30 3.10
-4 -1 12 5.10 3.60
4 -1 -12 11.40 4.60
4 -1 -12 12.10 3.90
4 -1 -12 10.80 3.30
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5 1 -13 220.38 13.00
5 1 -13 245.38 12.40
-5 1 13 255.77 14.00
5 1 -13 257.77 13.50
5 1 -13 220.48 12.70
5 -1 -13 208.38 12.30
-5 -1 13 182.08 11.90
-5 -1 13 193.88 11.00
5 -1 -13 199.98 14.80
5 -1 -13 203.18 12.30
5 -1 -13 209.58 11.70
-5 -1 13 210.38 12.80
5 -1 -13 203.98 10.70
6 1 -14 3.50 2.50
6 1 -14 5.90 3.30
-6 1 14 9.40 4.20
-6 1 14 4.40 3.90
6 1 -14 8.10 4.20
-6 1 14 7.70 3.20
-6 -1 14 16.00 4.70
6 -1 -14 8.20 4.10
-6 -1 14 11.70 3.90
6 -1 -14 15.30 4.00
-6 -1 14 6.50 3.00
6 -1 -14 15.00 4.40
-7 1 15 61.89 8.00
7 1 -15 78.39 8.60
7 1 -15 59.89 6.00
7 1 -15 69.79 8.00
-7 1 15 58.69 6.80
-7 1 15 53.39 10.50
7 -1 -15 77.19 8.90
-7 -1 15 78.59 7.20
7 -1 -15 67.29 6.70
-7 -1 15 52.09 7.20
7 -1 -15 71.89 8.40
8 1 -16 379.56 18.80
-8 1 16 395.56 18.30
8 1 -16 387.86 19.40
8 -1 -16 390.46 20.30
8 -1 -16 447.76 21.40
-8 -1 16 437.06 21.20
-8 -1 16 429.06 19.40
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9 1 -17 156.88 11.60
9 1 -17 137.59 11.00
9 -1 -17 151.78 12.10
9 -1 -17 149.29 11.70
-9 -1 17 146.79 10.20
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10 1 -18 255.77 15.10
10 1 -18 246.48 15.40
-10 -1 18 249.58 14.00
10 -1 -18 223.28 17.60
10 -1 -18 250.87 15.20
-11 1 19 16.60 4.60
11 1 -19 20.40 5.60
11 1 -19 25.10 5.70
11 -1 -19 17.20 5.40
12 1 -20 127.79 10.40
12 -1 -20 105.79 10.50
13 1 -21 30.20 6.00
13 -1 -21 40.70 7.00
18 -2 -10 31.30 6.80
18 -2 -10 24.80 5.80
17 -2 -9 36.30 6.90
17 -2 -9 35.70 6.30
-16 2 8 12.00 3.30
16 -2 -8 15.40 4.60
16 -2 -8 13.60 4.80
-15 2 7 10.30 3.30
-15 2 7 10.60 3.10
15 -2 -7 10.70 4.10
15 -2 -7 12.70 4.50
-14 2 6 58.39 5.80
-14 2 6 58.39 5.80
14 2 -6 57.19 4.20
14 -2 -6 45.40 6.20
14 -2 -6 41.40 4.10
14 -2 -6 48.00 9.00
14 -2 -6 43.60 6.90
-13 2 5 7.10 2.70
-13 2 5 5.00 2.60
13 2 -5 9.30 2.20
-13 -2 5 5.00 1.70
13 -2 -5 11.30 3.10
13 -2 -5 13.40 4.50
13 -2 -5 9.40 3.60
-13 -2 5 8.10 1.60
13 -2 -5 9.20 5.40
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12 -2 -4 548.45 23.70
12 -2 -4 521.45 20.90
12 -2 -4 547.25 22.70
12 -2 -4 518.75 25.30
-12 -2 4 543.25 18.80
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11 2 -3 258.67 11.40
11 -2 -3 295.47 15.70
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11 -2 -3 296.17 13.10
11 -2 -3 290.37 14.50
11 -2 -3 284.07 16.90
11 -2 -3 297.37 13.60
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10 2 -2 579.34 20.30
-10 2 2 645.34 23.70
-10 -2 2 565.94 20.00
10 -2 -2 513.35 21.90
10 -2 -2 593.64 24.50
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10 -2 -2 559.84 20.60
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10 -2 -2 534.75 21.70
10 -2 -2 562.54 23.00
10 -2 -2 537.25 25.10
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9 -2 -1 317.27 17.10
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9 -2 -1 314.57 13.60
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9 -2 -1 318.77 16.50
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9 -2 -1 307.07 14.20
9 -2 -1 300.17 14.90
9 -2 -1 306.17 14.70
-8 2 0 552.54 23.20
8 2 0 603.84 21.40
8 2 0 637.94 21.40
8 2 0 585.34 19.50
-8 2 0 537.55 22.10
-8 2 0 544.25 22.40
8 2 0 595.94 21.90
-8 2 0 573.94 22.20
-8 -2 0 599.84 21.20
-8 -2 0 581.54 21.90
8 -2 0 599.64 25.10
-8 -2 0 641.24 21.80
8 -2 0 576.94 22.10
8 -2 0 549.95 23.30
8 -2 0 558.34 25.00
8 -2 0 561.24 23.00
-8 -2 0 676.43 30.40
8 -2 0 559.94 22.60
8 -2 0 575.94 22.20
7 2 1 45.30 4.70
7 2 1 49.40 4.50
7 2 1 45.10 4.60
7 2 1 46.30 3.40
-7 2 -1 42.50 5.60
7 2 1 42.60 3.50
-7 2 -1 47.70 5.20
7 2 1 43.30 8.00
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6 2 2 193.58 8.50
-6 2 -2 178.78 9.90
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6 -2 2 182.08 11.40
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6 -2 2 170.58 9.90
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5 2 3 648.94 24.00
5 2 3 637.64 22.80
5 2 3 629.34 23.50
5 2 3 624.14 23.70
5 2 3 626.64 28.40
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-5 -2 -3 589.64 22.50
5 -2 3 559.34 22.40
5 -2 3 575.94 22.40
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-5 -2 -3 566.14 22.10
5 -2 3 555.34 24.00
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4 -2 4 519.65 20.90
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3 2 5 20.80 3.90
3 2 5 21.60 5.80
3 2 5 20.20 4.00
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-3 2 -5 16.70 3.40
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3 2 5 17.90 3.50
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3 -2 5 11.40 2.70
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1 2 7 98.79 6.50
1 2 7 89.99 9.00
1 2 7 97.09 7.60
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1 2 7 93.39 7.40
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-1 -2 -7 81.19 7.10
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13 -1 -4 42.40 4.00
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1 -1 -10 84.39 7.50
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1 -1 -10 85.89 7.40
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8 -1 -17 16.30 5.70
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18 -2 -9 1.60 4.30
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14 -2 -5 1.30 3.70
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7 2 2 617.54 23.80
7 2 2 680.83 23.80
7 2 2 590.04 22.40
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1 1 10 186.78 10.40
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1 1 -12 164.18 11.70
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1 -1 -12 144.29 11.10
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1 -1 -12 135.39 10.20
1 -1 -12 145.69 9.50
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2 1 -13 591.54 23.80
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2 1 -13 616.04 26.40
2 1 -13 600.54 25.90
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2 -1 -13 581.94 25.70
2 -1 -13 586.44 25.90
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2 -1 -13 585.04 24.00
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4 -1 -15 245.48 15.30
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9 -1 -20 148.29 13.10
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10 1 -21 28.40 7.00
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11 -1 -22 4.70 5.50
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18 2 -7 82.49 6.70
18 -2 -7 96.99 10.30
18 -2 -7 89.89 10.90
17 2 -6 60.89 6.20
17 2 -6 69.69 7.90
17 -2 -6 74.09 9.90
17 -2 -6 69.39 8.80
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16 -2 -5 -0.30 4.00
16 -2 -5 -0.80 3.20
16 -2 -5 1.20 5.90
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15 -2 -4 300.47 13.10
15 -2 -4 285.97 17.40
15 -2 -4 309.67 19.70
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14 -2 -3 5.30 5.50
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14 -2 -3 1.00 3.80
14 -2 -3 -1.00 2.90
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14 -2 -3 4.70 3.60
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13 -2 -2 154.88 13.50
13 -2 -2 128.19 11.70
13 -2 -2 137.49 9.40
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1 0 -13 2.90 3.30
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1 0 -13 2.60 2.70
1 0 -13 2.90 2.50
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18 1 -6 110.49 10.10
18 -1 -6 122.09 10.00
18 -1 -6 100.59 11.20
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15 -1 -3 101.79 6.30
15 -1 -3 122.99 13.40
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14 1 -2 7.70 4.50
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14 1 -2 1.80 4.30
14 1 -2 3.80 3.00
14 -1 -2 10.00 5.50
14 -1 -2 1.70 3.20
-14 -1 2 2.50 2.40
14 -1 -2 4.10 2.90
14 -1 -2 -1.10 4.00
-14 -1 2 5.00 2.20
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13 1 -1 248.58 13.40
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13 -1 -1 200.38 14.70
13 -1 -1 198.28 12.50
13 -1 -1 198.78 11.30
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12 -1 0 24.80 6.60
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11 -1 1 463.85 23.70
11 -1 1 492.45 22.40
-11 -1 -1 543.95 20.60
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-10 -1 -2 95.99 6.90
10 -1 2 86.89 8.50
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9 1 3 628.24 25.60
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9 -1 3 609.94 27.70
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9 -1 3 613.54 24.60
-9 -1 -3 639.44 25.60
-9 -1 -3 654.53 24.70
-9 -1 -3 657.43 25.60
9 -1 3 614.14 26.50
9 -1 3 703.03 30.00
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8 1 4 291.07 15.20
8 1 4 306.17 13.50
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-9 -1 21 -4.00 3.30
9 -1 -21 -0.90 5.50
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15 -2 -3 4.40 4.10
15 -2 -3 4.10 3.50
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14 -2 -2 197.28 14.50
14 -2 -2 173.28 15.30
14 -2 -2 187.68 12.80
14 -2 -2 195.08 11.30
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13 -2 -1 54.49 6.80
13 -2 -1 56.09 9.20
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13 -2 -1 56.99 9.40
13 -2 -1 55.69 7.50
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11 -2 1 149.49 12.90
11 -2 1 135.89 10.60
-11 -2 -1 146.99 9.40
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-10 -2 -2 386.36 16.10
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9 2 3 47.70 6.30
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9 2 3 50.59 6.50
-9 2 -3 67.99 7.20
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-9 -2 -3 25.90 4.90
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-9 -2 -3 34.60 4.50
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9 -2 3 31.60 6.80
9 -2 3 25.80 4.50
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-8 2 -4 41.20 5.40
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8 2 4 51.69 6.70
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8 2 4 53.39 6.70
8 -2 4 48.30 6.80
-8 -2 -4 42.40 6.00
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8 -2 4 39.90 6.50
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8 -2 4 50.39 8.70
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-7 2 -5 348.37 17.10
7 2 5 334.87 17.20
-7 2 -5 332.87 20.80
-7 2 -5 353.56 18.20
7 2 5 359.26 22.50
7 2 5 362.76 16.60
7 2 5 365.36 15.50
7 -2 5 385.46 21.20
7 -2 5 362.76 18.40
7 -2 5 385.86 18.60
7 -2 5 357.36 17.70
7 -2 5 370.46 17.20
-7 -2 -5 379.46 23.80
-7 -2 -5 375.16 17.70
-7 -2 -5 389.66 16.60
7 -2 5 373.16 19.80
-7 -2 -5 374.86 17.60
-6 2 -6 63.09 9.70
6 2 6 47.20 6.90
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-6 2 -6 57.29 6.30
-6 2 -6 53.19 7.80
-6 2 -6 52.79 6.70
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5 -2 7 182.18 11.10
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3 2 9 72.89 10.30
3 2 9 67.59 6.40
-3 2 -9 70.99 8.80
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2 2 10 18.30 4.00
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-2 2 -10 23.50 4.50
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-2 -2 -10 21.50 4.10
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2 -2 10 15.50 5.10
-2 -2 -10 15.30 3.70
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1 2 11 -2.00 4.50
1 2 11 2.20 3.50
-1 2 -11 4.40 3.40
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-1 2 -11 -1.00 3.10
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-1 -2 -11 -0.10 2.20
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1 2 -13 41.70 6.80
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1 -2 -13 41.70 6.40
1 -2 -13 57.79 6.90
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1 -2 -13 40.10 6.90
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2 -2 -14 307.87 17.70
2 -2 -14 307.47 17.80
2 -2 -14 312.97 15.80
-2 -2 14 310.17 16.70
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6 -2 -18 84.29 11.30
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7 -2 -19 71.79 10.40
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8 -2 -20 45.80 8.90
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9 2 -21 294.37 18.80
9 -2 -21 319.27 20.10
10 2 -22 3.90 5.20
10 -2 -22 6.10 5.90
18 3 -6 75.29 7.20
18 3 -6 75.19 8.20
18 -3 -6 78.99 11.10
18 -3 -6 80.29 10.50
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17 -3 -5 55.99 9.70
17 -3 -5 52.39 5.20
17 -3 -5 50.89 10.80
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16 -3 -4 78.59 12.00
16 -3 -4 64.69 9.00
16 -3 -4 59.19 6.80
16 -3 -4 53.99 9.30
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15 -3 -3 141.99 15.50
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15 -3 -3 134.69 13.00
15 -3 -3 130.69 10.00
15 -3 -3 150.48 12.00
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14 -3 -2 58.79 7.60
14 -3 -2 50.79 9.10
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14 -3 -2 68.99 9.00
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13 -3 -1 232.48 16.30
13 -3 -1 266.97 18.30
13 -3 -1 231.28 14.90
13 -3 -1 232.58 14.10
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12 -3 0 79.89 9.60
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11 -3 1 220.48 15.70
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8 3 4 291.47 15.40
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6 -3 6 275.67 17.60
6 -3 6 343.47 17.20
6 -3 6 320.57 16.10
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5 -3 7 103.19 9.20
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4 -3 8 741.93 29.60
4 -3 8 711.43 29.90
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4 -3 8 726.63 30.20
4 -3 8 706.43 30.50
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3 3 9 405.26 19.60
-3 3 -9 373.06 19.60
3 3 9 384.46 17.70
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-3 3 -9 392.06 19.00
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3 -3 9 392.26 18.90
3 -3 9 397.26 21.80
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3 -3 9 387.46 19.90
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2 3 10 124.19 11.00
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2 3 10 123.79 9.00
2 3 10 120.59 10.40
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2 -3 10 117.79 10.10
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2 -3 10 109.59 9.20
2 -3 10 127.79 9.90
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2 -3 10 70.49 10.80
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1 3 11 158.68 10.20
1 3 11 139.99 11.50
-1 3 -11 149.49 12.40
-1 3 -11 139.29 10.50
1 3 11 143.49 11.80
1 3 11 133.99 11.20
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1 3 11 162.58 14.30
1 -3 11 169.38 12.60
1 -3 11 162.28 11.80
1 -3 11 150.18 10.70
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1 -3 11 151.68 11.00
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0 3 12 167.58 10.90
0 3 -12 168.98 10.80
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0 -3 -12 214.88 14.00
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1 3 -13 326.17 16.00
1 3 -13 323.77 18.80
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1 -3 -13 320.77 17.90
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1 -3 -13 341.27 16.70
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1 -3 -13 322.77 17.80
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2 -3 -14 197.38 12.30
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2 -3 -14 200.08 14.30
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3 -3 -15 435.16 23.10
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4 -3 -16 72.89 10.40
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7 -3 -19 36.90 8.20
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9 -3 -21 16.40 7.20
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17 -4 -5 157.78 10.60
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16 -4 -4 71.99 10.10
16 -4 -4 72.89 8.40
16 -4 -4 74.99 12.70
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15 -4 -3 94.69 11.10
15 -4 -3 84.59 12.60
15 -4 -3 96.79 10.00
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14 -4 -2 97.89 15.10
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13 -4 -1 36.90 7.80
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1 4 11 23.10 4.60
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1 -4 -13 144.19 12.40
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9 -5 3 256.57 16.60
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9 -5 3 270.27 18.30
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-3 1 -18 114.99 15.10
3 1 18 113.19 14.90
-3 -1 -18 96.19 13.70
3 -1 18 129.19 16.50
-2 1 -19 40.00 10.90
2 1 19 29.50 9.10
-2 -1 -19 42.80 10.20
2 -1 19 33.30 9.60
-1 1 -20 64.09 13.30
1 1 20 62.99 12.50
-1 -1 -20 48.80 11.20
1 -1 20 47.70 11.50
0 1 -21 90.29 14.60
0 1 21 92.59 15.80
0 -1 -21 84.29 13.80
14 2 7 22.00 7.00
14 -2 7 13.00 6.90
14 -2 7 12.10 7.60
13 2 8 35.40 8.40
13 -2 8 36.50 9.30
13 -2 8 41.60 10.90
12 2 9 22.60 7.50
12 -2 9 42.20 10.50
12 -2 9 26.30 8.30
11 2 10 15.70 6.90
11 -2 10 16.80 8.70
11 -2 10 17.00 7.50
10 2 11 -4.80 4.90
10 -2 11 -0.50 6.50
10 -2 11 2.40 6.20
9 2 12 21.00 8.00
9 2 12 35.90 8.90
9 -2 12 47.60 10.40
9 -2 12 35.70 9.90
8 2 13 114.09 14.10
8 -2 13 131.09 15.40
8 -2 13 90.49 14.50
7 2 14 51.89 10.50
7 -2 14 54.19 10.70
-6 2 -15 13.30 9.40
6 2 15 8.20 7.30
6 -2 15 24.10 9.10
-5 2 -16 126.29 16.10
5 2 16 100.49 14.20
5 -2 16 108.99 14.10
4 2 17 28.20 9.10
-4 2 -17 40.80 10.30
4 -2 17 55.29 11.30
-4 -2 -17 49.40 10.50
3 2 18 50.29 11.50
-3 2 -18 44.80 10.60
3 -2 18 50.19 10.80
-3 -2 -18 77.89 12.90
2 2 19 99.09 15.00
-2 2 -19 139.09 17.20
2 -2 19 97.09 14.10
-2 -2 -19 116.89 15.30
1 2 20 38.50 10.80
-1 2 -20 65.09 12.80
1 -2 20 46.60 10.90
-1 -2 -20 59.69 12.70
0 2 -21 68.49 13.00
0 2 21 93.59 14.70
0 -2 -21 80.09 13.90
13 3 8 5.60 6.00
13 -3 8 12.80 7.10
13 -3 8 9.20 7.70
12 3 9 88.69 11.80
12 -3 9 112.59 16.00
12 -3 9 99.99 13.20
11 3 10 42.60 9.00
11 -3 10 72.09 13.50
11 -3 10 44.70 10.20
10 3 11 42.70 9.20
10 -3 11 56.49 12.40
10 -3 11 59.29 10.80
9 3 12 21.80 8.00
9 -3 12 42.80 11.50
9 -3 12 20.00 8.10
8 3 13 46.20 10.40
8 -3 13 35.00 10.00
8 -3 13 36.20 10.40
7 3 14 100.39 13.50
7 -3 14 116.59 15.20
6 3 15 20.70 8.30
-6 3 -15 32.50 10.40
6 -3 15 29.60 9.30
5 3 16 92.79 13.60
-5 3 -16 99.99 14.60
5 -3 16 87.09 13.40
-4 3 -17 50.09 11.70
4 3 17 28.10 8.90
4 -3 17 41.50 10.40
3 3 18 115.09 15.40
-3 3 -18 141.09 17.40
3 -3 18 98.29 14.60
-3 -3 -18 153.58 17.80
-2 3 -19 17.30 8.90
2 3 19 18.90 8.40
-2 -3 -19 38.70 10.50
2 -3 19 21.20 8.70
1 3 20 82.89 13.50
-1 3 -20 96.59 15.00
-1 -3 -20 81.29 13.50
12 4 9 5.00 5.90
12 -4 9 6.70 8.50
12 -4 9 0.30 6.20
11 4 10 13.70 6.70
11 -4 10 15.70 8.90
11 -4 10 7.90 7.00
10 4 11 17.80 7.50
10 -4 11 8.50 7.30
10 -4 11 8.10 8.10
9 4 12 9.30 6.50
9 -4 12 5.60 7.00
9 -4 12 23.00 9.40
8 4 13 12.80 7.30
8 -4 13 37.20 11.00
8 -4 13 31.20 9.40
7 4 14 40.60 9.90
7 -4 14 29.00 9.40
7 -4 14 45.40 11.80
-6 4 -15 24.30 8.90
6 4 15 22.10 8.50
6 -4 15 22.80 9.10
-5 4 -16 -5.50 6.30
5 4 16 2.00 6.90
5 -4 16 12.20 7.40
4 4 17 53.39 11.10
-4 4 -17 39.50 11.20
4 -4 17 39.00 10.90
-3 4 -18 20.80 9.60
3 4 18 16.10 8.30
3 -4 18 25.30 9.20
-2 4 -19 14.30 8.90
2 4 19 24.00 8.90
2 -4 19 12.90 8.30
-2 -4 -19 19.20 8.90
10 5 11 78.49 12.00
10 -5 11 79.49 13.20
10 -5 11 85.49 15.20
9 5 12 27.30 8.10
9 -5 12 8.40 8.30
9 -5 12 13.60 8.20
8 5 13 4.00 6.80
8 -5 13 5.00 7.60
8 -5 13 13.20 8.90
7 5 14 44.60 10.40
7 -5 14 50.99 12.60
7 -5 14 38.10 10.50
6 5 15 9.80 7.20
-6 5 -15 -0.20 8.20
6 -5 15 -3.30 7.40
6 -5 15 4.40 7.30
-5 5 -16 102.49 16.00
5 5 16 78.89 12.90
5 -5 16 59.29 11.90
4 5 17 4.60 7.30
-4 5 -17 14.00 8.90
4 -5 17 4.00 7.00
13 0 9 181.48 19.30
13 0 9 135.69 15.10
12 0 10 162.88 17.50
12 0 10 123.69 14.50
11 0 11 4.80 6.40
11 0 11 8.00 7.40
10 0 12 37.30 9.20
10 0 12 61.69 12.00
9 0 13 12.30 7.80
9 0 13 19.60 8.00
8 0 14 29.70 9.40
7 0 15 60.99 11.70
6 0 16 2.20 6.70
5 0 17 77.49 12.80
-4 0 -18 15.00 8.30
4 0 18 3.30 6.20
-3 0 -19 50.09 11.50
3 0 19 43.40 10.60
2 0 20 81.69 13.90
-2 0 -20 75.69 13.10
13 1 9 128.99 14.20
13 -1 9 147.59 17.40
13 -1 9 132.89 15.00
12 1 10 4.20 6.30
12 -1 10 9.10 6.70
12 -1 10 2.40 7.10
11 1 11 33.80 8.60
11 1 11 31.10 13.30
11 -1 11 21.80 9.10
11 -1 11 26.30 8.60
10 1 12 5.50 6.90
10 1 12 -7.00 5.50
10 -1 12 -4.00 6.70
10 -1 12 12.50 7.20
9 1 13 31.00 9.00
9 1 13 24.50 8.00
9 -1 13 24.30 8.70
9 -1 13 31.50 10.00
8 1 14 18.90 8.00
8 -1 14 12.80 7.90
8 -1 14 9.40 6.90
7 1 15 31.00 9.30
7 -1 15 47.90 11.00
6 1 16 117.79 15.70
6 -1 16 144.69 17.40
-5 1 -17 35.30 10.30
5 1 17 31.70 9.50
5 -1 17 31.20 9.80
4 1 18 9.50 8.30
-4 1 -18 12.00 8.00
-4 -1 -18 4.20 7.30
4 -1 18 10.30 7.50
-3 1 -19 49.50 12.00
3 1 19 51.99 11.30
-3 -1 -19 55.89 12.40
2 1 20 96.79 14.60
-2 1 -20 80.79 13.50
2 -1 20 86.69 14.20
-2 -1 -20 90.09 14.60
12 2 10 26.70 8.40
12 -2 10 33.50 8.60
12 -2 10 36.60 10.70
11 2 11 -4.70 5.30
11 -2 11 3.20 6.20
11 -2 11 -1.20 6.90
10 2 12 26.90 8.50
10 -2 12 31.50 10.60
10 -2 12 40.70 10.20
9 2 13 0.40 6.40
9 -2 13 2.40 7.20
9 -2 13 2.50 6.90
8 2 14 60.39 11.80
8 -2 14 86.69 13.70
8 -2 14 72.69 13.40
7 2 15 28.40 8.90
7 -2 15 27.20 8.90
6 2 16 51.29 10.80
6 -2 16 37.50 9.70
5 2 17 9.90 7.50
-5 2 -17 7.70 7.60
5 -2 17 13.40 7.70
-4 2 -18 32.80 10.20
4 2 18 40.40 10.80
4 -2 18 41.60 10.60
3 2 19 80.39 13.30
-3 2 -19 73.99 13.20
-3 -2 -19 81.09 13.20
3 -2 19 59.69 11.90
-2 -2 -20 2.20 7.90
11 3 11 51.09 10.10
11 -3 11 49.40 12.30
11 -3 11 66.69 11.60
10 3 12 7.90 6.50
10 -3 12 -6.40 5.40
10 -3 12 -0.50 7.00
9 3 13 66.49 11.80
9 -3 13 72.39 13.50
9 -3 13 79.59 12.60
8 3 14 5.90 7.10
8 -3 14 4.80 6.70
8 -3 14 8.30 8.10
7 3 15 25.60 8.80
7 -3 15 33.30 10.00
6 3 16 27.00 9.40
6 -3 16 21.80 9.20
5 3 17 5.50 7.60
-5 3 -17 -1.90 7.40
5 -3 17 9.90 7.50
4 3 18 44.50 10.90
-4 3 -18 57.19 12.70
4 -3 18 46.80 10.90
-3 3 -19 4.90 7.60
9 4 13 17.20 7.60
9 -4 13 14.20 9.10
9 -4 13 10.60 7.90
8 4 14 23.50 8.50
8 -4 14 42.10 11.40
8 -4 14 57.29 12.10
7 4 15 16.50 8.10
7 -4 15 7.60 7.20
7 -4 15 20.40 9.70
6 4 16 -2.10 6.80
6 -4 16 -3.80 6.50
-5 4 -17 -3.10 6.80
10 0 13 15.60 7.80
10 0 13 16.60 8.60
9 0 14 129.79 16.60
9 0 14 118.59 15.70
8 0 15 49.60 11.20
7 0 16 33.50 10.30
6 0 17 351.96 24.90
5 0 18 9.50 8.00
10 1 13 71.29 13.90
10 1 13 87.49 13.10
10 -1 13 54.19 11.10
10 -1 13 70.89 13.50
9 1 14 29.80 9.60
9 1 14 32.10 9.50
9 -1 14 31.90 9.90
9 -1 14 25.20 9.50
8 1 15 98.59 14.20
8 -1 15 112.29 16.10
8 -1 15 92.39 14.10
7 1 16 51.99 11.10
7 -1 16 23.10 8.70
6 1 17 32.10 9.80
6 -1 17 27.20 10.20
5 1 18 68.09 12.30
5 -1 18 87.39 13.50
9 2 14 108.79 14.40
9 -2 14 109.49 16.40
9 -2 14 117.09 15.30
8 2 15 -2.70 5.90
8 -2 15 6.20 7.50
8 -2 15 -1.10 7.30
7 2 16 81.69 13.10
7 -2 16 89.49 13.90
0 0 0 0.00 0.00
_computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)'
;
_shelx_hkl_checksum 30619
_shelx_res_file
;
TITL ms2_a.res in P2(1)
ms2.res
created by SHELXL-2018/3 at 21:59:25 on 06-Sep-2021
REM Old TITL MS2 in P2(1)
REM SHELXT solution in P2(1)
REM R1 0.088, Rweak 0.025, Alpha 0.016, Orientation as input
REM Flack x = 0.008 ( 0.005 ) from Parsons' quotients
REM Formula found by SHELXT: C30 N3 O7 Cl4 Ni2
CELL 0.71073 13.3729 8.9363 16.4248 90 114.014 90
ZERR 2 0.0009 0.0007 0.0016 0 0.002 0
LATT -1
SYMM -X,0.5+Y,-Z
SFAC C H Cl N Ni O
UNIT 64 92 8 12 4 4
EQIV $1 2-X,-0.5+Y,1-Z
EQIV $2 1-X,-0.5+Y,1-Z
EQIV $3 1-X,-0.5+Y,-Z
EQIV $4 -X,0.5+Y,-Z
DELU C21 C20 C19 C18 C17 N4
L.S. 4 0 0
PLAN 8
SIZE 0.12 0.17 0.21
TEMP -173.13
CONF
HTAB O1 Cl1
HTAB N2 Cl4
HTAB O2 Cl4
HTAB C1 Cl1
HTAB C3 O1_$1
HTAB C6 Cl2
HTAB C11 Cl3_$2
HTAB C17 Cl4
HTAB C19 Cl1_$3
HTAB C22 Cl2
HTAB C26 O2_$4
BOND $H
list 4
MORE -1
fmap 2 53
acta
REM
REM
REM
WGHT 0.058100 0.963600
FVAR 0.44027
NI1 5 0.664549 0.502257 0.353270 11.00000 0.01393 0.01706 =
0.01355 0.00172 0.00431 0.00003
NI2 5 0.419166 0.489603 0.159846 11.00000 0.01580 0.02104 =
0.01534 -0.00108 0.00406 -0.00191
CL2 3 0.611549 0.459284 0.192084 11.00000 0.01803 0.04308 =
0.01547 0.00372 0.00574 0.00159
CL3 3 0.483418 0.602697 0.305672 11.00000 0.01778 0.02252 =
0.01936 -0.00307 0.00344 0.00173
CL1 3 0.744865 0.751703 0.370103 11.00000 0.02399 0.01979 =
0.02442 0.00522 0.00309 -0.00480
CL4 3 0.385013 0.251907 0.212702 11.00000 0.03013 0.01803 =
0.03669 0.00206 -0.00272 -0.00424
O1 6 0.738842 0.630116 0.538864 11.00000 0.02754 0.02331 =
0.02048 -0.00508 0.00774 0.00138
H1 2 0.739823 0.704717 0.507166 11.00000 -1.50000
N1 4 0.811148 0.392608 0.378588 11.00000 0.01588 0.02485 =
0.01332 0.00171 0.00536 0.00168
N3 4 0.693871 0.504281 0.485292 11.00000 0.01627 0.02058 =
0.01696 0.00002 0.00561 0.00007
N2 4 0.621592 0.281116 0.374538 11.00000 0.01223 0.02035 =
0.02005 0.00186 0.00436 0.00190
H2 2 0.562962 0.288740 0.338635 11.00000 -1.20000
O2 6 0.190827 0.453327 0.149677 11.00000 0.01863 0.05170 =
0.03122 0.01278 0.00987 -0.00033
H2A 2 0.226274 0.389265 0.176352 11.00000 -1.50000
C8 1 0.684631 0.387728 0.525810 11.00000 0.01842 0.02608 =
0.01976 0.00582 0.01133 0.00794
C5 1 0.800832 0.243091 0.369945 11.00000 0.02206 0.02513 =
0.01464 0.00065 0.00864 0.00339
N6 4 0.261887 0.547059 0.131767 11.00000 0.01817 0.02756 =
0.01625 -0.00067 0.00545 0.00107
N5 4 0.408143 0.694332 0.093604 11.00000 0.02854 0.03999 =
0.03338 0.01950 -0.00404 -0.01782
H5 2 0.468170 0.735536 0.139575 11.00000 -1.20000
C12 1 0.700146 0.112304 0.510695 11.00000 0.01996 0.02450 =
0.02737 0.00875 0.00635 -0.00086
AFIX 23
H12A 2 0.660298 0.022653 0.478112 11.00000 -1.20000
H12B 2 0.770464 0.117488 0.504159 11.00000 -1.20000
AFIX 0
C14 1 0.903328 0.235605 0.675850 11.00000 0.02486 0.03250 =
0.01590 0.00436 0.00449 0.00634
C3 1 0.992534 0.213558 0.413082 11.00000 0.02533 0.03590 =
0.02907 0.00438 0.01110 0.01251
AFIX 43
H3 2 1.054899 0.151943 0.425362 11.00000 -1.20000
AFIX 0
C9 1 0.719242 0.376526 0.625269 11.00000 0.03201 0.03738 =
0.01848 0.00595 0.01446 0.01060
AFIX 23
H9A 2 0.653362 0.378843 0.638523 11.00000 -1.20000
H9B 2 0.764996 0.464264 0.654444 11.00000 -1.20000
AFIX 0
C1 1 0.910867 0.453119 0.404371 11.00000 0.01937 0.02822 =
0.01852 0.00244 0.00774 0.00062
AFIX 43
H1A 2 0.918464 0.558677 0.410777 11.00000 -1.20000
AFIX 0
C30 1 0.036920 0.641627 -0.111432 11.00000 0.03474 0.04100 =
0.03288 0.00000 0.01538 0.00596
N4 4 0.366880 0.414341 0.028165 11.00000 0.02228 0.06132 =
0.02058 -0.00482 0.00436 0.01566
C2 1 1.004098 0.366035 0.422154 11.00000 0.01490 0.04114 =
0.02808 0.00664 0.00971 0.00186
AFIX 43
H2B 2 1.074096 0.411370 0.440161 11.00000 -1.20000
AFIX 0
C25 1 0.102895 0.707242 0.054600 11.00000 0.03325 0.04733 =
0.03060 -0.00050 0.00887 0.02152
AFIX 23
H25A 2 0.095090 0.786671 0.093629 11.00000 -1.20000
H25B 2 0.059972 0.619493 0.058673 11.00000 -1.20000
AFIX 0
C7 1 0.631403 0.254030 0.467814 11.00000 0.01745 0.02535 =
0.02151 0.00771 0.01045 0.00138
C4 1 0.889664 0.149917 0.385977 11.00000 0.02537 0.03155 =
0.02717 0.00244 0.01138 0.01062
AFIX 43
H4 2 0.880183 0.044699 0.378533 11.00000 -1.20000
AFIX 0
C24 1 0.220831 0.664146 0.086898 11.00000 0.02939 0.02524 =
0.01735 -0.00524 0.00409 0.00801
C6 1 0.685539 0.184845 0.340190 11.00000 0.02433 0.01706 =
0.02355 -0.00257 0.00939 0.00460
AFIX 23
H6A 2 0.649955 0.182503 0.274260 11.00000 -1.20000
H6B 2 0.687313 0.081400 0.362311 11.00000 -1.20000
AFIX 0
C10 1 0.784433 0.231902 0.664353 11.00000 0.02977 0.03419 =
0.02369 0.01223 0.01425 0.00663
AFIX 13
H10 2 0.785669 0.219265 0.725250 11.00000 -1.20000
AFIX 0
C23 1 0.299898 0.772422 0.073211 11.00000 0.04757 0.01461 =
0.03226 0.00641 0.00076 -0.00308
C15 1 0.941930 0.322036 0.629644 11.00000 0.02042 0.03567 =
0.02784 0.00830 0.00319 0.00135
AFIX 93
H15A 2 1.016603 0.314817 0.638711 11.00000 -1.20000
H15B 2 0.894916 0.391186 0.587469 11.00000 -1.20000
AFIX 0
C31 1 0.066319 0.500566 -0.093068 11.00000 0.02673 0.03257 =
0.03155 0.00127 0.00585 -0.00461
AFIX 93
H31A 2 0.053020 0.430999 -0.140077 11.00000 -1.20000
H31B 2 0.100801 0.468485 -0.032826 11.00000 -1.20000
AFIX 0
C13 1 0.513903 0.239399 0.462757 11.00000 0.01982 0.04045 =
0.03391 0.01002 0.01080 -0.00120
AFIX 137
H13A 2 0.471161 0.327732 0.433110 11.00000 -1.50000
H13B 2 0.516636 0.231714 0.523147 11.00000 -1.50000
H13C 2 0.479378 0.149469 0.428806 11.00000 -1.50000
AFIX 0
C11 1 0.723646 0.095146 0.609358 11.00000 0.02576 0.03323 =
0.03500 0.01829 0.01452 0.00083
AFIX 23
H11A 2 0.768517 0.004325 0.633040 11.00000 -1.20000
H11B 2 0.653697 0.081821 0.615749 11.00000 -1.20000
AFIX 0
C16 1 0.977581 0.125878 0.742750 11.00000 0.03287 0.03724 =
0.02419 0.01054 0.01197 0.00878
AFIX 137
H16A 2 0.980940 0.149758 0.802043 11.00000 -1.50000
H16B 2 1.051172 0.132186 0.743621 11.00000 -1.50000
H16C 2 0.948965 0.024270 0.726130 11.00000 -1.50000
AFIX 0
C18 1 0.274096 0.244081 -0.093745 11.00000 0.05935 0.06747 =
0.03237 -0.01141 0.00274 0.02594
AFIX 43
H18 2 0.234602 0.153747 -0.115022 11.00000 -1.20000
AFIX 0
C17 1 0.315062 0.283192 -0.005511 11.00000 0.04013 0.05744 =
0.03199 -0.02044 -0.00410 0.02464
AFIX 43
H17 2 0.306660 0.213712 0.035033 11.00000 -1.20000
AFIX 0
C26 1 0.056478 0.763776 -0.042085 11.00000 0.04262 0.04732 =
0.02815 0.00239 0.00534 0.02749
AFIX 13
H26 2 -0.016160 0.810447 -0.054167 11.00000 -1.20000
AFIX 0
C21 1 0.380415 0.513950 -0.025356 11.00000 0.02995 0.09091 =
0.03087 0.01599 0.01281 0.02418
C28 1 0.247857 0.832311 -0.023666 11.00000 0.05317 0.02868 =
0.04322 0.01778 -0.00152 -0.00487
AFIX 23
H28A 2 0.293285 0.915184 -0.030027 11.00000 -1.20000
H28B 2 0.247256 0.751483 -0.065083 11.00000 -1.20000
AFIX 0
C32 1 -0.017647 0.692631 -0.206696 11.00000 0.11453 0.05041 =
0.02568 0.00204 0.01623 0.02808
AFIX 137
H32A 2 0.032890 0.756035 -0.220891 11.00000 -1.50000
H32B 2 -0.083660 0.749858 -0.215141 11.00000 -1.50000
H32C 2 -0.037751 0.605256 -0.246168 11.00000 -1.50000
AFIX 0
C22 1 0.437319 0.651054 0.016189 11.00000 0.03287 0.11306 =
0.04914 0.05670 0.01973 0.01028
AFIX 23
H22A 2 0.416191 0.732765 -0.028357 11.00000 -1.20000
H22B 2 0.517365 0.635850 0.038173 11.00000 -1.20000
AFIX 0
C27 1 0.131234 0.888259 -0.049281 11.00000 0.06931 0.02900 =
0.04119 0.00712 -0.00428 0.01657
AFIX 23
H27A 2 0.101814 0.926492 -0.111198 11.00000 -1.20000
H27B 2 0.132010 0.972060 -0.009604 11.00000 -1.20000
AFIX 0
C29 1 0.327217 0.896779 0.140303 11.00000 0.09080 0.02674 =
0.05062 -0.00145 -0.00743 0.00001
AFIX 137
H29A 2 0.368891 0.856492 0.200143 11.00000 -1.50000
H29B 2 0.259425 0.942465 0.137844 11.00000 -1.50000
H29C 2 0.371164 0.972534 0.126705 11.00000 -1.50000
AFIX 0
C19 1 0.292658 0.339053 -0.147393 11.00000 0.09285 0.07134 =
0.05479 -0.02017 0.04363 0.01439
AFIX 43
H19 2 0.270015 0.312455 -0.208304 11.00000 -1.20000
AFIX 0
C20 1 0.342732 0.473372 -0.119579 11.00000 0.06829 0.10396 =
0.04002 0.03519 0.02459 0.02994
AFIX 43
H20 2 0.353114 0.539853 -0.160608 11.00000 -1.20000
AFIX 0
HKLF 4
REM ms2_a.res in P2(1)
REM wR2 = 0.108770, GooF = S = 1.04560, Restrained GooF = 1.04624 for all data
REM R1 = 0.043365 for 9436 Fo > 4sig(Fo) and 0.052356 for all 10769 data
REM 431 parameters refined using 13 restraints
END
WGHT 0.0581 0.9636
REM Highest difference peak 1.502, deepest hole -1.185, 1-sigma level 0.099
Q1 1 0.4110 0.2459 0.1791 11.00000 0.05 1.50
Q2 1 0.3427 0.4253 -0.1628 11.00000 0.05 0.83
Q3 1 0.5283 0.9376 0.2247 11.00000 0.05 0.83
Q4 1 0.3771 0.5746 -0.1135 11.00000 0.05 0.81
Q5 1 0.3240 0.3114 -0.1006 11.00000 0.05 0.79
Q6 1 0.3366 0.3325 -0.0327 11.00000 0.05 0.63
Q7 1 0.4277 0.7355 0.0364 11.00000 0.05 0.55
Q8 1 0.3664 0.4907 0.0965 11.00000 0.05 0.55
;
_shelx_res_checksum 97173
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni Ni1 0.66455(4) 0.50226(6) 0.35327(3) 0.01526(11) Uani d 1 . .
Ni Ni2 0.41917(4) 0.48960(6) 0.15985(3) 0.01813(12) Uani d 1 . .
Cl Cl2 0.61155(8) 0.45928(14) 0.19208(7) 0.0259(2) Uani d 1 . .
Cl Cl3 0.48342(7) 0.60270(12) 0.30567(7) 0.0212(2) Uani d 1 . .
Cl Cl1 0.74487(8) 0.75170(12) 0.37010(7) 0.0249(2) Uani d 1 . .
Cl Cl4 0.38501(9) 0.25191(13) 0.21270(9) 0.0336(3) Uani d 1 . .
O O1 0.7388(3) 0.6301(4) 0.5389(2) 0.0244(7) Uani d 1 . .
H H1 0.740(5) 0.705(7) 0.507(4) 0.037 Uiso d 1 . .
N N1 0.8111(3) 0.3926(4) 0.3786(2) 0.0182(7) Uani d 1 . .
N N3 0.6939(2) 0.5043(5) 0.4853(2) 0.0183(6) Uani d 1 . .
N N2 0.6216(3) 0.2811(4) 0.3745(2) 0.0183(7) Uani d 1 . .
H H2 0.563(4) 0.289(6) 0.339(3) 0.022 Uiso d 1 . .
O O2 0.1908(3) 0.4533(5) 0.1497(2) 0.0339(9) Uani d 1 . .
H H2A 0.226(6) 0.389(9) 0.176(5) 0.051 Uiso d 1 . .
C C8 0.6846(3) 0.3877(5) 0.5258(3) 0.0203(8) Uani d 1 . .
C C5 0.8008(3) 0.2431(5) 0.3699(3) 0.0202(8) Uani d 1 . .
N N6 0.2619(3) 0.5471(4) 0.1318(2) 0.0212(8) Uani d 1 . .
N N5 0.4081(3) 0.6943(5) 0.0936(3) 0.0394(12) Uani d 1 . .
H H5 0.468(5) 0.736(8) 0.140(4) 0.047 Uiso d 1 . .
C C12 0.7001(3) 0.1123(6) 0.5107(3) 0.0250(9) Uani d 1 . .
H H12A 0.660298 0.022653 0.478112 0.030 Uiso calc 1 . .
H H12B 0.770464 0.117488 0.504159 0.030 Uiso calc 1 . .
C C14 0.9033(3) 0.2356(6) 0.6758(3) 0.0257(9) Uani d 1 . .
C C3 0.9925(4) 0.2136(6) 0.4131(3) 0.0301(11) Uani d 1 . .
H H3 1.054899 0.151943 0.425362 0.036 Uiso calc 1 . .
C C9 0.7192(4) 0.3765(6) 0.6253(3) 0.0279(10) Uani d 1 . .
H H9A 0.653362 0.378843 0.638523 0.034 Uiso calc 1 . .
H H9B 0.764996 0.464264 0.654444 0.034 Uiso calc 1 . .
C C1 0.9109(3) 0.4531(5) 0.4044(3) 0.0220(9) Uani d 1 . .
H H1A 0.918464 0.558677 0.410777 0.026 Uiso calc 1 . .
C C30 0.0369(4) 0.6416(7) -0.1114(4) 0.0357(12) Uani d 1 . .
N N4 0.3669(3) 0.4143(6) 0.0282(3) 0.0361(11) Uani d 1 . .
C C2 1.0041(3) 0.3660(6) 0.4222(3) 0.0277(10) Uani d 1 . .
H H2B 1.074096 0.411370 0.440161 0.033 Uiso calc 1 . .
C C25 0.1029(4) 0.7072(7) 0.0546(4) 0.0384(13) Uani d 1 . .
H H25A 0.095090 0.786671 0.093629 0.046 Uiso calc 1 . .
H H25B 0.059972 0.619493 0.058673 0.046 Uiso calc 1 . .
C C7 0.6314(3) 0.2540(5) 0.4678(3) 0.0206(8) Uani d 1 . .
C C4 0.8897(4) 0.1499(6) 0.3860(3) 0.0278(10) Uani d 1 . .
H H4 0.880183 0.044699 0.378533 0.033 Uiso calc 1 . .
C C24 0.2208(4) 0.6641(5) 0.0869(3) 0.0258(10) Uani d 1 . .
C C6 0.6855(3) 0.1848(5) 0.3402(3) 0.0218(8) Uani d 1 . .
H H6A 0.649955 0.182503 0.274260 0.026 Uiso calc 1 . .
H H6B 0.687313 0.081400 0.362311 0.026 Uiso calc 1 . .
C C10 0.7844(4) 0.2319(6) 0.6644(3) 0.0281(10) Uani d 1 . .
H H10 0.785669 0.219265 0.725250 0.034 Uiso calc 1 . .
C C23 0.2999(4) 0.7724(5) 0.0732(4) 0.0365(12) Uani d 1 . .
C C15 0.9419(4) 0.3220(6) 0.6296(3) 0.0301(10) Uani d 1 . .
H H15A 1.016603 0.314817 0.638711 0.036 Uiso calc 1 . .
H H15B 0.894916 0.391186 0.587469 0.036 Uiso calc 1 . .
C C31 0.0663(3) 0.5006(7) -0.0931(3) 0.0322(10) Uani d 1 . .
H H31A 0.053020 0.430999 -0.140077 0.039 Uiso calc 1 . .
H H31B 0.100801 0.468485 -0.032826 0.039 Uiso calc 1 . .
C C13 0.5139(3) 0.2394(7) 0.4628(3) 0.0314(11) Uani d 1 . .
H H13A 0.471161 0.327732 0.433110 0.047 Uiso calc 1 . .
H H13B 0.516636 0.231714 0.523147 0.047 Uiso calc 1 . .
H H13C 0.479378 0.149469 0.428806 0.047 Uiso calc 1 . .
C C11 0.7236(4) 0.0951(6) 0.6094(3) 0.0306(11) Uani d 1 . .
H H11A 0.768517 0.004325 0.633040 0.037 Uiso calc 1 . .
H H11B 0.653697 0.081821 0.615749 0.037 Uiso calc 1 . .
C C16 0.9776(4) 0.1259(6) 0.7427(3) 0.0313(11) Uani d 1 . .
H H16A 0.980940 0.149758 0.802043 0.047 Uiso calc 1 . .
H H16B 1.051172 0.132186 0.743621 0.047 Uiso calc 1 . .
H H16C 0.948965 0.024270 0.726130 0.047 Uiso calc 1 . .
C C18 0.2741(6) 0.2441(10) -0.0937(4) 0.0582(18) Uani d 1 . .
H H18 0.234602 0.153747 -0.115022 0.070 Uiso calc 1 . .
C C17 0.3151(5) 0.2832(8) -0.0055(4) 0.0493(16) Uani d 1 . .
H H17 0.306660 0.213712 0.035033 0.059 Uiso calc 1 . .
C C26 0.0565(4) 0.7638(7) -0.0421(4) 0.0423(14) Uani d 1 . .
H H26 -0.016160 0.810447 -0.054167 0.051 Uiso calc 1 . .
C C21 0.3804(4) 0.5139(10) -0.0254(4) 0.0504(17) Uani d 1 . .
C C28 0.2479(5) 0.8323(7) -0.0237(4) 0.0486(16) Uani d 1 . .
H H28A 0.293285 0.915184 -0.030027 0.058 Uiso calc 1 . .
H H28B 0.247256 0.751483 -0.065083 0.058 Uiso calc 1 . .
C C32 -0.0176(7) 0.6926(9) -0.2067(4) 0.068(2) Uani d 1 . .
H H32A 0.032890 0.756035 -0.220891 0.101 Uiso calc 1 . .
H H32B -0.083660 0.749858 -0.215141 0.101 Uiso calc 1 . .
H H32C -0.037751 0.605256 -0.246168 0.101 Uiso calc 1 . .
C C22 0.4373(5) 0.6511(10) 0.0162(4) 0.064(2) Uani d 1 . .
H H22A 0.416191 0.732765 -0.028357 0.077 Uiso calc 1 . .
H H22B 0.517365 0.635850 0.038173 0.077 Uiso calc 1 . .
C C27 0.1312(6) 0.8883(7) -0.0493(4) 0.0552(18) Uani d 1 . .
H H27A 0.101814 0.926492 -0.111198 0.066 Uiso calc 1 . .
H H27B 0.132010 0.972060 -0.009604 0.066 Uiso calc 1 . .
C C29 0.3272(7) 0.8968(8) 0.1403(5) 0.068(2) Uani d 1 . .
H H29A 0.368891 0.856492 0.200143 0.102 Uiso calc 1 . .
H H29B 0.259425 0.942465 0.137844 0.102 Uiso calc 1 . .
H H29C 0.371164 0.972534 0.126705 0.102 Uiso calc 1 . .
C C19 0.2927(7) 0.3391(10) -0.1474(5) 0.069(2) Uani d 1 . .
H H19 0.270015 0.312455 -0.208304 0.082 Uiso calc 1 . .
C C20 0.3427(6) 0.4734(12) -0.1196(4) 0.070(2) Uani d 1 . .
H H20 0.353114 0.539853 -0.160608 0.084 Uiso calc 1 . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ni1 0.01393(19) 0.0171(2) 0.0136(2) 0.0000(2) 0.00431(17) 0.0017(2)
Ni2 0.0158(2) 0.0210(3) 0.0153(2) -0.0019(2) 0.00406(17) -0.0011(2)
Cl2 0.0180(4) 0.0431(7) 0.0155(4) 0.0016(4) 0.0057(3) 0.0037(4)
Cl3 0.0178(4) 0.0225(5) 0.0194(5) 0.0017(4) 0.0034(4) -0.0031(4)
Cl1 0.0240(5) 0.0198(5) 0.0244(5) -0.0048(4) 0.0031(4) 0.0052(4)
Cl4 0.0301(5) 0.0180(5) 0.0367(7) -0.0042(4) -0.0027(5) 0.0021(5)
O1 0.0275(15) 0.0233(17) 0.0205(16) 0.0014(13) 0.0077(13) -0.0051(13)
N1 0.0159(14) 0.0249(19) 0.0133(16) 0.0017(13) 0.0054(13) 0.0017(14)
N3 0.0163(13) 0.0206(17) 0.0170(15) 0.0001(15) 0.0056(12) 0.0000(16)
N2 0.0122(13) 0.0204(19) 0.0200(18) 0.0019(13) 0.0044(13) 0.0019(14)
O2 0.0186(14) 0.052(3) 0.0312(19) -0.0003(14) 0.0099(13) 0.0128(17)
C8 0.0184(18) 0.026(2) 0.020(2) 0.0079(16) 0.0113(16) 0.0058(17)
C5 0.0221(18) 0.025(2) 0.0146(19) 0.0034(17) 0.0086(15) 0.0006(17)
N6 0.0182(15) 0.028(2) 0.0163(17) 0.0011(13) 0.0055(14) -0.0007(14)
N5 0.029(2) 0.040(3) 0.033(2) -0.0178(19) -0.0040(18) 0.020(2)
C12 0.0200(18) 0.025(2) 0.027(2) -0.0009(17) 0.0064(17) 0.0088(19)
C14 0.0249(19) 0.033(3) 0.016(2) 0.0063(18) 0.0045(16) 0.0044(19)
C3 0.025(2) 0.036(3) 0.029(3) 0.0125(19) 0.0111(19) 0.004(2)
C9 0.032(2) 0.037(3) 0.018(2) 0.011(2) 0.0145(18) 0.006(2)
C1 0.0194(17) 0.028(2) 0.019(2) 0.0006(16) 0.0077(15) 0.0024(17)
C30 0.035(2) 0.041(3) 0.033(3) 0.006(2) 0.015(2) 0.000(2)
N4 0.0223(18) 0.061(3) 0.021(2) 0.0157(19) 0.0044(16) -0.005(2)
C2 0.0149(17) 0.041(3) 0.028(2) 0.0019(18) 0.0097(17) 0.007(2)
C25 0.033(2) 0.047(3) 0.031(3) 0.022(2) 0.009(2) -0.001(2)
C7 0.0174(16) 0.025(2) 0.022(2) 0.0014(16) 0.0105(15) 0.0077(18)
C4 0.025(2) 0.032(3) 0.027(2) 0.0106(18) 0.0114(18) 0.002(2)
C24 0.029(2) 0.025(2) 0.017(2) 0.0080(18) 0.0041(18) -0.0052(18)
C6 0.0243(19) 0.017(2) 0.024(2) 0.0046(16) 0.0094(17) -0.0026(17)
C10 0.030(2) 0.034(3) 0.024(2) 0.007(2) 0.0142(18) 0.012(2)
C23 0.048(3) 0.015(2) 0.032(3) -0.003(2) 0.001(2) 0.006(2)
C15 0.0204(19) 0.036(3) 0.028(2) 0.0014(18) 0.0032(18) 0.008(2)
C31 0.0267(19) 0.033(2) 0.032(2) -0.005(2) 0.0058(18) 0.001(3)
C13 0.0198(19) 0.040(3) 0.034(3) -0.001(2) 0.0108(18) 0.010(2)
C11 0.026(2) 0.033(3) 0.035(3) 0.0008(19) 0.015(2) 0.018(2)
C16 0.033(2) 0.037(3) 0.024(2) 0.009(2) 0.0120(19) 0.011(2)
C18 0.059(4) 0.067(4) 0.032(3) 0.026(4) 0.003(3) -0.011(3)
C17 0.040(3) 0.057(4) 0.032(3) 0.025(3) -0.004(2) -0.020(3)
C26 0.043(3) 0.047(4) 0.028(3) 0.027(3) 0.005(2) 0.002(2)
C21 0.030(2) 0.091(5) 0.031(3) 0.024(3) 0.013(2) 0.016(3)
C28 0.053(3) 0.029(3) 0.043(3) -0.005(3) -0.002(3) 0.018(3)
C32 0.115(7) 0.050(4) 0.026(3) 0.028(4) 0.016(4) 0.002(3)
C22 0.033(3) 0.113(7) 0.049(4) 0.010(3) 0.020(3) 0.057(4)
C27 0.069(4) 0.029(3) 0.041(3) 0.017(3) -0.004(3) 0.007(3)
C29 0.091(5) 0.027(3) 0.051(4) 0.000(3) -0.007(4) -0.001(3)
C19 0.093(6) 0.071(5) 0.055(4) 0.014(4) 0.044(4) -0.020(4)
C20 0.068(4) 0.104(6) 0.040(3) 0.030(4) 0.025(3) 0.035(4)
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cl3 Ni1 Cl2 . . 84.13(4) ?
Cl3 Ni1 Cl1 . . 91.99(4) ?
Cl1 Ni1 Cl2 . . 100.61(4) ?
N1 Ni1 Cl2 . . 88.69(10) ?
N1 Ni1 Cl3 . . 171.31(10) ?
N1 Ni1 Cl1 . . 94.14(11) ?
N1 Ni1 N2 . . 79.91(13) ?
N3 Ni1 Cl2 . . 170.10(12) ?
N3 Ni1 Cl3 . . 94.30(9) ?
N3 Ni1 Cl1 . . 89.21(12) ?
N3 Ni1 N1 . . 91.94(13) ?
N3 Ni1 N2 . . 77.38(15) ?
N2 Ni1 Cl2 . . 93.02(10) ?
N2 Ni1 Cl3 . . 95.56(9) ?
N2 Ni1 Cl1 . . 165.04(11) ?
Cl3 Ni2 Cl2 . . 84.97(4) ?
Cl4 Ni2 Cl2 . . 99.38(4) ?
Cl4 Ni2 Cl3 . . 93.14(5) ?
N6 Ni2 Cl2 . . 171.72(12) ?
N6 Ni2 Cl3 . . 92.13(11) ?
N6 Ni2 Cl4 . . 88.51(11) ?
N6 Ni2 N5 . . 79.29(16) ?
N6 Ni2 N4 . . 88.11(15) ?
N5 Ni2 Cl2 . . 93.15(13) ?
N5 Ni2 Cl3 . . 94.06(15) ?
N5 Ni2 Cl4 . . 166.04(12) ?
N4 Ni2 Cl2 . . 93.92(11) ?
N4 Ni2 Cl3 . . 173.62(15) ?
N4 Ni2 Cl4 . . 93.24(16) ?
N4 Ni2 N5 . . 79.7(2) ?
Ni2 Cl2 Ni1 . . 91.88(4) ?
Ni1 Cl3 Ni2 . . 94.09(4) ?
N3 O1 H1 . . 111(4) ?
C5 N1 Ni1 . . 113.6(3) ?
C1 N1 Ni1 . . 127.6(3) ?
C1 N1 C5 . . 118.8(4) ?
O1 N3 Ni1 . . 121.4(3) ?
C8 N3 Ni1 . . 122.2(3) ?
C8 N3 O1 . . 115.9(3) ?
Ni1 N2 H2 . . 93(4) ?
C7 N2 Ni1 . . 113.6(3) ?
C7 N2 H2 . . 116(4) ?
C6 N2 Ni1 . . 104.0(2) ?
C6 N2 H2 . . 109(4) ?
C6 N2 C7 . . 118.1(3) ?
N6 O2 H2A . . 105(5) ?
N3 C8 C9 . . 124.7(4) ?
N3 C8 C7 . . 116.1(4) ?
C9 C8 C7 . . 119.2(4) ?
N1 C5 C4 . . 122.3(4) ?
N1 C5 C6 . . 115.1(4) ?
C4 C5 C6 . . 122.6(4) ?
O2 N6 Ni2 . . 122.4(3) ?
C24 N6 Ni2 . . 120.3(3) ?
C24 N6 O2 . . 116.7(4) ?
Ni2 N5 H5 . . 94(4) ?
C23 N5 Ni2 . . 112.0(3) ?
C23 N5 H5 . . 115(4) ?
C23 N5 C22 . . 118.6(4) ?
C22 N5 Ni2 . . 102.9(4) ?
C22 N5 H5 . . 110(4) ?
H12A C12 H12B . . 107.8 ?
C7 C12 H12A . . 109.0 ?
C7 C12 H12B . . 109.0 ?
C11 C12 H12A . . 109.0 ?
C11 C12 H12B . . 109.0 ?
C11 C12 C7 . . 113.0(4) ?
C15 C14 C10 . . 124.9(4) ?
C15 C14 C16 . . 120.2(4) ?
C16 C14 C10 . . 114.9(4) ?
C2 C3 H3 . . 120.1 ?
C2 C3 C4 . . 119.7(4) ?
C4 C3 H3 . . 120.1 ?
C8 C9 H9A . . 109.2 ?
C8 C9 H9B . . 109.2 ?
C8 C9 C10 . . 112.2(4) ?
H9A C9 H9B . . 107.9 ?
C10 C9 H9A . . 109.2 ?
C10 C9 H9B . . 109.2 ?
N1 C1 H1A . . 119.0 ?
N1 C1 C2 . . 122.1(4) ?
C2 C1 H1A . . 119.0 ?
C31 C30 C26 . . 124.8(5) ?
C31 C30 C32 . . 120.1(5) ?
C32 C30 C26 . . 115.1(5) ?
C17 N4 Ni2 . . 126.7(4) ?
C21 N4 Ni2 . . 113.2(4) ?
C21 N4 C17 . . 119.9(5) ?
C3 C2 C1 . . 118.6(4) ?
C3 C2 H2B . . 120.7 ?
C1 C2 H2B . . 120.7 ?
H25A C25 H25B . . 107.9 ?
C24 C25 H25A . . 109.2 ?
C24 C25 H25B . . 109.2 ?
C24 C25 C26 . . 112.1(4) ?
C26 C25 H25A . . 109.2 ?
C26 C25 H25B . . 109.2 ?
N2 C7 C8 . . 109.8(3) ?
N2 C7 C12 . . 112.5(3) ?
N2 C7 C13 . . 107.1(3) ?
C8 C7 C12 . . 108.5(3) ?
C8 C7 C13 . . 108.0(4) ?
C13 C7 C12 . . 110.9(4) ?
C5 C4 H4 . . 120.7 ?
C3 C4 C5 . . 118.5(5) ?
C3 C4 H4 . . 120.7 ?
N6 C24 C25 . . 124.3(5) ?
N6 C24 C23 . . 116.7(4) ?
C25 C24 C23 . . 118.8(4) ?
N2 C6 C5 . . 110.5(4) ?
N2 C6 H6A . . 109.6 ?
N2 C6 H6B . . 109.6 ?
C5 C6 H6A . . 109.6 ?
C5 C6 H6B . . 109.6 ?
H6A C6 H6B . . 108.1 ?
C14 C10 C9 . . 114.7(4) ?
C14 C10 H10 . . 106.7 ?
C14 C10 C11 . . 111.4(4) ?
C9 C10 H10 . . 106.7 ?
C11 C10 C9 . . 110.3(4) ?
C11 C10 H10 . . 106.7 ?
N5 C23 C28 . . 112.0(5) ?
C24 C23 N5 . . 109.5(4) ?
C24 C23 C28 . . 108.9(4) ?
C29 C23 N5 . . 104.7(5) ?
C29 C23 C24 . . 109.9(5) ?
C29 C23 C28 . . 111.8(5) ?
C14 C15 H15A . . 120.0 ?
C14 C15 H15B . . 120.0 ?
H15A C15 H15B . . 120.0 ?
C30 C31 H31A . . 120.0 ?
C30 C31 H31B . . 120.0 ?
H31A C31 H31B . . 120.0 ?
C7 C13 H13A . . 109.5 ?
C7 C13 H13B . . 109.5 ?
C7 C13 H13C . . 109.5 ?
H13A C13 H13B . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C12 C11 C10 . . 112.0(4) ?
C12 C11 H11A . . 109.2 ?
C12 C11 H11B . . 109.2 ?
C10 C11 H11A . . 109.2 ?
C10 C11 H11B . . 109.2 ?
H11A C11 H11B . . 107.9 ?
C14 C16 H16A . . 109.5 ?
C14 C16 H16B . . 109.5 ?
C14 C16 H16C . . 109.5 ?
H16A C16 H16B . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C17 C18 H18 . . 121.9 ?
C19 C18 H18 . . 121.9 ?
C19 C18 C17 . . 116.1(8) ?
N4 C17 C18 . . 124.7(7) ?
N4 C17 H17 . . 117.7 ?
C18 C17 H17 . . 117.7 ?
C30 C26 C25 . . 114.3(5) ?
C30 C26 H26 . . 107.1 ?
C30 C26 C27 . . 112.5(5) ?
C25 C26 H26 . . 107.1 ?
C27 C26 C25 . . 108.5(5) ?
C27 C26 H26 . . 107.1 ?
N4 C21 C22 . . 116.4(5) ?
N4 C21 C20 . . 117.2(8) ?
C22 C21 C20 . . 126.3(7) ?
C23 C28 H28A . . 109.2 ?
C23 C28 H28B . . 109.2 ?
H28A C28 H28B . . 107.9 ?
C27 C28 C23 . . 112.2(6) ?
C27 C28 H28A . . 109.2 ?
C27 C28 H28B . . 109.2 ?
C30 C32 H32A . . 109.5 ?
C30 C32 H32B . . 109.5 ?
C30 C32 H32C . . 109.5 ?
H32A C32 H32B . . 109.5 ?
H32A C32 H32C . . 109.5 ?
H32B C32 H32C . . 109.5 ?
N5 C22 H22A . . 109.7 ?
N5 C22 H22B . . 109.7 ?
C21 C22 N5 . . 110.0(4) ?
C21 C22 H22A . . 109.7 ?
C21 C22 H22B . . 109.7 ?
H22A C22 H22B . . 108.2 ?
C26 C27 H27A . . 109.3 ?
C26 C27 H27B . . 109.3 ?
C28 C27 C26 . . 111.5(5) ?
C28 C27 H27A . . 109.3 ?
C28 C27 H27B . . 109.3 ?
H27A C27 H27B . . 108.0 ?
C23 C29 H29A . . 109.5 ?
C23 C29 H29B . . 109.5 ?
C23 C29 H29C . . 109.5 ?
H29A C29 H29B . . 109.5 ?
H29A C29 H29C . . 109.5 ?
H29B C29 H29C . . 109.5 ?
C18 C19 H19 . . 118.5 ?
C18 C19 C20 . . 123.0(7) ?
C20 C19 H19 . . 118.5 ?
C21 C20 H20 . . 120.5 ?
C19 C20 C21 . . 119.0(7) ?
C19 C20 H20 . . 120.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ni1 Cl2 . 2.4762(11) ?
Ni1 Cl3 . 2.3964(10) ?
Ni1 Cl1 . 2.4408(12) ?
Ni1 N1 . 2.077(3) ?
Ni1 N3 . 2.041(3) ?
Ni1 N2 . 2.126(4) ?
Ni2 Cl2 . 2.4216(10) ?
Ni2 Cl3 . 2.4128(12) ?
Ni2 Cl4 . 2.4077(14) ?
Ni2 N6 . 2.027(3) ?
Ni2 N5 . 2.103(4) ?
Ni2 N4 . 2.095(4) ?
O1 H1 . 0.85(7) ?
O1 N3 . 1.403(5) ?
N1 C5 . 1.345(6) ?
N1 C1 . 1.338(5) ?
N3 C8 . 1.269(6) ?
N2 H2 . 0.77(5) ?
N2 C7 . 1.503(5) ?
N2 C6 . 1.477(5) ?
O2 H2A . 0.76(8) ?
O2 N6 . 1.385(5) ?
C8 C9 . 1.509(6) ?
C8 C7 . 1.513(7) ?
C5 C4 . 1.385(6) ?
C5 C6 . 1.508(6) ?
N6 C24 . 1.269(6) ?
N5 H5 . 0.93(7) ?
N5 C23 . 1.517(7) ?
N5 C22 . 1.524(9) ?
C12 H12A . 0.9900 ?
C12 H12B . 0.9900 ?
C12 C7 . 1.555(6) ?
C12 C11 . 1.528(7) ?
C14 C10 . 1.523(6) ?
C14 C15 . 1.326(7) ?
C14 C16 . 1.506(7) ?
C3 H3 . 0.9500 ?
C3 C2 . 1.373(8) ?
C3 C4 . 1.384(7) ?
C9 H9A . 0.9900 ?
C9 H9B . 0.9900 ?
C9 C10 . 1.545(7) ?
C1 H1A . 0.9500 ?
C1 C2 . 1.396(6) ?
C30 C31 . 1.318(8) ?
C30 C26 . 1.521(8) ?
C30 C32 . 1.503(8) ?
N4 C17 . 1.359(8) ?
N4 C21 . 1.314(8) ?
C2 H2B . 0.9500 ?
C25 H25A . 0.9900 ?
C25 H25B . 0.9900 ?
C25 C24 . 1.495(6) ?
C25 C26 . 1.536(8) ?
C7 C13 . 1.545(5) ?
C4 H4 . 0.9500 ?
C24 C23 . 1.516(7) ?
C6 H6A . 0.9900 ?
C6 H6B . 0.9900 ?
C10 H10 . 1.0000 ?
C10 C11 . 1.540(8) ?
C23 C28 . 1.550(8) ?
C23 C29 . 1.502(9) ?
C15 H15A . 0.9500 ?
C15 H15B . 0.9500 ?
C31 H31A . 0.9500 ?
C31 H31B . 0.9500 ?
C13 H13A . 0.9800 ?
C13 H13B . 0.9800 ?
C13 H13C . 0.9800 ?
C11 H11A . 0.9900 ?
C11 H11B . 0.9900 ?
C16 H16A . 0.9800 ?
C16 H16B . 0.9800 ?
C16 H16C . 0.9800 ?
C18 H18 . 0.9500 ?
C18 C17 . 1.370(8) ?
C18 C19 . 1.318(12) ?
C17 H17 . 0.9500 ?
C26 H26 . 1.0000 ?
C26 C27 . 1.532(10) ?
C21 C22 . 1.457(12) ?
C21 C20 . 1.465(10) ?
C28 H28A . 0.9900 ?
C28 H28B . 0.9900 ?
C28 C27 . 1.525(9) ?
C32 H32A . 0.9800 ?
C32 H32B . 0.9800 ?
C32 H32C . 0.9800 ?
C22 H22A . 0.9900 ?
C22 H22B . 0.9900 ?
C27 H27A . 0.9900 ?
C27 H27B . 0.9900 ?
C29 H29A . 0.9800 ?
C29 H29B . 0.9800 ?
C29 H29C . 0.9800 ?
C19 H19 . 0.9500 ?
C19 C20 . 1.360(13) ?
C20 H20 . 0.9500 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O1 H1 Cl1 . 0.85(7) 2.32(6) 3.009(4) 139(6) yes
N2 H2 Cl4 . 0.77(5) 2.46(5) 3.209(4) 166(5) yes
O2 H2A Cl4 . 0.76(8) 2.31(7) 2.978(4) 147(7) yes
C3 H3 O1 2_746 0.95 2.58 3.432(5) 148.9 yes
C1 H1A Cl1 . 0.95 2.75 3.369(5) 123.7 yes
C6 H6A Cl2 . 0.99 2.76 3.309(5) 115.2 yes
C11 H11B Cl3 2_646 0.99 2.64 3.573(5) 156.4 yes
C17 H17 Cl4 . 0.95 2.69 3.327(6) 124.9 yes
C26 H26 O2 2 1.00 2.56 3.489(6) 154.1 yes
C22 H22B Cl2 . 0.99 2.81 3.352(6) 115.3 yes
C19 H19 Cl1 2_645 0.95 2.64 3.570(7) 166.6 yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Ni1 N1 C5 C4 . . . . -178.5(3) ?
Ni1 N1 C5 C6 . . . . 2.4(4) ?
Ni1 N1 C1 C2 . . . . 177.8(3) ?
Ni1 N3 C8 C9 . . . . 171.5(3) ?
Ni1 N3 C8 C7 . . . . -10.6(5) ?
Ni1 N2 C7 C8 . . . . -7.7(4) ?
Ni1 N2 C7 C12 . . . . -128.6(3) ?
Ni1 N2 C7 C13 . . . . 109.3(4) ?
Ni1 N2 C6 C5 . . . . 43.4(4) ?
Ni2 N6 C24 C25 . . . . 173.2(4) ?
Ni2 N6 C24 C23 . . . . -12.5(6) ?
Ni2 N5 C23 C24 . . . . -13.2(5) ?
Ni2 N5 C23 C28 . . . . -134.2(4) ?
Ni2 N5 C23 C29 . . . . 104.5(5) ?
Ni2 N5 C22 C21 . . . . 44.6(5) ?
Ni2 N4 C17 C18 . . . . 174.2(4) ?
Ni2 N4 C21 C22 . . . . 5.4(6) ?
Ni2 N4 C21 C20 . . . . -178.0(4) ?
O1 N3 C8 C9 . . . . -0.7(6) ?
O1 N3 C8 C7 . . . . 177.3(3) ?
N1 C5 C4 C3 . . . . 1.0(7) ?
N1 C5 C6 N2 . . . . -32.3(5) ?
N1 C1 C2 C3 . . . . -0.2(7) ?
N3 C8 C9 C10 . . . . -134.2(4) ?
N3 C8 C7 N2 . . . . 11.5(5) ?
N3 C8 C7 C12 . . . . 134.8(4) ?
N3 C8 C7 C13 . . . . -104.9(4) ?
O2 N6 C24 C25 . . . . 1.3(6) ?
O2 N6 C24 C23 . . . . 175.6(4) ?
C8 C9 C10 C14 . . . . 77.6(5) ?
C8 C9 C10 C11 . . . . -49.1(5) ?
C5 N1 C1 C2 . . . . 0.3(6) ?
N6 C24 C23 N5 . . . . 16.7(6) ?
N6 C24 C23 C28 . . . . 139.5(5) ?
N6 C24 C23 C29 . . . . -97.7(5) ?
N5 C23 C28 C27 . . . . 170.8(5) ?
C14 C10 C11 C12 . . . . -72.9(5) ?
C9 C8 C7 N2 . . . . -170.4(3) ?
C9 C8 C7 C12 . . . . -47.1(5) ?
C9 C8 C7 C13 . . . . 73.2(5) ?
C9 C10 C11 C12 . . . . 55.6(5) ?
C1 N1 C5 C4 . . . . -0.6(6) ?
C1 N1 C5 C6 . . . . -179.7(4) ?
C30 C26 C27 C28 . . . . -67.9(6) ?
N4 C21 C22 N5 . . . . -35.0(7) ?
N4 C21 C20 C19 . . . . 2.4(9) ?
C2 C3 C4 C5 . . . . -0.9(7) ?
C25 C24 C23 N5 . . . . -168.7(4) ?
C25 C24 C23 C28 . . . . -45.9(6) ?
C25 C24 C23 C29 . . . . 76.9(6) ?
C25 C26 C27 C28 . . . . 59.6(6) ?
C7 N2 C6 C5 . . . . -83.5(4) ?
C7 C8 C9 C10 . . . . 47.9(5) ?
C7 C12 C11 C10 . . . . -57.9(5) ?
C4 C5 C6 N2 . . . . 148.6(4) ?
C4 C3 C2 C1 . . . . 0.6(7) ?
C24 C25 C26 C30 . . . . 73.6(6) ?
C24 C25 C26 C27 . . . . -52.8(6) ?
C24 C23 C28 C27 . . . . 49.5(6) ?
C6 N2 C7 C8 . . . . 114.5(4) ?
C6 N2 C7 C12 . . . . -6.5(5) ?
C6 N2 C7 C13 . . . . -128.6(4) ?
C6 C5 C4 C3 . . . . 180.0(4) ?
C23 N5 C22 C21 . . . . -79.6(6) ?
C23 C28 C27 C26 . . . . -59.7(7) ?
C15 C14 C10 C9 . . . . -24.5(7) ?
C15 C14 C10 C11 . . . . 101.6(6) ?
C31 C30 C26 C25 . . . . -6.7(8) ?
C31 C30 C26 C27 . . . . 117.5(6) ?
C11 C12 C7 N2 . . . . 172.3(3) ?
C11 C12 C7 C8 . . . . 50.6(4) ?
C11 C12 C7 C13 . . . . -67.8(5) ?
C16 C14 C10 C9 . . . . 158.2(4) ?
C16 C14 C10 C11 . . . . -75.7(5) ?
C18 C19 C20 C21 . . . . 1.5(12) ?
C17 N4 C21 C22 . . . . -179.7(5) ?
C17 N4 C21 C20 . . . . -3.0(7) ?
C17 C18 C19 C20 . . . . -4.4(11) ?
C26 C25 C24 N6 . . . . -136.7(5) ?
C26 C25 C24 C23 . . . . 49.2(7) ?
C21 N4 C17 C18 . . . . 0.0(8) ?
C32 C30 C26 C25 . . . . 174.8(6) ?
C32 C30 C26 C27 . . . . -60.9(7) ?
C22 N5 C23 C24 . . . . 106.3(6) ?
C22 N5 C23 C28 . . . . -14.6(6) ?
C22 N5 C23 C29 . . . . -135.9(6) ?
C22 C21 C20 C19 . . . . 178.6(6) ?
C29 C23 C28 C27 . . . . -72.1(7) ?
C19 C18 C17 N4 . . . . 3.8(9) ?
C20 C21 C22 N5 . . . . 148.7(6) ?
_cod_database_fobs_code 2243940