#------------------------------------------------------------------------------
#$Date: 2021-07-14 07:57:29 +0300 (Wed, 14 Jul 2021) $
#$Revision: 267524 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/38/2243867.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_2243867
loop_
_publ_author_name
'Micallef, Duncan'
'Baisch, Ulrich'
_publ_section_title
;
Di-\m-nitrato-bis(\m-octaethyl
pyrophosphoramide)bis[aquadinitratocalcium(II)]
;
_journal_coeditor_code CQ2040
_journal_issue 8
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first 795
_journal_page_last 798
_journal_paper_doi 10.1107/S205698902100699X
_journal_volume 77
_journal_year 2021
_chemical_formula_iupac '[Ca2 (N O3)4 (C16 H40 N4 O3 P2)2 (H2 O1)2]'
_chemical_formula_moiety 'C32 H84 Ca2 N12 O20 P4'
_chemical_formula_sum 'C32 H84 Ca2 N12 O20 P4'
_chemical_formula_weight 1161.15
_chemical_name_common
;
Diaquatetranitratobis(octaethyl pyrophosphoramide)dicalcium(II)
;
_chemical_name_systematic
'Di-\m-nitrato-\k^3^O,O':O;O:O,O'-bis(\m-octaethyl pyrophosphoramide-\k^2^O:O')bis[aquabis(nitrato-\k^2^O,O')calcium(II)]'
_space_group_crystal_system monoclinic
_space_group_IT_number 14
_space_group_name_Hall '-P 2yn'
_space_group_name_H-M_alt 'P 1 21/n 1'
_atom_sites_solution_hydrogens mixed
_atom_sites_solution_primary dual
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha 90
_cell_angle_beta 96.707(5)
_cell_angle_gamma 90
_cell_formula_units_Z 2
_cell_length_a 10.6249(7)
_cell_length_b 15.5774(12)
_cell_length_c 17.0925(10)
_cell_measurement_reflns_used 18894
_cell_measurement_temperature 150
_cell_measurement_theta_max 50.04
_cell_measurement_theta_min 2.23
_cell_volume 2809.6(3)
_computing_cell_refinement
;
X-Area Recipe (Stoe & Cie, 2020)
;
_computing_data_collection
;
X-Area (Stoe & Cie, 2020)
;
_computing_data_reduction
;
X-Area Integrate (Stoe & Cie, 2020),
X-Red (Stoe & Cie, 2020)
;
_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 150
_diffrn_detector Pilatus200K
_diffrn_detector_area_resol_mean 5.81
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device 'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type 'Stoe Stadivari'
_diffrn_measurement_method 'rotation method, \w scans'
_diffrn_radiation_monochromator 'Graded multilayer mirror'
_diffrn_radiation_probe x-ray
_diffrn_radiation_type CuK\a
_diffrn_radiation_wavelength 1.54186
_diffrn_reflns_av_R_equivalents 0.1042
_diffrn_reflns_av_unetI/netI 0.0160
_diffrn_reflns_limit_h_max 9
_diffrn_reflns_limit_h_min -12
_diffrn_reflns_limit_k_max 17
_diffrn_reflns_limit_k_min -18
_diffrn_reflns_limit_l_max 15
_diffrn_reflns_limit_l_min -20
_diffrn_reflns_number 4816
_diffrn_reflns_theta_full 65.645
_diffrn_reflns_theta_max 65.645
_diffrn_reflns_theta_min 3.851
_diffrn_source Genix-Cu
_diffrn_source_current 0.600
_diffrn_source_power 0.030
_diffrn_source_voltage 50
_exptl_absorpt_coefficient_mu 3.503
_exptl_absorpt_correction_T_max 0.8272
_exptl_absorpt_correction_T_min 0.5870
_exptl_absorpt_correction_type integration
_exptl_absorpt_process_details
;
(X-RED32; Stoe & Cie, 2020),
;
_exptl_crystal_colour 'clear colourless'
_exptl_crystal_density_diffrn 1.373
_exptl_crystal_description block
_exptl_crystal_F_000 1240
_exptl_crystal_size_max 0.21
_exptl_crystal_size_mid 0.07
_exptl_crystal_size_min 0.06
_refine_diff_density_max 0.571
_refine_diff_density_min -0.514
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.055
_refine_ls_hydrogen_treatment constr
_refine_ls_matrix_type full
_refine_ls_number_parameters 325
_refine_ls_number_reflns 4816
_refine_ls_number_restraints 0
_refine_ls_restrained_S_all 1.055
_refine_ls_R_factor_all 0.0418
_refine_ls_R_factor_gt 0.0387
_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^)+(0.0894P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.1114
_refine_ls_wR_factor_ref 0.1135
_reflns_number_gt 4280
_reflns_number_total 4816
_reflns_threshold_expression 'I > 2\s(I)'
_iucr_refine_instructions_details
;
#
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared), status flag
#
#data_6027R
_shelx_title ' sxrd20082101_a.res in P2(1)/n'
_shelx_refln_list_code 4
_shelx_F_calc_maximum 304.26
_exptl_crystal_F_000 1240.00
_reflns_d_resolution_high 0.8462
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
_cell_length_a 10.6249
_cell_length_b 15.5774
_cell_length_c 17.0925
_cell_angle_alpha 90.000
_cell_angle_beta 96.707
_cell_angle_gamma 90.000
_shelx_F_squared_multiplier 1.000
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
2 0 0 5919.24 5436.47 17.22 o
4 0 0 1160.75 1108.18 11.39 o
6 0 0 83.78 50.91 6.87 o
8 0 0 1590.18 1635.51 27.38 o
10 0 0 1885.58 1860.77 33.31 o
12 0 0 282.67 288.97 12.70 o
1 1 0 8349.86 9072.20 16.56 o
2 1 0 310.70 304.12 4.80 o
3 1 0 9348.03 9232.17 28.89 o
4 1 0 3188.77 3042.54 18.73 o
5 1 0 895.78 753.53 14.30 o
6 1 0 420.88 239.01 10.35 o
7 1 0 54.74 57.12 7.81 o
8 1 0 56.19 57.59 8.94 o
9 1 0 1535.27 1528.70 29.73 o
10 1 0 4.27 8.85 10.26 o
11 1 0 365.20 379.02 16.47 o
12 1 0 25.76 32.93 8.28 o
0 2 0 8979.54 9278.37 19.76 o
1 2 0 1699.08 1847.41 11.29 o
2 2 0 160.92 166.36 5.08 o
3 2 0 14274.58 15107.60 31.52 o
4 2 0 6474.55 6002.09 33.31 o
5 2 0 740.48 650.97 12.23 o
6 2 0 1822.83 1694.32 23.52 o
7 2 0 30.72 30.39 7.34 o
8 2 0 2690.03 2661.26 35.57 o
9 2 0 5255.90 5268.98 52.41 o
10 2 0 1318.84 1291.20 27.95 o
11 2 0 122.22 120.07 12.04 o
12 2 0 722.00 738.57 17.50 o
1 3 0 1347.14 1316.52 11.10 o
2 3 0 1313.04 1342.58 12.80 o
3 3 0 2596.18 2438.63 19.48 o
4 3 0 5829.05 4964.57 31.62 o
5 3 0 4550.51 3954.72 30.30 o
6 3 0 2944.39 2871.94 30.11 o
7 3 0 133.73 104.35 9.50 o
8 3 0 861.97 811.87 20.80 o
9 3 0 78.52 61.92 10.82 o
10 3 0 1143.38 1217.62 26.63 o
11 3 0 2086.91 2067.04 31.99 o
12 3 0 867.04 886.58 18.63 o
0 4 0 15301.68 15921.64 35.10 o
1 4 0 19.67 23.71 3.58 o
2 4 0 893.47 831.91 11.20 o
3 4 0 5515.58 5061.96 29.73 o
4 4 0 3998.27 3852.34 29.45 o
5 4 0 2957.25 2564.25 27.01 o
6 4 0 392.22 397.37 13.17 o
7 4 0 387.00 399.82 14.59 o
8 4 0 5020.71 4862.76 48.37 o
9 4 0 105.39 115.46 12.04 o
10 4 0 275.91 239.10 14.59 o
11 4 0 219.72 253.12 14.02 o
12 4 0 77.90 76.50 8.56 o
1 5 0 1755.79 1925.23 16.18 o
2 5 0 69.13 178.22 6.40 o
3 5 0 3106.41 3057.60 24.94 o
4 5 0 10196.17 8778.24 46.86 o
5 5 0 1902.59 1725.74 23.43 o
6 5 0 72.31 69.73 8.75 o
7 5 0 3660.55 3432.10 39.05 o
8 5 0 970.30 876.89 22.40 o
9 5 0 23.61 23.90 10.44 o
10 5 0 17.10 26.63 9.41 o
11 5 0 57.77 58.34 9.69 o
0 6 0 554.13 612.86 9.22 o
1 6 0 287.17 201.84 6.87 o
2 6 0 6864.55 7291.60 36.23 o
3 6 0 15.96 31.24 5.46 o
4 6 0 834.35 778.56 16.09 o
5 6 0 2650.60 2311.69 28.14 o
6 6 0 9.87 8.94 7.90 o
7 6 0 2359.09 2207.99 32.93 o
8 6 0 6129.99 5923.61 55.05 o
9 6 0 119.46 122.23 12.42 o
10 6 0 728.53 678.07 19.95 o
11 6 0 610.22 607.59 17.13 o
1 7 0 21.23 11.57 4.52 o
2 7 0 1419.42 1525.41 18.44 o
3 7 0 48.53 55.99 7.06 o
4 7 0 10515.62 9740.86 55.42 o
5 7 0 3489.69 3357.67 35.47 o
6 7 0 1215.40 1185.81 23.90 o
7 7 0 2439.00 2360.05 34.82 o
8 7 0 364.20 357.57 16.56 o
9 7 0 2067.86 2013.96 33.31 o
10 7 0 8.47 10.73 8.47 o
11 7 0 298.23 283.99 12.33 o
0 8 0 327.84 301.68 9.22 o
1 8 0 3504.01 3647.21 28.23 o
2 8 0 3199.27 3195.17 29.73 o
3 8 0 311.94 287.18 11.10 o
4 8 0 144.71 135.88 9.60 o
5 8 0 41.35 38.58 8.66 o
6 8 0 91.65 116.68 10.92 o
7 8 0 11.80 12.89 9.50 o
8 8 0 94.03 104.35 11.95 o
9 8 0 1262.11 1120.70 25.50 o
10 8 0 790.67 739.13 19.57 o
11 8 0 36.45 53.26 7.62 o
1 9 0 62.04 57.40 7.06 o
2 9 0 105.14 103.32 7.34 o
3 9 0 2720.36 2733.81 31.52 o
4 9 0 544.23 510.85 15.90 o
5 9 0 67.37 59.66 9.22 o
6 9 0 2294.29 2229.64 33.78 o
7 9 0 12.00 7.72 8.66 o
8 9 0 98.38 114.89 12.42 o
9 9 0 26.36 22.77 8.85 o
10 9 0 780.51 768.59 19.01 o
0 10 0 5364.10 5174.79 40.18 o
1 10 0 66.37 56.18 7.81 o
2 10 0 927.75 912.74 19.20 o
3 10 0 77.87 61.92 8.56 o
4 10 0 2414.67 2347.73 32.56 o
5 10 0 299.09 290.95 14.49 o
6 10 0 11.45 11.20 8.94 o
7 10 0 687.84 717.96 21.64 o
8 10 0 9.58 18.91 10.44 o
9 10 0 26.91 34.53 8.94 o
10 10 0 125.78 112.63 9.32 o
1 11 0 7185.14 6861.57 50.91 o
2 11 0 778.71 821.75 19.67 o
3 11 0 974.77 925.73 20.89 o
4 11 0 203.39 206.83 13.46 o
5 11 0 47.35 58.25 10.16 o
6 11 0 31.72 33.88 9.97 o
7 11 0 0.95 0.38 9.13 o
8 11 0 108.34 106.80 11.20 o
9 11 0 594.64 593.38 16.94 o
0 12 0 349.43 369.80 15.15 o
1 12 0 694.99 686.16 18.91 o
2 12 0 301.61 296.88 14.11 o
3 12 0 1081.64 1096.14 24.28 o
4 12 0 182.20 158.46 12.51 o
5 12 0 1483.55 1391.79 27.66 o
6 12 0 133.07 134.28 12.51 o
7 12 0 485.57 434.26 16.84 o
8 12 0 636.05 572.86 17.60 o
9 12 0 8.48 6.68 6.87 o
1 13 0 898.48 803.50 20.98 o
2 13 0 1830.54 1892.96 31.05 o
3 13 0 180.67 200.99 13.27 o
4 13 0 1241.86 1301.27 27.01 o
5 13 0 1069.91 997.53 24.18 o
6 13 0 541.10 470.77 17.13 o
7 13 0 222.40 226.68 12.70 o
8 13 0 238.61 246.72 11.95 o
0 14 0 843.80 732.74 20.80 o
1 14 0 9.01 13.17 9.69 o
2 14 0 116.85 144.53 12.14 o
3 14 0 453.22 441.41 16.75 o
4 14 0 1858.62 1904.53 31.33 o
5 14 0 966.15 950.10 22.58 o
6 14 0 27.97 29.36 8.75 o
7 14 0 19.71 18.82 7.62 o
8 14 0 968.90 1041.56 18.54 o
1 15 0 497.87 526.38 18.63 o
2 15 0 668.58 669.78 19.85 o
3 15 0 502.38 508.31 16.94 o
4 15 0 209.63 257.26 13.27 o
5 15 0 61.22 83.93 9.69 o
6 15 0 55.39 62.29 8.75 o
7 15 0 498.28 484.98 13.64 o
0 16 0 115.76 138.23 11.29 o
1 16 0 2594.57 2593.23 35.10 o
2 16 0 211.42 217.93 12.70 o
3 16 0 0.78 11.67 8.37 o
4 16 0 2.17 3.20 7.25 o
5 16 0 294.88 269.12 11.20 o
6 16 0 63.56 51.94 7.43 o
1 17 0 17.62 4.52 7.90 o
2 17 0 1106.47 1090.96 21.64 o
3 17 0 820.00 852.62 18.54 o
4 17 0 592.31 527.13 14.11 o
0 18 0 176.89 162.41 9.60 o
1 18 0 203.48 212.47 10.54 o
2 18 0 163.48 150.37 9.03 o
-11 0 1 2167.19 2140.90 33.31 o
-9 0 1 12857.79 12419.24 78.95 o
-7 0 1 221.93 241.83 11.48 o
-5 0 1 238.39 325.67 10.16 o
-3 0 1 118.64 112.73 4.42 o
-1 0 1 16891.01 15971.04 25.12 o
1 0 1 57263.54 49083.96 43.94 o
3 0 1 756.91 644.10 7.72 o
5 0 1 3202.67 3146.24 27.38 o
7 0 1 1198.13 954.52 19.57 o
9 0 1 2065.12 1833.49 33.03 o
11 0 1 561.20 560.07 18.73 o
-12 1 1 37.59 42.91 8.56 o
-11 1 1 155.50 137.01 12.33 o
-10 1 1 238.38 248.61 14.68 o
-9 1 1 192.00 211.72 14.40 o
-8 1 1 2857.52 2647.90 34.53 o
-7 1 1 462.59 398.97 13.55 o
-6 1 1 3549.40 2984.20 30.39 o
-5 1 1 3060.31 2548.81 25.03 o
-4 1 1 3787.73 3815.27 22.87 o
-3 1 1 4976.46 4704.02 22.02 o
-2 1 1 3842.55 3641.38 16.37 o
-1 1 1 3251.44 3331.99 12.23 o
0 1 1 38638.66 40647.11 37.73 o
1 1 1 13863.12 15808.25 18.54 o
2 1 1 213.45 216.14 5.18 o
3 1 1 2268.24 2264.83 11.57 o
4 1 1 2038.04 1710.03 17.78 o
5 1 1 1102.95 1194.66 17.41 o
6 1 1 1496.85 1360.08 20.89 o
7 1 1 615.59 572.02 15.43 o
8 1 1 987.84 1021.24 22.96 o
9 1 1 227.03 242.96 15.15 o
10 1 1 3.57 9.79 10.54 o
11 1 1 158.05 176.53 12.51 o
12 1 1 29.74 27.29 8.19 o
-12 2 1 974.53 986.23 20.14 o
-11 2 1 802.11 764.73 20.98 o
-10 2 1 109.16 119.88 12.04 o
-9 2 1 540.88 527.42 18.91 o
-8 2 1 940.23 860.43 21.17 o
-7 2 1 210.98 179.16 10.44 o
-6 2 1 85.49 121.20 8.00 o
-5 2 1 5077.10 4647.37 31.62 o
-4 2 1 1346.73 1256.67 13.36 o
-3 2 1 9325.12 9700.49 30.96 o
-2 2 1 5032.57 4765.93 20.23 o
-1 2 1 772.20 1017.94 8.19 o
0 2 1 2268.45 2572.62 11.57 o
1 2 1 8596.95 8970.58 24.84 o
2 2 1 792.01 718.53 9.03 o
3 2 1 39.65 32.84 3.86 o
4 2 1 2426.95 1851.55 18.73 o
5 2 1 1605.16 1319.15 18.82 o
6 2 1 268.20 229.88 9.97 o
7 2 1 39.54 40.56 7.90 o
8 2 1 1019.32 950.29 22.40 o
9 2 1 6.42 8.09 10.63 o
10 2 1 30.54 35.47 10.73 o
11 2 1 1546.70 1488.81 27.85 o
12 2 1 70.85 84.88 9.03 o
-12 3 1 32.25 39.71 8.00 o
-11 3 1 150.29 162.60 11.95 o
-10 3 1 9.37 13.08 9.50 o
-9 3 1 6905.34 7035.47 59.85 o
-8 3 1 716.24 731.51 20.04 o
-7 3 1 59.88 42.81 8.56 o
-6 3 1 68.78 85.16 7.34 o
-5 3 1 20.17 27.76 5.27 o
-4 3 1 1281.54 1248.01 16.09 o
-3 3 1 5786.28 5789.34 29.83 o
-2 3 1 13529.29 13453.00 39.52 o
-1 3 1 711.56 652.66 7.72 o
0 3 1 861.55 933.35 8.66 o
1 3 1 2227.96 2468.83 15.15 o
2 3 1 1242.58 1272.01 12.70 o
3 3 1 2110.29 1660.82 16.37 o
4 3 1 21.68 16.94 5.36 o
5 3 1 718.45 510.95 12.70 o
6 3 1 2042.95 1905.75 25.41 o
7 3 1 103.02 101.63 9.13 o
8 3 1 2144.61 2001.26 31.24 o
9 3 1 269.37 272.60 14.96 o
10 3 1 480.32 478.39 18.91 o
11 3 1 462.67 473.40 16.84 o
12 3 1 1050.29 1062.55 19.76 o
-12 4 1 382.31 387.68 12.99 o
-11 4 1 613.26 664.42 19.20 o
-10 4 1 1490.50 1594.29 29.83 o
-9 4 1 67.85 65.02 11.10 o
-8 4 1 27.78 26.25 9.13 o
-7 4 1 128.57 100.12 9.41 o
-6 4 1 211.40 229.60 10.73 o
-5 4 1 1650.75 1671.36 21.64 o
-4 4 1 13576.08 12140.71 51.75 o
-3 4 1 1570.74 1565.40 17.03 o
-2 4 1 2669.38 2350.83 18.07 o
-1 4 1 1625.29 1829.53 13.46 o
0 4 1 2221.47 2080.30 13.55 o
1 4 1 1530.41 1495.77 12.42 o
2 4 1 1061.03 1270.31 12.33 o
3 4 1 219.49 250.30 7.72 o
4 4 1 3290.79 3180.96 26.91 o
5 4 1 1432.56 1268.43 19.38 o
6 4 1 2070.78 1897.38 26.06 o
7 4 1 2067.18 1930.31 28.61 o
8 4 1 0.46 4.23 8.19 o
9 4 1 4195.21 4166.91 47.43 o
10 4 1 144.49 154.70 13.46 o
11 4 1 243.43 229.50 13.55 o
12 4 1 780.66 737.53 16.28 o
-12 5 1 70.21 55.89 7.34 o
-11 5 1 180.01 163.73 11.48 o
-10 5 1 451.93 438.78 17.03 o
-9 5 1 145.63 161.66 12.99 o
-8 5 1 925.30 919.14 22.96 o
-7 5 1 475.52 406.22 15.15 o
-6 5 1 365.16 356.72 12.61 o
-5 5 1 85.76 97.39 7.81 o
-4 5 1 2829.97 2596.80 26.06 o
-3 5 1 2420.97 2244.03 21.64 o
-2 5 1 581.96 574.28 9.03 o
-1 5 1 238.56 213.88 6.49 o
0 5 1 36.64 50.34 3.86 o
1 5 1 894.12 949.07 11.20 o
2 5 1 5.26 11.86 3.58 o
3 5 1 248.08 293.77 9.13 o
4 5 1 190.28 169.09 8.28 o
5 5 1 237.15 261.59 10.73 o
6 5 1 0.42 8.09 7.15 o
7 5 1 473.90 550.85 17.22 o
8 5 1 242.56 256.51 14.49 o
9 5 1 484.53 502.01 18.73 o
10 5 1 8.47 10.07 8.94 o
11 5 1 64.65 76.60 10.35 o
-11 6 1 36.95 39.71 8.28 o
-10 6 1 16.19 11.39 8.75 o
-9 6 1 1007.91 1046.46 25.03 o
-8 6 1 1325.74 1307.76 27.38 o
-7 6 1 473.16 438.49 16.28 o
-6 6 1 3382.09 3213.05 35.95 o
-5 6 1 4549.92 4181.12 37.54 o
-4 6 1 2902.36 2763.83 28.23 o
-3 6 1 30.14 53.35 6.02 o
-2 6 1 210.63 164.67 6.87 o
-1 6 1 21405.36 21868.02 59.66 o
0 6 1 3.62 7.53 3.39 o
1 6 1 6696.94 7274.57 33.12 o
2 6 1 3297.55 2894.43 24.56 o
3 6 1 73.95 98.05 7.15 o
4 6 1 1927.78 1693.28 22.58 o
5 6 1 2378.77 2087.74 27.10 o
6 6 1 209.92 172.01 10.63 o
7 6 1 224.05 215.20 12.99 o
8 6 1 752.76 715.33 21.17 o
9 6 1 2666.84 2733.71 38.58 o
10 6 1 919.01 956.40 23.34 o
11 6 1 76.32 87.79 9.60 o
-11 7 1 27.13 21.92 7.72 o
-10 7 1 59.04 55.42 9.69 o
-9 7 1 261.02 245.03 14.59 o
-8 7 1 1241.66 1331.76 27.76 o
-7 7 1 38.42 47.05 10.07 o
-6 7 1 50.42 53.07 9.22 o
-5 7 1 3363.46 3500.04 36.23 o
-4 7 1 660.25 635.16 15.62 o
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1 1 9 1099.19 1180.17 18.44 o
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5 3 9 324.17 298.95 14.02 o
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10 3 9 176.64 194.40 11.39 o
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10 4 9 223.26 239.67 11.67 o
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2 5 9 63.30 32.28 7.25 o
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0 6 9 395.78 424.19 14.11 o
1 6 9 359.64 419.20 14.11 o
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1 7 9 36.27 45.54 8.09 o
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5 7 9 7.78 3.11 9.50 o
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2 10 9 0.73 2.45 9.03 o
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1 14 9 255.96 269.40 13.93 o
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1 15 9 22.87 19.48 8.37 o
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1 1 10 53.38 53.16 7.34 o
2 1 10 199.76 212.00 10.54 o
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5 1 10 25.59 34.63 8.94 o
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2 2 10 132.00 140.39 9.69 o
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1 3 10 4324.03 4538.22 40.09 o
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1 5 10 573.35 525.53 15.71 o
2 5 10 33.02 33.40 8.00 o
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1 6 10 133.16 123.27 10.26 o
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5 6 10 267.15 272.98 15.06 o
6 6 10 296.98 296.59 16.09 o
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1 7 10 1511.77 1556.84 27.57 o
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5 7 10 3.65 3.76 8.85 o
6 7 10 278.17 263.19 15.15 o
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1 8 10 1.50 2.16 8.75 o
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5 8 10 24.95 19.20 10.16 o
6 8 10 60.46 47.33 11.39 o
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1 9 10 253.72 202.59 13.36 o
2 9 10 76.65 84.03 11.76 o
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6 9 10 489.01 541.34 18.07 o
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1 14 10 206.36 222.63 12.80 o
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1 1 11 3809.47 4297.05 40.56 o
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1 2 11 2575.65 2739.08 33.22 o
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1 3 11 3.76 2.35 7.25 o
2 3 11 72.90 73.77 9.22 o
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6 3 11 274.02 286.43 16.00 o
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0 4 11 347.25 389.19 14.59 o
1 4 11 2166.75 2191.34 31.15 o
2 4 11 753.39 725.87 19.10 o
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5 4 11 214.52 219.81 13.46 o
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7 4 11 147.32 149.80 13.55 o
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0 5 11 15.72 18.54 8.66 o
1 5 11 9.13 14.02 8.28 o
2 5 11 459.09 506.71 17.97 o
3 5 11 10.76 6.30 9.60 o
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0 6 11 14.69 12.42 8.09 o
1 6 11 11.45 12.33 8.85 o
2 6 11 511.99 550.19 18.16 o
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5 6 11 31.60 16.28 10.82 o
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0 7 11 15.08 16.37 8.85 o
1 7 11 336.51 325.29 15.43 o
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5 7 11 331.50 350.14 16.94 o
6 7 11 322.71 301.68 15.43 o
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0 8 11 52.90 58.90 10.35 o
1 8 11 1760.32 1621.86 29.55 o
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0 9 11 246.69 258.11 14.68 o
1 9 11 1863.82 1813.16 31.80 o
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1 10 11 743.21 736.12 21.74 o
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1 11 11 442.05 453.55 17.88 o
2 11 11 370.35 387.40 16.94 o
3 11 11 44.61 54.67 9.97 o
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0 12 11 450.36 446.96 16.75 o
1 12 11 53.47 73.30 10.73 o
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-2 13 11 28.23 28.70 8.56 o
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0 13 11 11.89 8.66 8.37 o
1 13 11 131.13 137.85 11.57 o
2 13 11 45.86 55.99 9.79 o
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0 14 11 2.37 2.07 8.00 o
1 14 11 122.08 124.68 10.16 o
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0 15 11 59.99 62.86 7.90 o
1 15 11 72.33 72.83 7.81 o
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0 1 12 947.38 1033.09 22.02 o
1 1 12 1107.71 1206.89 23.99 o
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3 1 12 1655.31 1679.17 29.55 o
4 1 12 27.86 51.00 11.01 o
5 1 12 321.97 307.13 16.28 o
6 1 12 976.32 1025.85 24.56 o
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-1 2 12 0.38 6.30 7.43 o
0 2 12 62.61 78.38 9.97 o
1 2 12 646.75 705.45 19.20 o
2 2 12 3.67 4.42 7.62 o
3 2 12 640.65 686.63 20.89 o
4 2 12 2037.50 2139.11 34.44 o
5 2 12 992.79 1121.83 26.25 o
6 2 12 378.15 390.22 17.13 o
7 2 12 383.59 448.56 17.50 o
8 2 12 11.65 16.00 8.94 o
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-1 3 12 1559.80 1670.70 27.76 o
0 3 12 763.53 837.56 20.80 o
1 3 12 3.05 9.50 8.28 o
2 3 12 8.50 10.26 9.03 o
3 3 12 2940.36 3142.76 40.56 o
4 3 12 6.72 6.40 10.16 o
5 3 12 39.51 55.89 11.57 o
6 3 12 49.32 71.04 11.95 o
7 3 12 3.19 5.36 9.88 o
8 3 12 260.92 271.75 13.55 o
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1 4 12 489.42 559.31 18.63 o
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8 4 12 39.70 23.43 8.85 o
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1 5 12 154.54 157.99 12.33 o
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0 6 12 159.27 156.48 12.42 o
1 6 12 357.49 382.03 16.84 o
2 6 12 45.83 42.25 10.73 o
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1 7 12 6.01 12.89 8.56 o
2 7 12 3215.75 3211.92 41.97 o
3 7 12 814.71 860.52 22.96 o
4 7 12 1.45 3.11 9.97 o
5 7 12 192.50 222.26 17.31 o
6 7 12 520.55 549.81 18.73 o
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1 8 12 192.70 222.26 14.21 o
2 8 12 949.14 1004.68 24.75 o
3 8 12 710.91 690.30 21.64 o
4 8 12 238.84 252.46 15.34 o
5 8 12 430.96 453.17 17.88 o
6 8 12 25.53 24.09 10.16 o
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-1 9 12 1415.62 1393.11 28.14 o
0 9 12 1565.29 1425.29 28.70 o
1 9 12 527.92 537.20 19.48 o
2 9 12 1.42 5.08 9.60 o
3 9 12 253.81 296.41 16.37 o
4 9 12 26.77 37.45 10.35 o
5 9 12 11.22 10.07 8.66 o
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-8 10 12 2.07 6.96 5.93 o
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1 3 15 492.51 510.29 20.23 o
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1 4 15 527.88 526.85 20.33 o
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6 4 15 640.36 648.14 18.73 o
-8 5 15 23.48 34.25 6.68 o
-7 5 15 300.74 279.47 12.51 o
-6 5 15 3.82 3.01 8.00 o
-5 5 15 1272.77 1212.35 25.31 o
-4 5 15 5.82 10.92 8.28 o
-3 5 15 1112.44 1035.07 24.47 o
-2 5 15 4.20 2.35 8.09 o
-1 5 15 226.92 262.63 14.96 o
0 5 15 831.36 793.15 22.40 o
1 5 15 400.75 409.04 17.78 o
2 5 15 1.04 8.56 11.10 o
3 5 15 52.91 61.82 13.08 o
4 5 15 1078.60 1028.11 23.90 o
5 5 15 45.86 47.05 10.26 o
6 5 15 60.01 68.69 10.26 o
-8 6 15 152.96 169.47 8.94 o
-7 6 15 485.82 496.46 14.77 o
-6 6 15 549.49 520.92 16.75 o
-5 6 15 29.80 25.69 8.47 o
-4 6 15 13.02 12.04 7.90 o
-3 6 15 668.37 650.78 19.85 o
-2 6 15 2345.11 2242.81 34.44 o
-1 6 15 286.24 276.83 14.49 o
0 6 15 159.96 146.23 13.27 o
1 6 15 182.47 185.18 13.74 o
2 6 15 18.46 15.34 9.03 o
3 6 15 15.78 10.26 10.82 o
4 6 15 192.43 219.72 14.02 o
5 6 15 16.34 31.52 9.50 o
6 6 15 131.80 116.02 10.16 o
-7 7 15 450.22 419.30 13.08 o
-6 7 15 234.34 231.01 12.04 o
-5 7 15 51.48 72.74 9.79 o
-4 7 15 7.33 11.57 8.47 o
-3 7 15 1762.11 1749.65 30.30 o
-2 7 15 412.71 392.01 16.18 o
-1 7 15 767.35 732.27 20.89 o
0 7 15 75.43 73.11 11.29 o
1 7 15 731.09 689.64 20.23 o
2 7 15 73.62 71.98 10.73 o
3 7 15 180.03 184.43 13.64 o
4 7 15 58.43 62.67 10.35 o
5 7 15 114.96 131.27 10.82 o
-7 8 15 1.41 5.08 6.12 o
-6 8 15 92.98 105.01 9.41 o
-5 8 15 11.56 7.62 8.00 o
-4 8 15 26.46 27.01 8.56 o
-3 8 15 8.62 5.83 8.19 o
-2 8 15 38.55 42.25 9.69 o
-1 8 15 472.67 493.45 17.13 o
0 8 15 241.92 233.83 13.55 o
1 8 15 137.83 138.23 11.95 o
2 8 15 172.87 177.75 12.33 o
3 8 15 5.27 12.04 10.26 o
4 8 15 59.34 54.48 9.41 o
5 8 15 10.58 16.66 9.79 o
-6 9 15 594.11 588.20 14.87 o
-5 9 15 75.26 81.58 9.03 o
-4 9 15 21.85 22.68 8.28 o
-3 9 15 448.07 462.86 16.09 o
-2 9 15 287.15 306.00 14.02 o
-1 9 15 28.08 27.66 8.66 o
0 9 15 158.10 172.39 12.04 o
1 9 15 248.04 250.68 13.08 o
2 9 15 78.93 84.59 10.44 o
3 9 15 812.54 831.54 19.29 o
4 9 15 340.84 342.80 13.08 o
-5 10 15 364.52 376.77 12.51 o
-4 10 15 240.29 231.67 11.39 o
-3 10 15 142.61 154.88 10.63 o
-2 10 15 0.32 5.36 8.00 o
-1 10 15 712.09 794.56 19.29 o
0 10 15 54.34 62.20 9.50 o
1 10 15 270.69 256.51 12.61 o
2 10 15 137.86 148.86 10.07 o
3 10 15 371.01 345.24 12.51 o
-4 11 15 1031.36 1024.72 18.73 o
-3 11 15 32.39 45.17 7.62 o
-2 11 15 89.72 93.91 9.32 o
-1 11 15 6.61 5.65 7.62 o
0 11 15 23.74 31.71 8.00 o
1 11 15 194.79 201.46 10.63 o
2 11 15 1675.79 1609.72 23.05 o
-2 12 15 79.67 88.64 7.81 o
-1 12 15 1011.66 929.30 17.69 o
0 12 15 1.45 1.69 6.21 o
-8 0 16 660.21 605.14 14.68 o
-6 0 16 3447.40 3245.89 38.86 o
-4 0 16 6454.41 5900.28 54.20 o
-2 0 16 1238.13 1170.19 25.78 o
0 0 16 273.29 246.82 15.71 o
2 0 16 977.63 982.56 25.22 o
4 0 16 9.06 2.35 9.79 o
6 0 16 580.46 587.45 17.03 o
-8 1 16 517.06 481.12 13.17 o
-7 1 16 200.01 195.25 11.48 o
-6 1 16 2.15 2.35 7.90 o
-5 1 16 39.90 46.11 9.79 o
-4 1 16 35.89 35.66 9.50 o
-3 1 16 1376.45 1298.45 26.91 o
-2 1 16 495.61 449.60 17.60 o
-1 1 16 203.08 186.59 13.74 o
0 1 16 220.46 244.56 15.90 o
1 1 16 112.02 112.16 13.46 o
2 1 16 288.82 316.17 16.47 o
3 1 16 445.24 418.07 17.03 o
4 1 16 31.57 38.86 10.82 o
5 1 16 16.00 13.17 11.20 o
6 1 16 435.33 448.28 15.15 o
-8 2 16 0.92 -2.07 6.02 o
-7 2 16 240.26 215.58 11.67 o
-6 2 16 132.65 124.11 11.10 o
-5 2 16 506.05 447.34 16.56 o
-4 2 16 135.15 128.91 11.29 o
-3 2 16 19.35 18.54 9.50 o
-2 2 16 402.92 408.95 16.94 o
-1 2 16 203.21 173.04 13.17 o
0 2 16 1305.81 1301.65 28.61 o
1 2 16 17.80 20.61 10.63 o
2 2 16 257.13 299.04 15.24 o
3 2 16 918.21 883.86 23.62 o
4 2 16 453.89 425.23 17.78 o
5 2 16 1043.46 1192.40 24.56 o
6 2 16 581.27 623.77 17.41 o
-8 3 16 511.75 457.41 12.61 o
-7 3 16 90.61 102.66 9.60 o
-6 3 16 675.89 673.45 18.63 o
-5 3 16 2.82 4.05 8.66 o
-4 3 16 227.91 247.38 14.21 o
-3 3 16 164.43 165.23 12.89 o
-2 3 16 18.30 16.75 9.60 o
-1 3 16 93.28 97.11 12.23 o
0 3 16 1555.14 1568.23 30.58 o
1 3 16 41.38 46.67 11.39 o
2 3 16 55.72 60.98 11.20 o
3 3 16 20.76 17.50 11.01 o
4 3 16 126.82 140.30 12.99 o
5 3 16 375.03 413.56 16.00 o
6 3 16 1020.62 1082.87 20.42 o
-8 4 16 240.43 243.52 9.88 o
-7 4 16 198.16 191.58 10.73 o
-6 4 16 70.05 66.43 9.32 o
-5 4 16 382.05 361.24 14.68 o
-4 4 16 397.88 391.63 15.81 o
-3 4 16 495.15 446.02 17.31 o
-2 4 16 2.39 7.53 8.66 o
-1 4 16 89.63 74.34 11.29 o
0 4 16 837.81 725.30 21.55 o
1 4 16 767.53 750.43 21.45 o
2 4 16 732.45 661.88 20.33 o
3 4 16 118.59 118.94 12.33 o
4 4 16 398.57 450.26 17.13 o
5 4 16 50.44 43.19 10.16 o
-7 5 16 131.36 141.05 9.32 o
-6 5 16 1085.97 1059.82 21.83 o
-5 5 16 18.05 19.76 8.47 o
-4 5 16 7.63 10.35 8.85 o
-3 5 16 35.51 38.96 9.60 o
-2 5 16 1667.60 1583.28 28.98 o
-1 5 16 74.66 71.51 10.73 o
0 5 16 151.85 141.90 11.39 o
1 5 16 146.44 130.70 12.80 o
2 5 16 2.46 4.05 10.35 o
3 5 16 556.81 527.04 18.35 o
4 5 16 217.69 208.33 12.61 o
5 5 16 0.63 5.74 8.47 o
-7 6 16 1.61 -6.02 6.02 o
-6 6 16 21.73 18.44 7.43 o
-5 6 16 977.13 1001.01 21.64 o
-4 6 16 10.74 13.17 8.09 o
-3 6 16 968.31 909.45 21.92 o
-2 6 16 974.12 918.95 21.92 o
-1 6 16 1809.74 1632.12 27.95 o
0 6 16 275.87 264.51 13.93 o
1 6 16 121.69 103.60 11.57 o
2 6 16 394.26 385.23 16.47 o
3 6 16 573.95 635.16 19.10 o
4 6 16 19.68 5.55 8.75 o
5 6 16 5.80 9.79 8.37 o
-7 7 16 19.03 22.49 6.49 o
-6 7 16 8.77 14.77 6.96 o
-5 7 16 3.94 3.58 7.34 o
-4 7 16 28.52 24.28 8.28 o
-3 7 16 95.66 98.43 10.26 o
-2 7 16 1305.43 1290.83 25.12 o
-1 7 16 286.71 298.10 14.02 o
0 7 16 557.35 555.93 17.60 o
1 7 16 1082.36 1092.85 23.05 o
2 7 16 16.58 28.70 9.60 o
3 7 16 19.88 22.49 9.32 o
4 7 16 208.70 220.85 11.48 o
-6 8 16 344.97 358.04 11.76 o
-5 8 16 42.36 54.48 7.90 o
-4 8 16 38.43 36.60 8.47 o
-3 8 16 3.92 2.35 7.53 o
-2 8 16 547.10 566.47 17.22 o
-1 8 16 450.69 431.25 15.43 o
0 8 16 4.97 14.21 8.56 o
1 8 16 195.67 170.88 11.48 o
2 8 16 53.41 50.81 9.32 o
3 8 16 493.03 485.26 15.24 o
4 8 16 127.53 146.23 10.82 o
-5 9 16 147.14 155.64 9.32 o
-4 9 16 1.17 -1.04 6.59 o
-3 9 16 68.84 68.79 8.19 o
-2 9 16 40.24 53.07 8.85 o
-1 9 16 922.93 974.00 20.61 o
0 9 16 137.67 131.74 10.54 o
1 9 16 4.51 1.41 7.43 o
2 9 16 1175.70 1098.02 19.95 o
3 9 16 26.99 35.38 7.25 o
-4 10 16 1148.71 1182.05 19.57 o
-3 10 16 62.61 60.03 7.72 o
-2 10 16 773.06 775.36 17.13 o
-1 10 16 0.56 0.94 6.87 o
0 10 16 141.67 147.73 9.79 o
1 10 16 58.25 73.58 8.19 o
2 10 16 13.34 9.50 7.06 o
-2 11 16 15.68 19.48 6.12 o
-1 11 16 176.05 177.37 9.32 o
0 11 16 150.03 137.85 8.85 o
-7 0 17 139.61 124.87 9.32 o
-5 0 17 487.90 515.28 17.03 o
-3 0 17 1518.38 1507.53 27.57 o
-1 0 17 539.28 548.59 17.88 o
1 0 17 660.15 620.67 19.67 o
3 0 17 118.04 91.65 11.57 o
5 0 17 418.64 457.12 17.41 o
-7 1 17 144.62 159.40 9.97 o
-6 1 17 625.11 595.92 16.84 o
-5 1 17 21.48 16.09 8.00 o
-4 1 17 571.31 573.05 17.88 o
-3 1 17 485.18 420.90 15.90 o
-2 1 17 816.45 827.12 20.98 o
-1 1 17 69.98 73.68 10.63 o
0 1 17 25.14 31.99 10.73 o
1 1 17 31.28 31.99 10.54 o
2 1 17 291.36 261.31 15.06 o
3 1 17 357.42 360.67 15.90 o
4 1 17 370.24 359.73 16.18 o
5 1 17 197.06 210.40 13.08 o
-7 2 17 353.20 337.06 12.23 o
-6 2 17 59.68 65.77 9.03 o
-5 2 17 76.60 84.03 9.79 o
-4 2 17 1003.17 998.94 22.58 o
-3 2 17 60.40 57.96 9.13 o
-2 2 17 614.79 631.58 18.91 o
-1 2 17 605.93 581.24 18.25 o
0 2 17 314.40 298.95 15.15 o
1 2 17 2.12 7.06 10.35 o
2 2 17 174.70 157.42 13.08 o
3 2 17 10.95 14.59 10.07 o
4 2 17 727.95 842.26 21.27 o
5 2 17 6.70 4.52 8.28 o
-7 3 17 812.02 806.04 16.94 o
-6 3 17 35.50 30.77 7.53 o
-5 3 17 6.95 6.21 7.81 o
-4 3 17 577.68 529.39 17.03 o
-3 3 17 214.40 211.44 12.70 o
-2 3 17 731.65 713.73 19.48 o
-1 3 17 1.38 9.79 9.69 o
0 3 17 4.17 3.39 9.50 o
1 3 17 2578.84 2589.09 36.89 o
2 3 17 1178.74 1174.15 25.50 o
3 3 17 41.98 49.02 10.54 o
4 3 17 149.15 159.21 12.61 o
5 3 17 357.10 368.96 14.11 o
-7 4 17 36.72 30.96 6.59 o
-6 4 17 56.73 47.24 8.19 o
-5 4 17 697.17 712.60 18.35 o
-4 4 17 207.53 216.61 12.33 o
-3 4 17 934.57 885.64 21.27 o
-2 4 17 281.70 238.44 12.99 o
-1 4 17 7.88 6.30 8.56 o
0 4 17 2015.30 1992.89 31.62 o
1 4 17 477.82 457.22 17.60 o
2 4 17 90.83 72.17 11.10 o
3 4 17 19.39 8.09 9.79 o
4 4 17 69.37 76.50 10.07 o
-6 5 17 0.21 3.48 6.87 o
-5 5 17 1152.17 1135.94 21.55 o
-4 5 17 26.03 23.52 8.28 o
-3 5 17 259.77 238.82 12.89 o
-2 5 17 13.46 18.07 8.66 o
-1 5 17 695.87 657.83 18.54 o
0 5 17 89.15 83.65 10.82 o
1 5 17 50.33 58.53 10.73 o
2 5 17 4.10 1.88 8.56 o
3 5 17 18.39 15.53 8.94 o
4 5 17 82.70 86.48 10.35 o
-6 6 17 382.91 396.06 12.51 o
-5 6 17 145.12 150.27 9.88 o
-4 6 17 529.70 524.69 16.09 o
-3 6 17 601.81 551.32 16.66 o
-2 6 17 1257.84 1187.13 23.43 o
-1 6 17 35.78 36.60 8.75 o
0 6 17 224.56 211.81 11.86 o
1 6 17 209.40 202.50 12.14 o
2 6 17 276.13 271.85 13.83 o
3 6 17 66.24 58.34 9.22 o
4 6 17 51.55 69.54 9.79 o
-6 7 17 101.03 109.91 7.62 o
-5 7 17 135.08 149.14 9.41 o
-4 7 17 139.71 152.25 10.26 o
-3 7 17 12.40 8.19 7.43 o
-2 7 17 6.41 1.60 7.53 o
-1 7 17 70.77 69.63 9.03 o
0 7 17 42.61 34.25 8.37 o
1 7 17 715.37 630.17 16.56 o
2 7 17 520.78 531.56 16.00 o
3 7 17 373.12 352.11 12.80 o
-5 8 17 2.30 7.43 6.12 o
-4 8 17 166.30 185.56 9.69 o
-3 8 17 138.94 132.30 9.22 o
-2 8 17 47.38 49.87 8.28 o
-1 8 17 362.64 348.72 13.27 o
0 8 17 1790.15 1751.15 25.50 o
1 8 17 219.80 223.29 11.01 o
2 8 17 384.36 359.73 12.70 o
-4 9 17 3.20 4.61 5.36 o
-3 9 17 174.00 167.78 9.22 o
-2 9 17 0.99 -1.04 6.40 o
-1 9 17 0.27 -1.69 6.96 o
0 9 17 419.06 409.89 12.80 o
1 9 17 13.20 11.95 6.59 o
-6 0 18 199.36 206.36 10.35 o
-4 0 18 144.11 143.31 10.63 o
-2 0 18 357.97 325.76 14.21 o
0 0 18 1.93 5.46 9.50 o
2 0 18 26.22 10.07 9.03 o
4 0 18 2747.58 2862.44 32.93 o
-6 1 18 7.74 9.50 6.59 o
-5 1 18 307.56 286.34 12.51 o
-4 1 18 249.12 238.82 12.14 o
-3 1 18 153.40 145.19 11.10 o
-2 1 18 578.83 588.77 17.78 o
-1 1 18 69.95 74.34 10.35 o
0 1 18 0.07 0.28 9.32 o
1 1 18 365.00 369.52 15.90 o
2 1 18 26.42 23.05 9.22 o
3 1 18 107.58 106.71 11.10 o
4 1 18 235.73 238.25 12.33 o
-6 2 18 715.00 735.46 16.47 o
-5 2 18 697.64 690.20 17.31 o
-4 2 18 207.09 205.60 11.67 o
-3 2 18 1164.04 1120.60 22.30 o
-2 2 18 28.01 26.63 8.56 o
-1 2 18 89.19 83.46 10.44 o
0 2 18 89.96 94.66 10.73 o
1 2 18 181.47 195.06 13.17 o
2 2 18 209.89 235.62 13.17 o
3 2 18 13.78 17.13 8.66 o
4 2 18 23.45 25.97 8.37 o
-6 3 18 40.17 40.27 6.87 o
-5 3 18 324.48 283.61 11.67 o
-4 3 18 13.17 14.11 7.72 o
-3 3 18 185.41 185.75 11.39 o
-2 3 18 534.23 497.68 16.09 o
-1 3 18 475.31 434.92 16.18 o
0 3 18 1812.80 1775.15 28.98 o
1 3 18 2.72 2.35 9.32 o
2 3 18 718.14 680.32 18.35 o
3 3 18 415.93 412.71 14.59 o
-6 4 18 149.07 165.42 8.94 o
-5 4 18 6.59 3.39 6.68 o
-4 4 18 1402.63 1363.85 23.24 o
-3 4 18 8.90 12.80 7.90 o
-2 4 18 150.25 125.34 10.63 o
-1 4 18 3.15 5.08 8.94 o
0 4 18 446.35 412.05 16.00 o
1 4 18 2161.75 2042.01 29.64 o
2 4 18 1086.78 1020.86 20.61 o
3 4 18 89.28 88.92 10.07 o
-5 5 18 33.84 25.22 6.87 o
-4 5 18 223.56 229.13 11.10 o
-3 5 18 196.21 184.52 10.16 o
-2 5 18 427.60 414.31 14.40 o
-1 5 18 14.30 13.64 7.81 o
0 5 18 3.96 -0.47 8.28 o
1 5 18 0.02 -3.29 7.81 o
2 5 18 269.09 239.01 11.86 o
3 5 18 15.85 17.78 7.72 o
-5 6 18 229.54 236.00 10.26 o
-4 6 18 420.53 449.22 13.36 o
-3 6 18 84.81 96.07 8.47 o
-2 6 18 237.93 220.28 11.10 o
-1 6 18 291.81 276.55 11.86 o
0 6 18 178.05 167.30 10.73 o
1 6 18 115.62 114.70 9.22 o
2 6 18 34.03 39.24 7.43 o
-4 7 18 104.22 83.84 7.62 o
-3 7 18 783.03 844.62 17.13 o
-2 7 18 28.70 25.88 7.06 o
-1 7 18 357.29 332.73 12.04 o
0 7 18 767.85 767.46 17.03 o
1 7 18 68.75 68.50 7.81 o
-2 8 18 120.40 118.84 8.47 o
-1 8 18 460.76 406.41 12.51 o
0 8 18 65.05 52.41 7.43 o
-5 0 19 20.95 26.91 6.49 o
-3 0 19 20.14 23.90 7.62 o
-1 0 19 91.56 102.94 10.44 o
1 0 19 22.29 31.05 8.94 o
-5 1 19 358.13 370.37 12.04 o
-4 1 19 40.80 36.70 7.62 o
-3 1 19 62.11 69.35 8.47 o
-2 1 19 1.13 3.11 7.25 o
-1 1 19 944.66 901.08 20.33 o
0 1 19 29.52 34.06 7.90 o
1 1 19 102.19 103.32 10.16 o
2 1 19 45.76 44.04 8.47 o
-5 2 19 278.91 293.40 11.10 o
-4 2 19 717.47 679.85 15.81 o
-3 2 19 121.35 114.52 9.22 o
-2 2 19 860.33 784.11 17.88 o
-1 2 19 146.47 121.39 10.73 o
0 2 19 21.24 26.72 8.66 o
1 2 19 288.28 301.21 13.08 o
2 2 19 50.44 55.14 8.85 o
-5 3 19 1136.11 1079.11 18.07 o
-4 3 19 358.17 348.54 11.95 o
-3 3 19 116.62 118.37 9.03 o
-2 3 19 56.52 50.15 7.62 o
-1 3 19 80.47 73.58 8.85 o
0 3 19 472.24 479.80 15.06 o
1 3 19 965.18 885.36 18.82 o
-4 4 19 27.91 24.56 6.59 o
-3 4 19 573.36 558.75 14.30 o
-2 4 19 17.35 14.96 7.06 o
-1 4 19 304.99 292.36 12.04 o
0 4 19 1023.48 942.57 18.82 o
1 4 19 122.06 103.98 8.66 o
-3 5 19 208.41 187.25 9.41 o
-2 5 19 2.04 7.15 6.30 o
-1 5 19 1.52 3.95 7.06 o
0 5 19 177.09 150.37 9.32 o
1 5 19 273.38 284.83 11.10 o
-2 6 19 845.08 849.89 16.56 o
-1 6 19 165.17 155.07 9.13 o
-2 0 20 73.44 74.81 7.81 o
0 0 20 1540.09 1467.26 21.36 o
-2 1 20 118.76 106.52 8.37 o
-1 1 20 151.79 140.58 8.56 o
-2 2 20 133.23 116.77 8.28 o
-1 2 20 444.36 417.79 12.42 o
;
_cod_data_source_file cq2040sup1.cif
_cod_data_source_block I
_cod_database_code 2243867
_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 0.527
_shelx_estimated_absorpt_t_max 0.817
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_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
Ca Ca1 0.68362(3) 0.54553(2) 0.47940(2) 0.01850(13) Uani d 1 . .
P P2 0.45347(4) 0.26727(3) 0.43162(3) 0.01774(14) Uani d 1 . .
P P1 0.62937(4) 0.35998(3) 0.33838(3) 0.01807(14) Uani d 1 . .
O O3 0.38108(12) 0.34680(8) 0.43931(8) 0.0219(3) Uani d 1 . .
O O10 0.55306(12) 0.45527(8) 0.56079(8) 0.0239(3) Uani d 1 . .
O O2 0.56085(12) 0.27924(8) 0.37352(7) 0.0197(3) Uani d 1 . .
O O1 0.66242(13) 0.42666(9) 0.39857(8) 0.0248(3) Uani d 1 . .
O O90 0.83004(13) 0.48374(10) 0.57766(9) 0.0330(3) Uani d 1 . .
H H90A 0.888725 0.456432 0.556513 0.049 Uiso d 1 . .
H H90B 0.793535 0.443861 0.602403 0.049 Uiso d 1 . .
O O11 0.44513(13) 0.38712(9) 0.64024(8) 0.0294(3) Uani d 1 . .
O O12 0.64962(14) 0.39723(11) 0.66660(9) 0.0413(4) Uani d 1 . .
O O20 0.90314(14) 0.55869(10) 0.42435(10) 0.0376(4) Uani d 1 . .
O O21 0.80964(15) 0.67526(10) 0.45115(11) 0.0437(4) Uani d 1 . .
N N10 0.55055(15) 0.41293(10) 0.62398(9) 0.0237(4) Uani d 1 . .
N N2 0.53139(15) 0.38796(10) 0.26229(10) 0.0237(4) Uani d 1 . .
N N3 0.36202(14) 0.19088(10) 0.39291(10) 0.0227(4) Uani d 1 . .
O O22 0.99372(15) 0.68139(11) 0.40806(12) 0.0477(5) Uani d 1 . .
N N1 0.75741(15) 0.32132(11) 0.30813(10) 0.0242(4) Uani d 1 . .
N N20 0.90434(15) 0.63966(11) 0.42762(11) 0.0293(4) Uani d 1 . .
N N4 0.53719(15) 0.22829(10) 0.50962(10) 0.0237(4) Uani d 1 . .
C C11 0.4177(2) 0.10937(12) 0.37085(12) 0.0273(4) Uani d 1 . .
H H11A 0.367488 0.061459 0.389243 0.033 Uiso calc 1 . .
H H11B 0.504756 0.104824 0.398423 0.033 Uiso calc 1 . .
C C3 0.7476(2) 0.25653(14) 0.24476(12) 0.0279(4) Uani d 1 . .
H H3A 0.812391 0.269205 0.209197 0.033 Uiso calc 1 . .
H H3B 0.663391 0.261844 0.213587 0.033 Uiso calc 1 . .
C C1 0.88159(19) 0.33081(15) 0.35595(13) 0.0309(5) Uani d 1 . .
H H1A 0.911268 0.273725 0.375788 0.037 Uiso calc 1 . .
H H1B 0.871733 0.367625 0.402055 0.037 Uiso calc 1 . .
C C7 0.41259(18) 0.34500(13) 0.23158(12) 0.0260(4) Uani d 1 . .
H H7A 0.403116 0.292083 0.262431 0.031 Uiso calc 1 . .
H H7B 0.417409 0.327939 0.176221 0.031 Uiso calc 1 . .
C C13 0.6738(2) 0.24323(14) 0.53053(13) 0.0311(5) Uani d 1 . .
H H13A 0.690616 0.252103 0.588158 0.037 Uiso calc 1 . .
H H13B 0.697767 0.296606 0.504532 0.037 Uiso calc 1 . .
C C5 0.5696(2) 0.46275(14) 0.21772(13) 0.0333(5) Uani d 1 . .
H H5A 0.647887 0.487429 0.246018 0.040 Uiso calc 1 . .
H H5B 0.502460 0.506988 0.216419 0.040 Uiso calc 1 . .
C C9 0.22450(18) 0.20147(14) 0.37095(14) 0.0309(5) Uani d 1 . .
H H9A 0.203236 0.186627 0.314643 0.037 Uiso calc 1 . .
H H9B 0.201501 0.262377 0.377774 0.037 Uiso calc 1 . .
C C15 0.4636(2) 0.19640(13) 0.57244(13) 0.0305(5) Uani d 1 . .
H H15A 0.373954 0.213873 0.559605 0.037 Uiso calc 1 . .
H H15B 0.496278 0.224166 0.622840 0.037 Uiso calc 1 . .
C C12 0.4233(2) 0.09937(15) 0.28312(14) 0.0391(5) Uani d 1 . .
H H12A 0.337590 0.103820 0.255194 0.059 Uiso calc 1 . .
H H12B 0.459172 0.043147 0.272656 0.059 Uiso calc 1 . .
H H12C 0.476725 0.144696 0.264789 0.059 Uiso calc 1 . .
C C4 0.7648(2) 0.16493(14) 0.27330(14) 0.0370(5) Uani d 1 . .
H H4A 0.748221 0.125643 0.228494 0.056 Uiso calc 1 . .
H H4B 0.705410 0.152915 0.311699 0.056 Uiso calc 1 . .
H H4C 0.851828 0.156853 0.298193 0.056 Uiso calc 1 . .
C C16 0.4690(2) 0.10042(14) 0.58328(14) 0.0381(5) Uani d 1 . .
H H16A 0.430404 0.072327 0.535044 0.057 Uiso calc 1 . .
H H16B 0.422535 0.084300 0.627335 0.057 Uiso calc 1 . .
H H16C 0.557539 0.082205 0.594521 0.057 Uiso calc 1 . .
C C8 0.2968(2) 0.40106(18) 0.23508(16) 0.0452(6) Uani d 1 . .
H H8A 0.304985 0.453303 0.204137 0.068 Uiso calc 1 . .
H H8B 0.289688 0.416577 0.289955 0.068 Uiso calc 1 . .
H H8C 0.220780 0.369542 0.213405 0.068 Uiso calc 1 . .
C C14 0.7567(2) 0.17060(17) 0.50733(15) 0.0421(6) Uani d 1 . .
H H14A 0.742998 0.162586 0.450102 0.063 Uiso calc 1 . .
H H14B 0.734829 0.117608 0.533536 0.063 Uiso calc 1 . .
H H14C 0.845906 0.184628 0.523349 0.063 Uiso calc 1 . .
C C10 0.1470(2) 0.14537(17) 0.42031(18) 0.0491(7) Uani d 1 . .
H H10A 0.056894 0.150505 0.400662 0.074 Uiso calc 1 . .
H H10B 0.160571 0.164080 0.475393 0.074 Uiso calc 1 . .
H H10C 0.173586 0.085408 0.416665 0.074 Uiso calc 1 . .
C C2 0.9788(2) 0.3693(2) 0.31029(19) 0.0584(8) Uani d 1 . .
H H2A 0.996162 0.329816 0.268210 0.088 Uiso calc 1 . .
H H2B 1.056983 0.379490 0.345473 0.088 Uiso calc 1 . .
H H2C 0.947115 0.423835 0.287175 0.088 Uiso calc 1 . .
C C6 0.5930(3) 0.44255(18) 0.13388(15) 0.0484(7) Uani d 1 . .
H H6A 0.514821 0.420815 0.104470 0.073 Uiso calc 1 . .
H H6B 0.659625 0.398951 0.134411 0.073 Uiso calc 1 . .
H H6C 0.619838 0.494832 0.108560 0.073 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
Ca1 0.0150(2) 0.0179(2) 0.0220(2) 0.00120(13) -0.00005(15) -0.00325(14)
P2 0.0174(2) 0.0155(2) 0.0201(3) 0.00135(17) 0.00129(18) -0.00050(17)
P1 0.0152(2) 0.0185(2) 0.0203(3) -0.00014(17) 0.00136(18) -0.00302(17)
O3 0.0221(7) 0.0179(6) 0.0259(7) 0.0036(5) 0.0036(5) -0.0010(5)
O10 0.0207(7) 0.0263(7) 0.0240(7) 0.0012(5) -0.0004(5) 0.0040(6)
O2 0.0189(6) 0.0183(6) 0.0223(7) 0.0015(5) 0.0039(5) -0.0021(5)
O1 0.0248(7) 0.0230(7) 0.0265(7) -0.0019(5) 0.0019(6) -0.0075(6)
O90 0.0198(7) 0.0419(9) 0.0362(8) 0.0058(6) -0.0012(6) 0.0058(7)
O11 0.0276(8) 0.0311(8) 0.0299(8) -0.0009(6) 0.0047(6) 0.0036(6)
O12 0.0275(8) 0.0603(11) 0.0330(8) 0.0050(7) -0.0095(7) 0.0104(8)
O20 0.0310(8) 0.0274(8) 0.0563(10) 0.0044(6) 0.0126(7) 0.0017(7)
O21 0.0286(8) 0.0315(8) 0.0752(12) 0.0014(7) 0.0237(8) -0.0035(8)
N10 0.0212(8) 0.0255(8) 0.0233(8) 0.0021(7) -0.0017(7) -0.0021(7)
N2 0.0221(8) 0.0219(8) 0.0262(9) -0.0028(6) -0.0008(7) 0.0029(7)
N3 0.0184(8) 0.0170(8) 0.0322(9) 0.0005(6) 0.0009(7) -0.0020(6)
O22 0.0269(8) 0.0472(10) 0.0717(13) -0.0090(7) 0.0167(8) 0.0101(9)
N1 0.0166(8) 0.0296(9) 0.0262(8) 0.0005(6) 0.0023(6) -0.0074(7)
N20 0.0186(8) 0.0334(10) 0.0356(10) -0.0012(7) 0.0021(7) 0.0036(8)
N4 0.0250(9) 0.0236(8) 0.0220(8) 0.0029(7) 0.0008(7) 0.0028(6)
C11 0.0276(10) 0.0171(9) 0.0359(11) 0.0023(8) -0.0017(9) -0.0040(8)
C3 0.0256(10) 0.0331(11) 0.0258(10) 0.0010(8) 0.0069(8) -0.0087(8)
C1 0.0182(10) 0.0375(12) 0.0362(11) -0.0003(8) 0.0003(8) -0.0053(9)
C7 0.0193(9) 0.0318(11) 0.0255(10) -0.0024(8) -0.0032(8) -0.0005(8)
C13 0.0286(11) 0.0357(12) 0.0261(10) 0.0011(9) -0.0085(8) 0.0020(9)
C5 0.0388(12) 0.0275(11) 0.0322(12) -0.0067(9) -0.0019(9) 0.0066(9)
C9 0.0207(10) 0.0276(11) 0.0428(12) 0.0002(8) -0.0034(9) -0.0020(9)
C15 0.0394(12) 0.0272(11) 0.0257(10) 0.0070(9) 0.0071(9) 0.0058(8)
C12 0.0423(13) 0.0349(12) 0.0383(13) 0.0086(10) -0.0034(10) -0.0133(10)
C4 0.0397(13) 0.0318(12) 0.0391(13) 0.0106(10) 0.0025(10) -0.0097(10)
C16 0.0471(14) 0.0286(12) 0.0392(13) 0.0002(10) 0.0071(10) 0.0075(10)
C8 0.0253(11) 0.0602(17) 0.0486(15) 0.0117(11) -0.0026(10) 0.0055(12)
C14 0.0294(12) 0.0568(15) 0.0392(13) 0.0101(11) 0.0007(10) 0.0013(11)
C10 0.0263(12) 0.0461(15) 0.076(2) -0.0087(11) 0.0096(12) 0.0008(13)
C2 0.0279(13) 0.081(2) 0.0661(19) -0.0202(14) 0.0037(12) 0.0075(16)
C6 0.0620(17) 0.0476(15) 0.0385(14) -0.0005(13) 0.0184(12) 0.0105(11)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Ca Ca 0.3641 1.2855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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
O3 Ca1 O10 3_666 3_666 79.18(5) ?
O3 Ca1 O10 3_666 . 81.49(5) ?
O3 Ca1 O90 3_666 . 94.88(5) ?
O3 Ca1 H90A 3_666 . 110.2 ?
O3 Ca1 H90B 3_666 . 94.9 ?
O3 Ca1 O11 3_666 3_666 90.80(5) ?
O3 Ca1 O20 3_666 . 119.59(5) ?
O3 Ca1 O21 3_666 . 74.68(5) ?
O3 Ca1 N10 3_666 3_666 84.98(5) ?
O3 Ca1 N20 3_666 . 96.88(5) ?
O10 Ca1 O10 . 3_666 63.31(5) ?
O10 Ca1 H90A 3_666 . 145.6 ?
O10 Ca1 H90A . . 84.9 ?
O10 Ca1 H90B 3_666 . 121.3 ?
O10 Ca1 H90B . . 58.1 ?
O10 Ca1 O11 . 3_666 113.32(5) ?
O10 Ca1 O11 3_666 3_666 50.25(4) ?
O10 Ca1 O20 . . 144.65(5) ?
O10 Ca1 O20 3_666 . 143.21(5) ?
O10 Ca1 N10 . 3_666 88.44(5) ?
O10 Ca1 N10 3_666 3_666 25.30(4) ?
O10 Ca1 N20 3_666 . 135.44(5) ?
O10 Ca1 N20 . . 160.78(5) ?
O1 Ca1 Ca1 . 3_666 78.79(4) ?
O1 Ca1 O3 . 3_666 156.87(5) ?
O1 Ca1 O10 . . 81.98(5) ?
O1 Ca1 O10 . 3_666 78.98(5) ?
O1 Ca1 O90 . . 96.27(5) ?
O1 Ca1 H90A . . 84.2 ?
O1 Ca1 H90B . . 89.9 ?
O1 Ca1 O11 . 3_666 81.03(5) ?
O1 Ca1 O20 . . 82.91(5) ?
O1 Ca1 O21 . . 123.37(5) ?
O1 Ca1 N10 . 3_666 78.50(5) ?
O1 Ca1 N20 . . 104.00(5) ?
O90 Ca1 O10 . 3_666 138.09(5) ?
O90 Ca1 O10 . . 74.79(5) ?
O90 Ca1 H90A . . 17.0 ?
O90 Ca1 H90B . . 17.1 ?
O90 Ca1 O11 . 3_666 170.78(5) ?
O90 Ca1 O20 . . 75.35(5) ?
O90 Ca1 O21 . . 98.27(6) ?
O90 Ca1 N10 . 3_666 163.03(5) ?
O90 Ca1 N20 . . 86.32(5) ?
H90A Ca1 H90B . . 28.4 ?
O11 Ca1 H90A 3_666 . 154.5 ?
O11 Ca1 H90B 3_666 . 168.6 ?
O11 Ca1 O20 3_666 . 95.53(5) ?
O11 Ca1 N10 3_666 3_666 24.97(4) ?
O11 Ca1 N20 3_666 . 85.79(5) ?
O20 Ca1 H90A . . 61.9 ?
O20 Ca1 H90B . . 90.2 ?
O20 Ca1 N10 . 3_666 119.41(5) ?
O20 Ca1 N20 . . 24.95(5) ?
O21 Ca1 O10 . . 154.57(5) ?
O21 Ca1 O10 . 3_666 119.29(5) ?
O21 Ca1 H90A . . 95.0 ?
O21 Ca1 H90B . . 114.8 ?
O21 Ca1 O11 . 3_666 76.23(6) ?
O21 Ca1 O20 . . 49.41(5) ?
O21 Ca1 N10 . 3_666 98.06(5) ?
O21 Ca1 N20 . . 24.46(5) ?
N10 Ca1 Ca1 3_666 3_666 56.69(3) ?
N10 Ca1 H90A 3_666 . 162.2 ?
N10 Ca1 H90B 3_666 . 146.0 ?
N10 Ca1 N20 3_666 . 110.57(5) ?
N20 Ca1 Ca1 . 3_666 166.55(4) ?
N20 Ca1 H90A . . 77.7 ?
N20 Ca1 H90B . . 103.2 ?
O3 P2 O2 . . 111.91(7) ?
O3 P2 N3 . . 111.00(8) ?
O3 P2 N4 . . 118.75(8) ?
O2 P2 N3 . . 105.47(8) ?
O2 P2 N4 . . 100.92(8) ?
N3 P2 N4 . . 107.63(8) ?
O2 P1 N2 . . 103.48(8) ?
O2 P1 N1 . . 105.17(8) ?
O1 P1 O2 . . 111.86(7) ?
O1 P1 N2 . . 116.53(8) ?
O1 P1 N1 . . 110.04(8) ?
N1 P1 N2 . . 109.01(9) ?
P2 O3 Ca1 . 3_666 148.41(8) ?
Ca1 O10 Ca1 . 3_666 116.69(5) ?
N10 O10 Ca1 . . 146.30(11) ?
N10 O10 Ca1 . 3_666 96.30(10) ?
P1 O2 P2 . . 135.03(8) ?
P1 O1 Ca1 . . 169.13(9) ?
Ca1 O90 H90A . . 110.5 ?
Ca1 O90 H90B . . 110.1 ?
H90A O90 H90B . . 103.6 ?
N10 O11 Ca1 . 3_666 95.74(10) ?
N20 O20 Ca1 . . 93.84(11) ?
N20 O21 Ca1 . . 99.91(12) ?
O10 N10 Ca1 . 3_666 58.41(9) ?
O11 N10 Ca1 . 3_666 59.30(9) ?
O11 N10 O10 . . 117.68(15) ?
O12 N10 Ca1 . 3_666 178.56(14) ?
O12 N10 O10 . . 120.34(16) ?
O12 N10 O11 . . 121.98(17) ?
C7 N2 P1 . . 127.28(13) ?
C7 N2 C5 . . 116.85(16) ?
C5 N2 P1 . . 115.81(14) ?
C11 N3 P2 . . 119.81(13) ?
C11 N3 C9 . . 116.65(16) ?
C9 N3 P2 . . 123.26(13) ?
C3 N1 P1 . . 119.79(13) ?
C3 N1 C1 . . 117.19(16) ?
C1 N1 P1 . . 120.90(13) ?
O20 N20 Ca1 . . 61.21(10) ?
O21 N20 Ca1 . . 55.63(10) ?
O21 N20 O20 . . 116.82(17) ?
O22 N20 Ca1 . . 177.28(15) ?
O22 N20 O20 . . 121.36(18) ?
O22 N20 O21 . . 121.82(18) ?
C13 N4 P2 . . 124.58(14) ?
C13 N4 C15 . . 117.69(17) ?
C15 N4 P2 . . 115.62(14) ?
N3 C11 H11A . . 108.8 ?
N3 C11 H11B . . 108.8 ?
N3 C11 C12 . . 113.97(17) ?
H11A C11 H11B . . 107.7 ?
C12 C11 H11A . . 108.8 ?
C12 C11 H11B . . 108.8 ?
N1 C3 H3A . . 108.7 ?
N1 C3 H3B . . 108.7 ?
N1 C3 C4 . . 114.41(17) ?
H3A C3 H3B . . 107.6 ?
C4 C3 H3A . . 108.7 ?
C4 C3 H3B . . 108.7 ?
N1 C1 H1A . . 109.1 ?
N1 C1 H1B . . 109.1 ?
N1 C1 C2 . . 112.29(19) ?
H1A C1 H1B . . 107.9 ?
C2 C1 H1A . . 109.1 ?
C2 C1 H1B . . 109.1 ?
N2 C7 H7A . . 109.0 ?
N2 C7 H7B . . 109.0 ?
N2 C7 C8 . . 113.01(18) ?
H7A C7 H7B . . 107.8 ?
C8 C7 H7A . . 109.0 ?
C8 C7 H7B . . 109.0 ?
N4 C13 H13A . . 108.8 ?
N4 C13 H13B . . 108.8 ?
N4 C13 C14 . . 113.91(18) ?
H13A C13 H13B . . 107.7 ?
C14 C13 H13A . . 108.8 ?
C14 C13 H13B . . 108.8 ?
N2 C5 H5A . . 108.7 ?
N2 C5 H5B . . 108.7 ?
N2 C5 C6 . . 114.20(18) ?
H5A C5 H5B . . 107.6 ?
C6 C5 H5A . . 108.7 ?
C6 C5 H5B . . 108.7 ?
N3 C9 H9A . . 109.2 ?
N3 C9 H9B . . 109.2 ?
N3 C9 C10 . . 112.26(18) ?
H9A C9 H9B . . 107.9 ?
C10 C9 H9A . . 109.2 ?
C10 C9 H9B . . 109.2 ?
N4 C15 H15A . . 108.8 ?
N4 C15 H15B . . 108.8 ?
N4 C15 C16 . . 113.88(18) ?
H15A C15 H15B . . 107.7 ?
C16 C15 H15A . . 108.8 ?
C16 C15 H15B . . 108.8 ?
C11 C12 H12A . . 109.5 ?
C11 C12 H12B . . 109.5 ?
C11 C12 H12C . . 109.5 ?
H12A C12 H12B . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
C3 C4 H4A . . 109.5 ?
C3 C4 H4B . . 109.5 ?
C3 C4 H4C . . 109.5 ?
H4A C4 H4B . . 109.5 ?
H4A C4 H4C . . 109.5 ?
H4B C4 H4C . . 109.5 ?
C15 C16 H16A . . 109.5 ?
C15 C16 H16B . . 109.5 ?
C15 C16 H16C . . 109.5 ?
H16A C16 H16B . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C7 C8 H8A . . 109.5 ?
C7 C8 H8B . . 109.5 ?
C7 C8 H8C . . 109.5 ?
H8A C8 H8B . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C13 C14 H14A . . 109.5 ?
C13 C14 H14B . . 109.5 ?
C13 C14 H14C . . 109.5 ?
H14A C14 H14B . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
C9 C10 H10A . . 109.5 ?
C9 C10 H10B . . 109.5 ?
C9 C10 H10C . . 109.5 ?
H10A C10 H10B . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
C1 C2 H2A . . 109.5 ?
C1 C2 H2B . . 109.5 ?
C1 C2 H2C . . 109.5 ?
H2A C2 H2B . . 109.5 ?
H2A C2 H2C . . 109.5 ?
H2B C2 H2C . . 109.5 ?
C5 C6 H6A . . 109.5 ?
C5 C6 H6B . . 109.5 ?
C5 C6 H6C . . 109.5 ?
H6A C6 H6B . . 109.5 ?
H6A C6 H6C . . 109.5 ?
H6B C6 H6C . . 109.5 ?
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
Ca1 Ca1 3_666 4.2866(7) ?
Ca1 O3 3_666 2.3324(13) y
Ca1 O10 . 2.5075(13) ?
Ca1 O10 3_666 2.5283(14) ?
Ca1 O1 . 2.3054(13) y
Ca1 O90 . 2.3574(14) ?
Ca1 O11 3_666 2.5495(15) ?
Ca1 O20 . 2.6230(15) ?
Ca1 O21 . 2.5022(16) ?
Ca1 N10 3_666 2.9503(16) ?
Ca1 N20 . 2.9863(17) ?
P2 O3 . 1.4722(13) y
P2 O2 . 1.6084(13) ?
P2 N3 . 1.6272(16) ?
P2 N4 . 1.6312(16) ?
P1 O2 . 1.6046(13) ?
P1 O1 . 1.4752(13) y
P1 N2 . 1.6276(16) ?
P1 N1 . 1.6264(16) ?
O10 N10 . 1.268(2) ?
O90 H90A . 0.8678 ?
O90 H90B . 0.8681 ?
O11 N10 . 1.251(2) ?
O12 N10 . 1.233(2) ?
O20 N20 . 1.263(2) ?
O21 N20 . 1.255(2) ?
N2 C7 . 1.470(2) ?
N2 C5 . 1.475(2) ?
N3 C11 . 1.469(2) ?
N3 C9 . 1.475(2) ?
O22 N20 . 1.229(2) ?
N1 C3 . 1.475(3) ?
N1 C1 . 1.476(2) ?
N4 C13 . 1.472(3) ?
N4 C15 . 1.486(3) ?
C11 H11A . 0.9900 ?
C11 H11B . 0.9900 ?
C11 C12 . 1.516(3) ?
C3 H3A . 0.9900 ?
C3 H3B . 0.9900 ?
C3 C4 . 1.512(3) ?
C1 H1A . 0.9900 ?
C1 H1B . 0.9900 ?
C1 C2 . 1.491(3) ?
C7 H7A . 0.9900 ?
C7 H7B . 0.9900 ?
C7 C8 . 1.516(3) ?
C13 H13A . 0.9900 ?
C13 H13B . 0.9900 ?
C13 C14 . 1.515(3) ?
C5 H5A . 0.9900 ?
C5 H5B . 0.9900 ?
C5 C6 . 1.516(3) ?
C9 H9A . 0.9900 ?
C9 H9B . 0.9900 ?
C9 C10 . 1.522(3) ?
C15 H15A . 0.9900 ?
C15 H15B . 0.9900 ?
C15 C16 . 1.507(3) ?
C12 H12A . 0.9800 ?
C12 H12B . 0.9800 ?
C12 H12C . 0.9800 ?
C4 H4A . 0.9800 ?
C4 H4B . 0.9800 ?
C4 H4C . 0.9800 ?
C16 H16A . 0.9800 ?
C16 H16B . 0.9800 ?
C16 H16C . 0.9800 ?
C8 H8A . 0.9800 ?
C8 H8B . 0.9800 ?
C8 H8C . 0.9800 ?
C14 H14A . 0.9800 ?
C14 H14B . 0.9800 ?
C14 H14C . 0.9800 ?
C10 H10A . 0.9800 ?
C10 H10B . 0.9800 ?
C10 H10C . 0.9800 ?
C2 H2A . 0.9800 ?
C2 H2B . 0.9800 ?
C2 H2C . 0.9800 ?
C6 H6A . 0.9800 ?
C6 H6B . 0.9800 ?
C6 H6C . 0.9800 ?
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
O90 H90A O20 3_766 0.87 2.21 2.915(2) 138.2
O90 H90B O10 . 0.87 2.58 2.9568(19) 107.5
O90 H90B O12 . 0.87 2.11 2.913(2) 153.0
C1 H1B O1 . 0.99 2.40 2.929(2) 112.7
C7 H7A O2 . 0.99 2.39 2.920(2) 112.8
C9 H9B O3 . 0.99 2.45 2.967(2) 112.0
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
Ca1 O10 N10 Ca1 . . . 3_666 168.5(2) ?
Ca1 O10 N10 O11 . . . . 170.36(14) ?
Ca1 O10 N10 O11 3_666 . . . 1.87(17) ?
Ca1 O10 N10 O12 3_666 . . . -179.19(16) ?
Ca1 O10 N10 O12 . . . . -10.7(3) ?
Ca1 O11 N10 O10 3_666 . . . -1.85(16) ?
Ca1 O11 N10 O12 3_666 . . . 179.22(16) ?
Ca1 O20 N20 O21 . . . . -1.6(2) ?
Ca1 O20 N20 O22 . . . . 178.98(18) ?
Ca1 O21 N20 O20 . . . . 1.7(2) ?
Ca1 O21 N20 O22 . . . . -178.88(17) ?
P2 N3 C11 C12 . . . . -103.49(19) ?
P2 N3 C9 C10 . . . . -114.7(2) ?
P2 N4 C13 C14 . . . . -98.6(2) ?
P2 N4 C15 C16 . . . . 111.65(19) ?
P1 N2 C7 C8 . . . . 117.00(19) ?
P1 N2 C5 C6 . . . . 116.1(2) ?
P1 N1 C3 C4 . . . . -98.4(2) ?
P1 N1 C1 C2 . . . . -127.1(2) ?
O3 P2 O2 P1 . . . . 17.41(15) ?
O3 P2 N3 C11 . . . . 172.32(14) ?
O3 P2 N3 C9 . . . . -1.41(19) ?
O3 P2 N4 C13 . . . . -96.59(17) ?
O3 P2 N4 C15 . . . . 66.46(16) ?
O2 P2 O3 Ca1 . . . 3_666 -120.44(15) ?
O2 P2 N3 C11 . . . . 50.92(16) ?
O2 P2 N3 C9 . . . . -122.81(16) ?
O2 P2 N4 C13 . . . . 26.05(17) ?
O2 P2 N4 C15 . . . . -170.90(13) ?
O2 P1 O1 Ca1 . . . . -108.8(5) ?
O2 P1 N2 C7 . . . . -3.28(18) ?
O2 P1 N2 C5 . . . . 179.41(14) ?
O2 P1 N1 C3 . . . . 62.43(17) ?
O2 P1 N1 C1 . . . . -100.59(17) ?
O1 P1 O2 P2 . . . . 42.43(14) ?
O1 P1 N2 C7 . . . . -126.48(16) ?
O1 P1 N2 C5 . . . . 56.20(17) ?
O1 P1 N1 C3 . . . . -176.94(15) ?
O1 P1 N1 C1 . . . . 20.05(19) ?
N2 P1 O2 P2 . . . . -83.81(13) ?
N2 P1 O1 Ca1 . . . . 9.9(5) ?
N2 P1 N1 C3 . . . . -47.99(18) ?
N2 P1 N1 C1 . . . . 149.00(16) ?
N3 P2 O3 Ca1 . . . 3_666 122.02(15) ?
N3 P2 O2 P1 . . . . 138.22(12) ?
N3 P2 N4 C13 . . . . 136.32(16) ?
N3 P2 N4 C15 . . . . -60.64(16) ?
N1 P1 O2 P2 . . . . 161.86(12) ?
N1 P1 O1 Ca1 . . . . 134.7(4) ?
N1 P1 N2 C7 . . . . 108.26(17) ?
N1 P1 N2 C5 . . . . -69.05(16) ?
N4 P2 O3 Ca1 . . . 3_666 -3.46(19) ?
N4 P2 O2 P1 . . . . -109.86(12) ?
N4 P2 N3 C11 . . . . -56.19(17) ?
N4 P2 N3 C9 . . . . 130.08(16) ?
C11 N3 C9 C10 . . . . 71.4(2) ?
C3 N1 C1 C2 . . . . 69.5(3) ?
C1 N1 C3 C4 . . . . 65.2(2) ?
C7 N2 C5 C6 . . . . -61.5(3) ?
C13 N4 C15 C16 . . . . -84.1(2) ?
C5 N2 C7 C8 . . . . -65.7(2) ?
C9 N3 C11 C12 . . . . 70.6(2) ?
C15 N4 C13 C14 . . . . 98.7(2) ?
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_sigma
2 0 0 577.75 1.83
4 0 0 117.77 1.21
6 0 0 5.41 0.73
8 0 0 173.81 2.91
10 0 0 197.75 3.54
12 0 0 30.71 1.35
1 1 0 964.13 1.76
2 1 0 32.32 0.51
3 1 0 981.13 3.07
4 1 0 323.34 1.99
5 1 0 80.08 1.52
6 1 0 25.4 1.1
7 1 0 6.07 0.83
8 1 0 6.12 0.95
9 1 0 162.46 3.16
10 1 0 0.94 1.09
11 1 0 40.28 1.75
12 1 0 3.5 0.88
0 2 0 986.04 2.1
1 2 0 196.33 1.2
2 2 0 17.68 0.54
3 2 0 1605.53 3.35
4 2 0 637.86 3.54
5 2 0 69.18 1.3
6 2 0 180.06 2.5
7 2 0 3.23 0.78
8 2 0 282.82 3.78
9 2 0 559.95 5.57
10 2 0 137.22 2.97
11 2 0 12.76 1.28
12 2 0 78.49 1.86
1 3 0 139.91 1.18
2 3 0 142.68 1.36
3 3 0 259.16 2.07
4 3 0 527.6 3.36
5 3 0 420.28 3.22
6 3 0 305.21 3.2
7 3 0 11.09 1.01
8 3 0 86.28 2.21
9 3 0 6.58 1.15
10 3 0 129.4 2.83
11 3 0 219.67 3.4
12 3 0 94.22 1.98
0 4 0 1692.04 3.73
1 4 0 2.52 0.38
2 4 0 88.41 1.19
3 4 0 537.95 3.16
4 4 0 409.4 3.13
5 4 0 272.51 2.87
6 4 0 42.23 1.4
7 4 0 42.49 1.55
8 4 0 516.78 5.14
9 4 0 12.27 1.28
10 4 0 25.41 1.55
11 4 0 26.9 1.49
12 4 0 8.13 0.91
1 5 0 204.6 1.72
2 5 0 18.94 0.68
3 5 0 324.94 2.65
4 5 0 932.89 4.98
5 5 0 183.4 2.49
6 5 0 7.41 0.93
7 5 0 364.74 4.15
8 5 0 93.19 2.38
9 5 0 2.54 1.11
10 5 0 2.83 1
11 5 0 6.2 1.03
0 6 0 65.13 0.98
1 6 0 21.45 0.73
2 6 0 774.9 3.85
3 6 0 3.32 0.58
4 6 0 82.74 1.71
5 6 0 245.67 2.99
6 6 0 0.95 0.84
7 6 0 234.65 3.5
8 6 0 629.52 5.85
9 6 0 12.99 1.32
10 6 0 72.06 2.12
11 6 0 64.57 1.82
1 7 0 1.23 0.48
2 7 0 162.11 1.96
3 7 0 5.95 0.75
4 7 0 1035.19 5.89
5 7 0 356.83 3.77
6 7 0 126.02 2.54
7 7 0 250.81 3.7
8 7 0 38 1.76
9 7 0 214.03 3.54
10 7 0 1.14 0.9
11 7 0 30.18 1.31
0 8 0 32.06 0.98
1 8 0 387.6 3
2 8 0 339.56 3.16
3 8 0 30.52 1.18
4 8 0 14.44 1.02
5 8 0 4.1 0.92
6 8 0 12.4 1.16
7 8 0 1.37 1.01
8 8 0 11.09 1.27
9 8 0 119.1 2.71
10 8 0 78.55 2.08
11 8 0 5.66 0.81
1 9 0 6.1 0.75
2 9 0 10.98 0.78
3 9 0 290.53 3.35
4 9 0 54.29 1.69
5 9 0 6.34 0.98
6 9 0 236.95 3.59
7 9 0 0.82 0.92
8 9 0 12.21 1.32
9 9 0 2.42 0.94
10 9 0 81.68 2.02
0 10 0 549.94 4.27
1 10 0 5.97 0.83
2 10 0 97 2.04
3 10 0 6.58 0.91
4 10 0 249.5 3.46
5 10 0 30.92 1.54
6 10 0 1.19 0.95
7 10 0 76.3 2.3
8 10 0 2.01 1.11
9 10 0 3.67 0.95
10 10 0 11.97 0.99
1 11 0 729.2 5.41
2 11 0 87.33 2.09
3 11 0 98.38 2.22
4 11 0 21.98 1.43
5 11 0 6.19 1.08
6 11 0 3.6 1.06
7 11 0 0.04 0.97
8 11 0 11.35 1.19
9 11 0 63.06 1.8
0 12 0 39.3 1.61
1 12 0 72.92 2.01
2 12 0 31.55 1.5
3 12 0 116.49 2.58
4 12 0 16.84 1.33
5 12 0 147.91 2.94
6 12 0 14.27 1.33
7 12 0 46.15 1.79
8 12 0 60.88 1.87
9 12 0 0.71 0.73
1 13 0 85.39 2.23
2 13 0 201.17 3.3
3 13 0 21.36 1.41
4 13 0 138.29 2.87
5 13 0 106.01 2.57
6 13 0 50.03 1.82
7 13 0 24.09 1.35
8 13 0 26.22 1.27
0 14 0 77.87 2.21
1 14 0 1.4 1.03
2 14 0 15.36 1.29
3 14 0 46.91 1.78
4 14 0 202.4 3.33
5 14 0 100.97 2.4
6 14 0 3.12 0.93
7 14 0 2 0.81
8 14 0 110.69 1.97
1 15 0 55.94 1.98
2 15 0 71.18 2.11
3 15 0 54.02 1.8
4 15 0 27.34 1.41
5 15 0 8.92 1.03
6 15 0 6.62 0.93
7 15 0 51.54 1.45
0 16 0 14.69 1.2
1 16 0 275.59 3.73
2 16 0 23.16 1.35
3 16 0 1.24 0.89
4 16 0 0.34 0.77
5 16 0 28.6 1.19
6 16 0 5.52 0.79
1 17 0 0.48 0.84
2 17 0 115.94 2.3
3 17 0 90.61 1.97
4 17 0 56.02 1.5
0 18 0 17.26 1.02
1 18 0 22.58 1.12
2 18 0 15.98 0.96
-11 0 1 227.52 3.54
-9 0 1 1319.83 8.39
-7 0 1 25.7 1.22
-5 0 1 34.61 1.08
-3 0 1 11.98 0.47
-1 0 1 1697.29 2.67
1 0 1 5216.3 4.67
3 0 1 68.45 0.82
5 0 1 334.36 2.91
7 0 1 101.44 2.08
9 0 1 194.85 3.51
11 0 1 59.52 1.99
-12 1 1 4.56 0.91
-11 1 1 14.56 1.31
-10 1 1 26.42 1.56
-9 1 1 22.5 1.53
-8 1 1 281.4 3.67
-7 1 1 42.4 1.44
-6 1 1 317.14 3.23
-5 1 1 270.87 2.66
-4 1 1 405.46 2.43
-3 1 1 499.91 2.34
-2 1 1 386.98 1.74
-1 1 1 354.1 1.3
0 1 1 4319.69 4.01
1 1 1 1679.99 1.97
2 1 1 22.97 0.55
3 1 1 240.69 1.23
4 1 1 181.73 1.89
5 1 1 126.96 1.85
6 1 1 144.54 2.22
7 1 1 60.79 1.64
8 1 1 108.53 2.44
9 1 1 25.82 1.61
10 1 1 1.04 1.12
11 1 1 18.76 1.33
12 1 1 2.9 0.87
-12 2 1 104.81 2.14
-11 2 1 81.27 2.23
-10 2 1 12.74 1.28
-9 2 1 56.05 2.01
-8 2 1 91.44 2.25
-7 2 1 19.04 1.11
-6 2 1 12.88 0.85
-5 2 1 493.89 3.36
-4 2 1 133.55 1.42
-3 2 1 1030.9 3.29
-2 2 1 506.49 2.15
-1 2 1 108.18 0.87
0 2 1 273.4 1.23
1 2 1 953.33 2.64
2 2 1 76.36 0.96
3 2 1 3.49 0.41
4 2 1 196.77 1.99
5 2 1 140.19 2
6 2 1 24.43 1.06
7 2 1 4.31 0.84
8 2 1 100.99 2.38
9 2 1 0.86 1.13
10 2 1 3.77 1.14
11 2 1 158.22 2.96
12 2 1 9.02 0.96
-12 3 1 4.22 0.85
-11 3 1 17.28 1.27
-10 3 1 1.39 1.01
-9 3 1 747.68 6.36
-8 3 1 77.74 2.13
-7 3 1 4.55 0.91
-6 3 1 9.05 0.78
-5 3 1 2.95 0.56
-4 3 1 132.63 1.71
-3 3 1 615.25 3.17
-2 3 1 1429.69 4.2
-1 3 1 69.36 0.82
0 3 1 99.19 0.92
1 3 1 262.37 1.61
2 3 1 135.18 1.35
3 3 1 176.5 1.74
4 3 1 1.8 0.57
5 3 1 54.3 1.35
6 3 1 202.53 2.7
7 3 1 10.8 0.97
8 3 1 212.68 3.32
9 3 1 28.97 1.59
10 3 1 50.84 2.01
11 3 1 50.31 1.79
12 3 1 112.92 2.1
-12 4 1 41.2 1.38
-11 4 1 70.61 2.04
-10 4 1 169.43 3.17
-9 4 1 6.91 1.18
-8 4 1 2.79 0.97
-7 4 1 10.64 1
-6 4 1 24.4 1.14
-5 4 1 177.62 2.3
-4 4 1 1290.23 5.5
-3 4 1 166.36 1.81
-2 4 1 249.83 1.92
-1 4 1 194.43 1.43
0 4 1 221.08 1.44
1 4 1 158.96 1.32
2 4 1 135 1.31
3 4 1 26.6 0.82
4 4 1 338.05 2.86
5 4 1 134.8 2.06
6 4 1 201.64 2.77
7 4 1 205.14 3.04
8 4 1 0.45 0.87
9 4 1 442.83 5.04
10 4 1 16.44 1.43
11 4 1 24.39 1.44
12 4 1 78.38 1.73
-12 5 1 5.94 0.78
-11 5 1 17.4 1.22
-10 5 1 46.63 1.81
-9 5 1 17.18 1.38
-8 5 1 97.68 2.44
-7 5 1 43.17 1.61
-6 5 1 37.91 1.34
-5 5 1 10.35 0.83
-4 5 1 275.97 2.77
-3 5 1 238.48 2.3
-2 5 1 61.03 0.96
-1 5 1 22.73 0.69
0 5 1 5.35 0.41
1 5 1 100.86 1.19
2 5 1 1.26 0.38
3 5 1 31.22 0.97
4 5 1 17.97 0.88
5 5 1 27.8 1.14
6 5 1 0.86 0.76
7 5 1 58.54 1.83
8 5 1 27.26 1.54
9 5 1 53.35 1.99
10 5 1 1.07 0.95
11 5 1 8.14 1.1
-11 6 1 4.22 0.88
-10 6 1 1.21 0.93
-9 6 1 111.21 2.66
-8 6 1 138.98 2.91
-7 6 1 46.6 1.73
-6 6 1 341.46 3.82
-5 6 1 444.34 3.99
-4 6 1 293.72 3
-3 6 1 5.67 0.64
-2 6 1 17.5 0.73
-1 6 1 2323.98 6.34
0 6 1 0.8 0.36
1 6 1 773.09 3.52
2 6 1 307.6 2.61
3 6 1 10.42 0.76
4 6 1 179.95 2.4
5 6 1 221.87 2.88
6 6 1 18.28 1.13
7 6 1 22.87 1.38
8 6 1 76.02 2.25
9 6 1 290.52 4.1
10 6 1 101.64 2.48
11 6 1 9.33 1.02
-11 7 1 2.33 0.82
-10 7 1 5.89 1.03
-9 7 1 26.04 1.55
-8 7 1 141.53 2.95
-7 7 1 5 1.07
-6 7 1 5.64 0.98
-5 7 1 371.96 3.85
-4 7 1 67.5 1.66
-3 7 1 21.48 0.92
-2 7 1 3.39 0.61
-1 7 1 198.8 2.08
0 7 1 0.72 0.36
1 7 1 476.53 2.99
2 7 1 8.33 0.79
3 7 1 73.09 1.57
4 7 1 89.03 1.83
5 7 1 627.25 4.99
6 7 1 1.79 0.92
7 7 1 208.99 3.39
8 7 1 335.58 4.42
9 7 1 100.06 2.53
10 7 1 151.51 2.84
11 7 1 61.85 1.66
-11 8 1 92.28 1.87
-10 8 1 77.18 2.06
-9 8 1 2.19 1.08
-8 8 1 49.71 1.93
-7 8 1 1.78 1.04
-6 8 1 7.13 1.03
-5 8 1 38.77 1.46
-4 8 1 2.85 0.75
-3 8 1 88.88 1.8
-2 8 1 129.81 1.95
-1 8 1 186.68 2.23
0 8 1 1.23 0.44
1 8 1 60.79 1.35
2 8 1 223.29 2.55
3 8 1 203.32 2.58
4 8 1 1016.08 6.23
5 8 1 32.18 1.43
6 8 1 110.47 2.47
7 8 1 27.74 1.55
8 8 1 71.62 2.22
9 8 1 159.47 3.01
10 8 1 48.63 1.71
11 8 1 10.99 0.95
-10 9 1 99.49 2.19
-9 9 1 53.39 1.91
-8 9 1 25.85 1.58
-7 9 1 15.76 1.37
-6 9 1 93.66 2.35
-5 9 1 106.59 2.38
-4 9 1 53.18 1.65
-3 9 1 6.28 0.86
-2 9 1 5.29 0.75
-1 9 1 55.86 1.39
0 9 1 321.63 3.08
1 9 1 129.04 2.02
2 9 1 246.34 2.84
3 9 1 4.11 0.79
4 9 1 254.4 3.35
5 9 1 34.99 1.55
6 9 1 94.53 2.41
7 9 1 9.64 1.21
8 9 1 1.67 1.07
9 9 1 11.1 1.14
10 9 1 193.17 2.89
-10 10 1 0.08 0.73
-9 10 1 24.28 1.37
-8 10 1 81.87 2.33
-7 10 1 75.8 2.25
-6 10 1 199.61 3.36
-5 10 1 504.53 5.06
-4 10 1 45.71 1.67
-3 10 1 171.74 2.76
-2 10 1 9.41 0.91
-1 10 1 221.99 2.85
0 10 1 126.47 2.22
1 10 1 319.64 3.42
2 10 1 455.53 4.24
3 10 1 204.13 3.01
4 10 1 -0.27 0.8
5 10 1 22.3 1.44
6 10 1 251.58 3.81
7 10 1 67.99 2.18
8 10 1 106.07 2.55
9 10 1 19.23 1.23
10 10 1 37.95 1.35
-10 11 1 18.98 1.01
-9 11 1 8.76 1.03
-8 11 1 51.15 1.85
-7 11 1 3.11 1.08
-6 11 1 2.42 1.07
-5 11 1 -0.26 0.98
-4 11 1 1.17 0.88
-3 11 1 34.21 1.46
-2 11 1 13.6 1.06
-1 11 1 10.11 0.97
0 11 1 640.87 5.11
1 11 1 4 0.9
2 11 1 100.32 2.24
3 11 1 2.83 0.9
4 11 1 93.53 2.36
5 11 1 16.42 1.35
6 11 1 21.19 1.43
7 11 1 0.72 1.02
8 11 1 56.49 1.9
9 11 1 4.01 0.91
-9 12 1 1.33 0.74
-8 12 1 46.04 1.66
-7 12 1 33.43 1.56
-6 12 1 109.5 2.57
-5 12 1 66.82 2.13
-4 12 1 192.73 3.27
-3 12 1 489.91 4.95
-2 12 1 0.27 0.81
-1 12 1 35.05 1.55
0 12 1 367.02 4.13
1 12 1 37.46 1.57
2 12 1 105.87 2.4
3 12 1 35.52 1.67
4 12 1 39.03 1.74
5 12 1 75.36 2.22
6 12 1 125.27 2.76
7 12 1 15.7 1.31
8 12 1 70.94 1.98
9 12 1 21.32 1.12
-8 13 1 26.24 1.24
-7 13 1 16.82 1.23
-6 13 1 12.86 1.16
-5 13 1 26.47 1.52
-4 13 1 27.94 1.53
-3 13 1 0.57 0.96
-2 13 1 218.06 3.46
-1 13 1 3.92 1.06
0 13 1 23.57 1.4
1 13 1 156.7 2.92
2 13 1 21.48 1.39
3 13 1 98.18 2.49
4 13 1 198.79 3.42
5 13 1 131.32 2.78
6 13 1 117.11 2.59
7 13 1 11.52 1.13
8 13 1 22.1 1.19
-8 14 1 60.2 1.52
-7 14 1 41.66 1.5
-6 14 1 -0.39 0.85
-5 14 1 46.92 1.76
-4 14 1 166.97 3.01
-3 14 1 33.83 1.63
-2 14 1 21.99 1.45
-1 14 1 17.88 1.38
0 14 1 36.48 1.67
1 14 1 0.13 0.88
2 14 1 49.97 1.85
3 14 1 77.9 2.22
4 14 1 163.15 3.04
5 14 1 124.18 2.62
6 14 1 15.37 1.2
7 14 1 7.32 0.95
8 14 1 7.01 0.76
-7 15 1 83.19 1.75
-6 15 1 7.86 0.94
-5 15 1 23.91 1.29
-4 15 1 3.6 0.92
-3 15 1 12.84 1.22
-2 15 1 62.34 2.02
-1 15 1 172.34 3.16
0 15 1 53.54 1.92
1 15 1 57.37 1.96
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1 0 9 51.68 1.32
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2 2 9 53.66 1.45
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1 0 19 3.3 0.95
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0 1 19 3.62 0.84
1 1 19 10.98 1.08
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0 2 19 2.84 0.92
1 2 19 32.01 1.39
2 2 19 5.86 0.94
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0 3 19 50.99 1.6
1 3 19 94.09 2
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-1 4 19 31.07 1.28
0 4 19 100.17 2
1 4 19 11.05 0.92
-3 5 19 19.9 1
-2 5 19 0.76 0.67
-1 5 19 0.42 0.75
0 5 19 15.98 0.99
1 5 19 30.27 1.18
-2 6 19 90.32 1.76
-1 6 19 16.48 0.97
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0 0 20 155.93 2.27
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_cod_database_fobs_code 2243867