#------------------------------------------------------------------------------
#$Date: 2019-11-26 07:20:10 +0200 (Tue, 26 Nov 2019) $
#$Revision: 242935 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/30/4133088.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4133088
loop_
_publ_author_name
'Carter, Joseph H.'
'Han, Xue'
'Moreau, Florian Y.'
'da Silva, Ivan'
'Nevin, Adam'
'Godfrey, Harry G. W.'
'Tang, Chiu C.'
'Yang, Sihai'
'Schröder, Martin'
_publ_section_title
;
 Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust
 Zirconium-Based Metal-Organic Framework.
;
_journal_issue                   46
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15564
_journal_page_last               15567
_journal_paper_doi               10.1021/jacs.8b08433
_journal_volume                  140
_journal_year                    2018
_chemical_formula_moiety         'C44 H24 N2 O16 Zr3'
_chemical_formula_sum            'C44 H24 N2 O16 Zr3'
_chemical_formula_weight         1110.3372
_chemical_name_mineral           MFM-601_empty
_space_group_IT_number           141
_space_group_name_Hall           '-I 4bd 2'
_space_group_name_H-M_alt        'I 41/a m d :2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.7442(2)
_cell_length_b                   20.7442(2)
_cell_length_c                   66.4456(7)
_cell_measurement_temperature    298
_cell_volume                     28593.0(5)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Diamond I11 Powder Diffractometer'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.826013
_diffrn_source                   Synchrotron
_exptl_crystal_density_diffrn    0.51586
_pd_meas_scan_method             continuous
_pd_proc_ls_prof_R_factor        7.33118493
_pd_proc_ls_prof_wR_expected     2.52289059
_pd_proc_ls_prof_wR_factor       10.2876465
_pd_spec_mounting                'borosilicate capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   4.077722
_refine_ls_R_factor_all          6.04348861
_refine_ls_shift/su_max          0.001
_cod_data_source_file            ja8b08433_si_002.cif
_cod_data_source_block           MFM-601_empty
_cod_original_cell_volume        28593.1(7)
_cod_original_sg_symbol_H-M      I41/amd:2
_cod_database_code               4133088
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, y, z '
'-x+1/2, -y, z+1/2 '
'-x+1/2, y, -z+1/2 '
'-y+1/4, -x+1/4, -z-1/4 '
'-y+1/4, x-1/4, z+1/4 '
'-y-1/4, -x+1/4, z-1/4 '
'-y-1/4, x-1/4, -z+1/4 '
'y+1/4, -x+1/4, z-1/4 '
'y+1/4, x-1/4, -z+1/4 '
'y-1/4, -x+1/4, -z-1/4 '
'y-1/4, x-1/4, z+1/4 '
'x, -y, -z '
'-x, -y, -z '
'x+1/2, -y, z+1/2 '
'x+1/2, y, -z+1/2 '
'x+1/2, y+1/2, z+1/2 '
'-x+1/2, y+1/2, z+1/2 '
'-x, -y+1/2, z '
'-x, y+1/2, -z '
'-y-1/4, -x-1/4, -z+1/4 '
'-y-1/4, x+1/4, z-1/4 '
'-y+1/4, -x-1/4, z+1/4 '
'-y+1/4, x+1/4, -z-1/4 '
'y-1/4, -x-1/4, z+1/4 '
'y-1/4, x+1/4, -z-1/4 '
'y+1/4, -x-1/4, -z+1/4 '
'y+1/4, x+1/4, z-1/4 '
'x+1/2, -y+1/2, -z+1/2 '
'-x+1/2, -y+1/2, -z+1/2 '
'x, -y+1/2, z '
'x, y+1/2, -z '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
C7AA C 16 0.0636(5) 0.5 0 1 10.0(3)
C8AA C 32 0.0318(2) 0.4507(5) 0.0077(2) 1 10.0(3)
C6AA C 16 0.1404(7) 0.5 0 1 10.0(3)
C5 C 32 0.1753(7) 0.4703(11) 0.0164(2) 1 10.0(3)
C5AA C 32 0.2423(7) 0.4726(10) 0.01515(18) 1 10.0(3)
C4 C 32 0.2854(8) 0.441(2) 0.0325(4) 1 10.0(3)
C3 C 32 0.3370(8) 0.3996(19) 0.0275(7) 1 10.0(3)
C2 C 32 0.3752(8) 0.372(3) 0.0428(8) 1 10.0(3)
C3AA C 32 0.3617(8) 0.386(4) 0.0633(8) 1 10.0(3)
C14 C 32 0.3101(8) 0.427(5) 0.0683(5) 1 10.0(3)
C0AA C 32 0.2719(8) 0.455(4) 0.0530(3) 1 10.0(3)
C7 C 32 0.3969(8) 0.360(5) 0.0775(9) 1 10.0(3)
O2AA O 32 0.4460(11) 0.317(5) 0.0725(12) 1 10.0(3)
O6 O 32 0.3854(11) 0.376(7) 0.0976(8) 1 10.0(3)
H8AA H 32 0.0543(2) 0.4158(7) 0.0131(4) 1 12.0(4)
H5 H 32 0.1527(7) 0.4511(18) 0.0270(3) 1 12.0(4)
H3 H 32 0.3459(9) 0.3905(11) 0.0140(7) 1 12.0(4)
H2 H 32 0.4093(9) 0.344(3) 0.0395(10) 1 12.0(4)
H14 H 32 0.3012(9) 0.436(6) 0.0818(4) 1 12.0(4)
H0AA H 32 0.2378(9) 0.482(4) 0.05630(16) 1 12.0(4)
N1b N 16 0.2751(12) 0.5 0 1 10.0(3)
ZR1 Zr 8 0.5 0.25 0.08925(11) 1 6.29(15)
ZR2 Zr 16 0.41608(16) 0.33392(16) 0.125 1 6.29(15)
O1 O 16 0.4101(17) 0.25 0.1036(5) 1 10.0(3)
O2 O 16 0.5 0.3417(17) 0.1067(5) 1 10.0(3)
O0AA O 32 0.2970(7) 0.3015(7) 0.1204(3) 1 10.0(3)
loop_
_pd_meas_2theta_scan
_pd_proc_intensity_total
_pd_calc_intensity_total
_pd_proc_ls_weight
2.00000 1266.27600 1213.37716 0.00161
2.00100 1253.28600 1214.70921 0.00157
2.00200 1222.98100 1216.04517 0.00139
2.00300 1283.86500 1217.38509 0.00136
2.00400 1234.95900 1218.72896 0.00166
2.00500 1232.08700 1220.07680 0.00151
2.00600 1195.81400 1221.42864 0.00141
2.00700 1258.56900 1222.78448 0.00146
2.00800 1260.86600 1224.14434 0.00161
2.00900 1264.97800 1225.50823 0.00143
2.01000 1288.84800 1226.87617 0.00132
2.01100 1281.19900 1228.24818 0.00152
2.01200 1255.06200 1229.62427 0.00164
2.01300 1270.99900 1231.00445 0.00138
2.01400 1255.40200 1232.38875 0.00139
2.01500 1289.67600 1233.77718 0.00155
2.01600 1288.08200 1235.16976 0.00153
2.01700 1293.36900 1236.56650 0.00130
2.01800 1218.77200 1237.96742 0.00145
2.01900 1272.60100 1239.37254 0.00161
2.02000 1337.06800 1240.78186 0.00142
2.02100 1305.23900 1242.19542 0.00130
2.02200 1279.25900 1243.61323 0.00144
2.02300 1317.14300 1245.03530 0.00157
2.02400 1325.98300 1246.46165 0.00139
2.02500 1289.64500 1247.89231 0.00131
2.02600 1299.62400 1249.32728 0.00147
2.02700 1308.29100 1250.76659 0.00157
2.02800 1319.68900 1252.21025 0.00134
2.02900 1275.76000 1253.65829 0.00135
2.03000 1304.68100 1255.11072 0.00153
2.03100 1314.64200 1256.56756 0.00152
2.03200 1292.78600 1258.02882 0.00132
2.03300 1338.78100 1259.49454 0.00129
2.03400 1340.89300 1260.96472 0.00154
2.03500 1365.58400 1262.43939 0.00141
2.03600 1375.40600 1263.91858 0.00121
2.03700 1325.18000 1265.40229 0.00135
2.03800 1366.18700 1266.89055 0.00149
2.03900 1303.98800 1268.38337 0.00143
2.04000 1362.30300 1269.88078 0.00123
2.04100 1303.72000 1271.38281 0.00146
2.04200 1315.72500 1272.88947 0.00155
2.04300 1364.78600 1274.40078 0.00130
2.04400 1293.62000 1275.91677 0.00135
2.04500 1353.15200 1277.43746 0.00146
2.04600 1323.14200 1278.96285 0.00155
2.04700 1322.47500 1280.49301 0.00130
2.04800 1279.16600 1282.02792 0.00136
2.04900 1388.50800 1283.56762 0.00146
2.05000 1365.52500 1285.11214 0.00143
2.05100 1297.70500 1286.66148 0.00131
2.05200 1330.60500 1288.21570 0.00132
2.05300 1323.87200 1289.77479 0.00155
2.05400 1353.79900 1291.33879 0.00138
2.05500 1341.02900 1292.90773 0.00126
2.05600 1326.83800 1294.48163 0.00140
2.05700 1377.23600 1296.06052 0.00148
2.05800 1343.21800 1297.64442 0.00135
2.05900 1396.56300 1299.23335 0.00121
2.06000 1350.48800 1300.82736 0.00143
2.06100 1374.44700 1302.42645 0.00147
2.06200 1360.02600 1304.03068 0.00130
2.06300 1387.46800 1305.64004 0.00123
2.06400 1346.74800 1307.25459 0.00149
2.06500 1397.46600 1308.87434 0.00142
2.06600 1379.01900 1310.49933 0.00124
2.06700 1391.13500 1312.12958 0.00125
2.06800 1363.78300 1313.76514 0.00149
2.06900 1383.66700 1315.40602 0.00135
2.07000 1351.48400 1317.05225 0.00123
2.07100 1406.02000 1318.70389 0.00130
2.07200 1461.08800 1320.36095 0.00139
2.07300 1379.98100 1322.02345 0.00134
2.07400 1329.68600 1323.69145 0.00129
2.07500 1337.16600 1325.36498 0.00143
2.07600 1332.15100 1327.04406 0.00154
2.07700 1358.51200 1328.72873 0.00131
2.07800 1396.76000 1330.41904 0.00124
2.07900 1408.59100 1332.11500 0.00142
2.08000 1384.35200 1333.81667 0.00145
2.08100 1349.76300 1335.52407 0.00126
2.08200 1329.45600 1337.23726 0.00130
2.08300 1348.47500 1338.95626 0.00152
2.08400 1316.87000 1340.68112 0.00147
2.08500 1379.59700 1342.41187 0.00121
2.08600 1329.96400 1344.14856 0.00134
2.08700 1349.74300 1345.89122 0.00152
2.08800 1408.83900 1347.63990 0.00131
2.08900 1423.20300 1349.39465 0.00117
2.09000 1386.25500 1351.15550 0.00137
2.09100 1388.95600 1352.92250 0.00149
2.09200 1394.41100 1354.69570 0.00129
2.09300 1432.21300 1356.47513 0.00120
2.09400 1435.03900 1358.26087 0.00137
2.09500 1404.22000 1360.05294 0.00144
2.09600 1387.05600 1361.85139 0.00124
2.09700 1357.30800 1363.65628 0.00128
2.09800 1431.02800 1365.46765 0.00141
2.09900 1415.42800 1367.28556 0.00138
2.10000 1391.81900 1369.11006 0.00120
2.10100 1424.95300 1370.94120 0.00123
2.10200 1392.85200 1372.77905 0.00147
2.10300 1384.87100 1374.62363 0.00135
2.10400 1411.84200 1376.47503 0.00119
2.10500 1461.79700 1378.33331 0.00127
2.10600 1451.43700 1380.19850 0.00141
2.10700 1357.03500 1382.07068 0.00135
2.10800 1392.70600 1383.94991 0.00122
2.10900 1444.19400 1385.83625 0.00135
2.11000 1473.39400 1387.72974 0.00138
2.11100 1451.68000 1389.63050 0.00121
2.11200 1451.68000 1391.53855 0.00118
2.11300 1374.11100 1393.45396 0.00146
2.11400 1391.80800 1395.37683 0.00141
2.11500 1382.32800 1397.30718 0.00123
2.11600 1450.06000 1399.24514 0.00119
2.11700 1404.77200 1401.19073 0.00146
2.11800 1435.22500 1403.14407 0.00132
2.11900 1459.66800 1405.10520 0.00114
2.12000 1406.53900 1407.07422 0.00129
2.12100 1380.45000 1409.05119 0.00149
2.12200 1348.02000 1411.03622 0.00136
2.12300 1409.18500 1413.02935 0.00121
2.12400 1459.10700 1415.03071 0.00131
2.12500 1390.71700 1417.04035 0.00148
2.12600 1388.75400 1419.05837 0.00129
2.12700 1440.77100 1421.08488 0.00119
2.12800 1390.68000 1423.11994 0.00142
2.12900 1414.57400 1425.16366 0.00141
2.13000 1440.04400 1427.21613 0.00119
2.13100 1386.33500 1429.27745 0.00125
2.13200 1418.25200 1431.34772 0.00142
2.13300 1393.86900 1433.42705 0.00138
2.13400 1380.02900 1435.51553 0.00121
2.13500 1420.27200 1437.61327 0.00124
2.13600 1397.43800 1439.72038 0.00148
2.13700 1484.64100 1441.83698 0.00123
2.13800 1450.65400 1443.96318 0.00116
2.13900 1441.93800 1446.09909 0.00131
2.14000 1480.59700 1448.24482 0.00138
2.14100 1456.18000 1450.40050 0.00124
2.14200 1426.13900 1452.56627 0.00121
2.14300 1456.24400 1454.74224 0.00134
2.14400 1420.03100 1456.92855 0.00142
2.14500 1461.59100 1459.12532 0.00118
2.14600 1433.52000 1461.33269 0.00122
2.14700 1479.97100 1463.55081 0.00137
2.14800 1402.83000 1465.77981 0.00140
2.14900 1459.60300 1468.01984 0.00114
2.15000 1495.68900 1470.27104 0.00118
2.15100 1520.28800 1472.53358 0.00135
2.15200 1529.91100 1474.80761 0.00122
2.15300 1478.19000 1477.09328 0.00114
2.15400 1500.52000 1479.39076 0.00123
2.15500 1460.75200 1481.70022 0.00140
2.15600 1427.25600 1484.02183 0.00127
2.15700 1415.61800 1486.35576 0.00121
2.15800 1485.07700 1488.70220 0.00132
2.15900 1517.15900 1491.06134 0.00135
2.16000 1518.73800 1493.43335 0.00115
2.16100 1424.07500 1495.81842 0.00122
2.16200 1501.95800 1498.21677 0.00134
2.16300 1498.32600 1500.62857 0.00133
2.16400 1413.02700 1503.05407 0.00121
2.16500 1467.55800 1505.49347 0.00119
2.16600 1450.43300 1507.94696 0.00140
2.16700 1418.44800 1510.41478 0.00133
2.16800 1517.26500 1512.89719 0.00110
2.16900 1505.38300 1515.39438 0.00121
2.17000 1379.75200 1517.90661 0.00149
2.17100 1424.93800 1520.43413 0.00126
2.17200 1488.61600 1522.97719 0.00115
2.17300 1537.01900 1525.53604 0.00126
2.17400 1525.86300 1528.11097 0.00135
2.17500 1524.84400 1530.70224 0.00117
2.17600 1505.67000 1533.31012 0.00115
2.17700 1526.61900 1535.93493 0.00132
2.17800 1562.33300 1538.57691 0.00128
2.17900 1507.21100 1541.23644 0.00113
2.18000 1566.54100 1543.91376 0.00110
2.18100 1514.88800 1546.60923 0.00136
2.18200 1528.38600 1549.32316 0.00126
2.18300 1515.52900 1552.05591 0.00110
2.18400 1537.37400 1554.80779 0.00116
2.18500 1549.56500 1557.57921 0.00133
2.18600 1546.54700 1560.37047 0.00121
2.18700 1546.90700 1563.18200 0.00109
2.18800 1511.12600 1566.01415 0.00127
2.18900 1556.01100 1568.86733 0.00133
2.19000 1532.80800 1571.74196 0.00118
2.19100 1581.90500 1574.63843 0.00108
2.19200 1550.09600 1577.55719 0.00129
2.19300 1539.02400 1580.49869 0.00131
2.19400 1510.29600 1583.46336 0.00113
2.19500 1554.59400 1586.45168 0.00111
2.19600 1555.80700 1589.46416 0.00131
2.19700 1591.34800 1592.50125 0.00122
2.19800 1496.82500 1595.56348 0.00113
2.19900 1586.25800 1598.65137 0.00111
2.20000 1629.10900 1601.76548 0.00126
2.20100 1594.08800 1604.90635 0.00116
2.20200 1567.70700 1608.07454 0.00106
2.20300 1534.16000 1611.27066 0.00122
2.20400 1519.76900 1614.49530 0.00135
2.20500 1569.14900 1617.74909 0.00114
2.20600 1579.41800 1621.03270 0.00109
2.20700 1599.17300 1624.34677 0.00123
2.20800 1631.90100 1627.69199 0.00125
2.20900 1624.22800 1631.06906 0.00108
2.21000 1588.71400 1634.47870 0.00108
2.21100 1534.56000 1637.92168 0.00132
2.21200 1593.99400 1641.39876 0.00124
2.21300 1607.79000 1644.91075 0.00105
2.21400 1610.20900 1648.45846 0.00108
2.21500 1585.98100 1652.04274 0.00130
2.21600 1642.12800 1655.66448 0.00114
2.21700 1663.53700 1659.32457 0.00101
2.21800 1657.76300 1663.02396 0.00112
2.21900 1645.67200 1666.76360 0.00125
2.22000 1603.19500 1670.54450 0.00114
2.22100 1568.35300 1674.36769 0.00110
2.22200 1589.23900 1678.23423 0.00123
2.22300 1618.75300 1682.14522 0.00126
2.22400 1609.56500 1686.10180 0.00110
2.22500 1603.10700 1690.10514 0.00108
2.22600 1635.72300 1694.15646 0.00123
2.22700 1767.07200 1698.25705 0.00112
2.22800 1695.25500 1702.40817 0.00102
2.22900 1700.06100 1706.61118 0.00101
2.23000 1627.95500 1710.86749 0.00126
2.23100 1617.24400 1715.17855 0.00118
2.23200 1624.25100 1719.54584 0.00103
2.23300 1653.91600 1723.97091 0.00110
2.23400 1701.77500 1728.45541 0.00121
2.23500 1703.03000 1733.00097 0.00108
2.23600 1689.39400 1737.60932 0.00100
2.23700 1686.48300 1742.28229 0.00112
2.23800 1684.93000 1747.02170 0.00121
2.23900 1748.61900 1751.82951 0.00102
2.24000 1694.97500 1756.70773 0.00102
2.24100 1719.06200 1761.65841 0.00116
2.24200 1727.71800 1766.68377 0.00116
2.24300 1735.24500 1771.78600 0.00099
2.24400 1745.49400 1776.96751 0.00099
2.24500 1759.32600 1782.23065 0.00115
2.24600 1791.71600 1787.57803 0.00108
2.24700 1721.65500 1793.01223 0.00098
2.24800 1755.69900 1798.53602 0.00102
2.24900 1766.51700 1804.15224 0.00116
2.25000 1751.54700 1809.86386 0.00105
2.25100 1757.96400 1815.67401 0.00095
2.25200 1778.53000 1821.58588 0.00105
2.25300 1756.49200 1827.60287 0.00117
2.25400 1762.45700 1833.72848 0.00103
2.25500 1761.42100 1839.96638 0.00098
2.25600 1840.11700 1846.32042 0.00107
2.25700 1810.45800 1852.79459 0.00112
2.25800 1783.44800 1859.39307 0.00097
2.25900 1838.44500 1866.12024 0.00094
2.26000 1792.97600 1872.98070 0.00112
2.26100 1850.79200 1879.97921 0.00105
2.26200 1856.08100 1887.12080 0.00091
2.26300 1856.96300 1894.41072 0.00095
2.26400 1839.31700 1901.85450 0.00111
2.26500 1820.45800 1909.45791 0.00103
2.26600 1842.05700 1917.22700 0.00091
2.26700 1887.31500 1925.16815 0.00098
2.26800 1899.86000 1933.28805 0.00107
2.26900 1855.99000 1941.59373 0.00099
2.27000 1882.31100 1950.09260 0.00091
2.27100 1866.39600 1958.79243 0.00104
2.27200 1879.47600 1967.70144 0.00109
2.27300 1906.16100 1976.82826 0.00092
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2.68700 2007.57700 1863.80788 0.00096
2.68800 1998.82500 1862.62071 0.00083
2.68900 2006.18100 1861.43081 0.00088
2.69000 1918.06000 1860.23819 0.00107
2.69100 1920.28800 1859.04277 0.00096
2.69200 1932.72000 1857.84461 0.00087
2.69300 1999.12100 1856.64364 0.00094
2.69400 1997.90700 1855.43983 0.00103
2.69500 1970.94300 1854.23324 0.00092
2.69600 1927.42000 1853.02379 0.00089
2.69700 1910.20400 1851.81148 0.00103
2.69800 1947.41800 1850.59631 0.00104
2.69900 1977.00100 1849.37829 0.00087
2.70000 1958.03600 1848.15738 0.00088
2.70100 1947.89900 1846.93358 0.00104
2.70200 1982.01800 1845.70688 0.00099
2.70300 1972.74500 1844.47731 0.00086
2.70400 1944.68300 1843.24484 0.00091
2.70500 1969.52300 1842.00947 0.00104
2.70600 1951.94600 1840.77119 0.00095
2.70700 1938.12800 1839.53002 0.00086
2.70800 2000.30400 1838.28595 0.00093
2.70900 2036.48200 1837.03899 0.00100
2.71000 1997.65000 1835.78916 0.00091
2.71100 1971.32100 1834.53646 0.00087
2.71200 2028.06700 1833.28089 0.00094
2.71300 1969.73600 1832.02246 0.00103
2.71400 1996.02200 1830.76118 0.00088
2.71500 1949.55100 1829.49707 0.00089
2.71600 1975.03300 1828.23015 0.00101
2.71700 1950.43500 1826.96042 0.00102
2.71800 1987.54100 1825.68791 0.00085
2.71900 1960.41300 1824.41264 0.00089
2.72000 1916.78300 1823.13463 0.00106
2.72100 1988.92400 1821.85392 0.00095
2.72200 1944.82200 1820.57052 0.00087
2.72300 1895.16800 1819.28446 0.00096
2.72400 1940.34400 1817.99577 0.00105
2.72500 1938.62400 1816.70447 0.00096
2.72600 1951.88300 1815.41059 0.00087
2.72700 1940.86400 1814.11419 0.00099
2.72800 1936.82100 1812.81533 0.00106
2.72900 1989.87200 1811.51401 0.00089
2.73000 2044.23200 1810.21027 0.00084
2.73100 1982.49300 1808.90417 0.00099
2.73200 1943.73100 1807.59578 0.00102
2.73300 1957.27300 1806.28514 0.00087
2.73400 1966.88300 1804.97229 0.00088
2.73500 1935.87300 1803.65729 0.00105
2.73600 1890.51200 1802.34025 0.00102
2.73700 1935.57700 1801.02116 0.00085
2.73800 1879.96800 1799.70014 0.00095
2.73900 1883.07400 1798.37727 0.00109
2.74000 1939.46000 1797.05258 0.00095
2.74100 1906.42400 1795.72622 0.00090
2.74200 1957.88300 1794.39822 0.00096
2.74300 1861.54200 1793.06871 0.00111
2.74400 1923.80000 1791.73776 0.00093
2.74500 1901.62900 1790.40549 0.00091
2.74600 1927.94300 1789.07198 0.00102
2.74700 1849.35600 1787.73685 0.00110
2.74800 1849.77500 1786.39869 0.00093
2.74900 1920.96000 1785.05661 0.00089
2.75000 1914.64400 1783.71060 0.00106
2.75100 1922.32500 1782.36075 0.00101
2.75200 1924.34800 1781.00703 0.00088
2.75300 1946.25800 1779.64959 0.00090
2.75400 1912.46500 1778.28841 0.00107
2.75500 1934.54200 1776.92358 0.00096
2.75600 1915.37300 1775.55520 0.00087
2.75700 1879.94000 1774.18330 0.00099
2.75800 1858.56600 1772.80800 0.00111
2.75900 1860.47700 1771.42942 0.00098
2.76000 1890.95800 1770.04762 0.00091
2.76100 1878.28800 1768.66273 0.00104
2.76200 1959.05400 1767.27493 0.00103
2.76300 1900.46500 1765.88434 0.00093
2.76400 1824.09100 1764.49112 0.00095
2.76500 1821.85300 1763.09546 0.00110
2.76600 1849.10700 1761.69756 0.00107
2.76700 1854.98800 1760.29769 0.00091
2.76800 1870.83300 1758.89607 0.00093
2.76900 1828.67600 1757.49300 0.00112
2.77000 1811.33800 1756.08878 0.00105
2.77100 1832.93900 1754.68379 0.00092
2.77200 1870.56900 1753.27843 0.00097
2.77300 1806.98900 1751.87316 0.00114
2.77400 1818.62900 1750.46848 0.00101
2.77500 1841.74000 1749.06499 0.00093
2.77600 1835.58300 1747.66333 0.00105
2.77700 1885.87200 1746.26427 0.00108
2.77800 1857.62400 1744.86864 0.00096
2.77900 1880.82800 1743.47744 0.00091
2.78000 1872.07500 1742.09179 0.00106
2.78100 1899.31100 1740.71301 0.00105
2.78200 1883.28000 1739.34265 0.00091
2.78300 1907.16500 1737.98255 0.00091
2.78400 1925.13300 1736.63499 0.00105
2.78500 1904.87800 1735.30292 0.00101
2.78600 1877.60700 1733.99139 0.00090
2.78700 1907.45600 1732.71006 0.00095
2.78800 1918.20500 1731.46920 0.00108
2.78900 1958.58400 1730.27921 0.00094
2.79000 1881.84300 1729.15477 0.00091
2.79100 1932.56200 1728.11766 0.00098
2.79200 1909.26100 1727.19593 0.00107
2.79300 1949.21100 1726.42383 0.00091
2.79400 1926.43300 1725.84445 0.00089
2.79500 1986.20200 1725.51002 0.00099
2.79600 2020.12600 1725.48121 0.00099
2.79700 1949.77100 1725.82492 0.00089
2.79800 1954.41400 1726.61030 0.00088
2.79900 2031.77000 1727.90267 0.00100
2.80000 2029.11200 1729.75629 0.00096
2.80100 2093.17900 1732.20744 0.00080
2.80200 2076.87700 1735.27094 0.00085
2.80300 1989.93200 1738.94185 0.00102
2.80400 1965.09200 1743.20068 0.00094
2.80500 2140.98500 1748.02010 0.00078
2.80600 2136.12300 1753.37067 0.00088
2.80700 2101.49000 1759.22491 0.00098
2.80800 2211.46300 1765.56011 0.00081
2.80900 2137.96600 1772.35934 0.00081
2.81000 2267.58200 1779.61197 0.00087
2.81100 2268.02000 1787.31271 0.00089
2.81200 2216.56400 1795.46054 0.00078
2.81300 2297.81100 1804.05654 0.00075
2.81400 2373.90200 1813.10132 0.00085
2.81500 2394.23800 1822.59045 0.00082
2.81600 2321.72100 1832.50546 0.00073
2.81700 2385.81700 1842.78932 0.00074
2.81800 2449.39700 1853.23255 0.00084
2.81900 2491.52700 1863.45889 0.00075
2.82000 2462.40800 1874.55922 0.00068
2.82100 2475.22400 1888.68607 0.00075
2.82200 2569.64800 1903.72551 0.00081
2.82300 2692.59300 1919.47322 0.00067
2.82400 2691.85300 1935.92442 0.00063
2.82500 2607.35300 1953.05727 0.00074
2.82600 2700.37400 1970.82879 0.00075
2.82700 2645.94500 1989.17209 0.00067
2.82800 2720.87000 2007.99572 0.00063
2.82900 2775.05100 2027.18663 0.00072
2.83000 2865.33800 2046.61761 0.00069
2.83100 2839.23500 2066.16069 0.00060
2.83200 2884.15300 2085.70666 0.00060
2.83300 2961.09900 2105.18848 0.00068
2.83400 3090.71500 2124.60173 0.00061
2.83500 3097.86100 2144.01432 0.00054
2.83600 3158.81700 2163.56236 0.00057
2.83700 3138.63500 2183.43712 0.00065
2.83800 3165.16900 2203.87083 0.00057
2.83900 3063.71900 2225.12707 0.00055
2.84000 3209.51900 2247.49793 0.00059
2.84100 3268.18900 2271.30957 0.00062
2.84200 3378.90700 2296.93918 0.00052
2.84300 3352.17300 2324.85503 0.00051
2.84400 3384.98200 2355.75634 0.00058
2.84500 3425.00200 2390.64239 0.00058
2.84600 3486.11000 2429.05175 0.00049
2.84700 3568.40500 2469.07790 0.00048
2.84800 3564.14700 2513.98371 0.00057
2.84900 3623.08100 2564.68527 0.00053
2.85000 3603.81600 2621.69847 0.00046
2.85100 3620.51800 2685.08954 0.00049
2.85200 3695.80900 2754.16288 0.00054
2.85300 3685.48800 2827.12006 0.00050
2.85400 3861.08300 2900.75329 0.00043
2.85500 3813.33600 2970.24911 0.00049
2.85600 3856.55000 3029.17334 0.00053
2.85700 3939.99300 3069.71026 0.00045
2.85800 3908.52100 3083.29059 0.00044
2.85900 3879.99600 3061.88774 0.00050
2.86000 3843.44400 3000.26631 0.00052
2.86100 3760.37600 2898.77512 0.00046
2.86200 3536.58900 2764.90763 0.00049
2.86300 3396.71000 2611.69426 0.00059
2.86400 3099.55200 2453.53691 0.00063
2.86500 2697.05900 2302.42451 0.00063
2.86600 2266.28200 2166.36858 0.00078
2.86700 2139.47700 2049.58340 0.00095
2.86800 1961.20600 1953.29792 0.00097
2.86900 1918.36200 1876.61796 0.00087
2.87000 1787.16900 1817.30155 0.00103
2.87100 1738.92000 1772.42901 0.00119
2.87200 1695.50200 1738.94173 0.00108
2.87300 1706.98800 1714.02077 0.00100
2.87400 1679.63400 1695.30002 0.00115
2.87500 1610.68500 1680.93687 0.00127
2.87600 1630.75800 1669.58310 0.00107
2.87700 1603.98800 1660.30148 0.00108
2.87800 1594.98100 1652.46565 0.00126
2.87900 1492.00700 1645.66758 0.00134
2.88000 1552.53200 1639.64337 0.00107
2.88100 1493.87100 1634.22025 0.00117
2.88200 1544.47600 1629.28137 0.00133
2.88300 1519.36400 1624.74382 0.00127
2.88400 1525.37500 1620.54587 0.00109
2.88500 1512.40300 1616.63940 0.00119
2.88600 1488.40300 1612.98557 0.00137
2.88700 1503.44200 1609.55236 0.00122
2.88800 1507.38900 1606.31296 0.00112
2.88900 1512.89500 1603.24468 0.00126
2.89000 1397.33000 1600.32813 0.00148
2.89100 1481.35900 1597.54672 0.00119
2.89200 1482.73400 1594.88616 0.00117
2.89300 1496.55700 1592.33408 0.00133
2.89400 1447.69100 1589.87975 0.00139
2.89500 1441.64500 1587.51378 0.00118
2.89600 1392.50500 1585.22799 0.00124
2.89700 1394.30800 1583.01519 0.00147
2.89800 1418.44200 1580.86906 0.00137
2.89900 1429.76100 1578.78401 0.00119
2.90000 1472.31600 1576.75511 0.00122
2.90100 1432.11300 1574.77797 0.00143
2.90200 1444.67900 1572.84870 0.00126
2.90300 1452.36400 1570.96382 0.00115
2.90400 1460.99000 1569.12025 0.00129
2.90500 1434.09700 1567.31520 0.00144
2.90600 1426.15100 1565.54619 0.00127
2.90700 1394.97600 1563.81101 0.00123
2.90800 1380.17100 1562.10765 0.00142
2.90900 1378.33000 1560.43430 0.00147
2.91000 1392.22200 1558.78936 0.00125
2.91100 1363.19000 1557.17137 0.00128
2.91200 1362.17300 1555.57900 0.00150
2.91300 1359.80100 1554.01109 0.00144
2.91400 1402.58200 1552.46657 0.00118
2.91500 1335.60100 1550.94448 0.00133
2.91600 1361.80100 1549.44393 0.00151
2.91700 1406.00400 1547.96416 0.00132
2.91800 1414.45100 1546.50446 0.00118
2.91900 1360.61500 1545.06423 0.00136
2.92000 1309.98200 1543.64286 0.00158
2.92100 1345.72500 1542.23987 0.00134
2.92200 1351.93000 1540.85481 0.00127
2.92300 1341.16800 1539.48729 0.00146
2.92400 1424.50700 1538.13693 0.00142
2.92500 1369.33700 1536.80344 0.00130
2.92600 1372.21400 1535.48657 0.00126
2.92700 1381.99700 1534.18604 0.00145
2.92800 1341.51200 1532.90171 0.00149
2.92900 1347.63200 1531.63337 0.00126
2.93000 1356.67100 1530.38089 0.00129
2.93100 1355.36200 1529.14420 0.00150
2.93200 1346.26400 1527.92316 0.00142
2.93300 1348.26400 1526.71779 0.00125
2.93400 1358.07000 1525.52798 0.00133
2.93500 1343.66300 1524.35381 0.00153
2.93600 1385.18400 1523.19521 0.00131
2.93700 1352.88000 1522.05228 0.00124
2.93800 1358.17500 1520.92503 0.00142
2.93900 1392.25900 1519.81356 0.00148
2.94000 1391.65400 1518.71796 0.00127
2.94100 1357.84100 1517.63832 0.00126
2.94200 1320.00200 1516.57481 0.00152
2.94300 1352.24400 1515.52752 0.00149
2.94400 1328.97200 1514.49666 0.00129
2.94500 1316.10800 1513.48239 0.00130
2.94600 1326.75900 1512.48489 0.00155
2.94700 1364.08900 1511.50439 0.00143
2.94800 1342.62200 1510.54112 0.00125
2.94900 1338.14400 1509.59530 0.00133
2.95000 1352.32900 1508.66719 0.00152
2.95100 1340.27500 1507.75709 0.00139
2.95200 1358.02800 1506.86527 0.00123
2.95300 1298.67600 1505.99202 0.00144
2.95400 1310.27500 1505.13767 0.00158
2.95500 1333.17000 1504.30255 0.00137
2.95600 1344.03100 1503.48704 0.00129
2.95700 1351.03400 1502.69148 0.00146
2.95800 1319.54800 1501.91626 0.00153
2.95900 1280.67900 1501.16177 0.00136
2.96000 1302.99900 1500.42844 0.00132
2.96100 1302.75700 1499.71670 0.00155
2.96200 1311.25700 1499.02701 0.00150
2.96300 1305.11700 1498.35983 0.00130
2.96400 1314.79900 1497.71566 0.00134
2.96500 1386.99200 1497.09501 0.00148
2.96600 1326.53700 1496.49840 0.00143
2.96700 1288.19100 1495.92639 0.00129
2.96800 1281.18300 1495.37954 0.00145
2.96900 1295.04000 1494.85844 0.00160
2.97000 1336.10100 1494.36372 0.00136
2.97100 1359.13200 1493.89599 0.00126
2.97200 1327.85600 1493.45594 0.00145
2.97300 1301.68600 1493.04423 0.00157
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2.97600 1297.92400 1491.98646 0.00155
2.97700 1330.11900 1491.69555 0.00150
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2.98000 1333.56400 1491.01932 0.00153
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2.98300 1276.56800 1490.65688 0.00141
2.98400 1273.97900 1490.61033 0.00162
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2.98700 1287.25800 1490.70847 0.00149
2.98800 1312.92700 1490.82429 0.00156
2.98900 1327.56200 1490.98370 0.00135
2.99000 1330.68900 1491.18797 0.00129
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3.00000 1378.76000 1496.02427 0.00133
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3.04300 1510.02900 1640.48565 0.00115
3.04400 1527.30000 1648.88385 0.00132
3.04500 1579.36100 1657.71235 0.00121
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3.04700 1552.71800 1676.76828 0.00115
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3.06000 1719.28700 1867.57442 0.00114
3.06100 1860.59800 1889.63523 0.00090
3.06200 1763.67000 1913.69846 0.00100
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3.06900 2184.06400 2127.59891 0.00078
3.07000 2279.41400 2168.64638 0.00086
3.07100 2354.00900 2213.57301 0.00086
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3.07300 2600.98400 2317.92407 0.00066
3.07400 2745.86600 2379.50444 0.00073
3.07500 2804.39400 2449.63388 0.00070
3.07600 2963.47100 2531.05913 0.00057
3.07700 3248.70000 2627.76829 0.00054
3.07800 3535.30800 2745.32200 0.00058
3.07900 3748.13200 2891.03526 0.00049
3.08000 3974.21700 3073.82469 0.00041
3.08100 4255.11600 3303.47697 0.00043
3.08200 4562.51700 3589.12710 0.00045
3.08300 4991.97500 3937.17364 0.00035
3.08400 5619.86700 4349.71963 0.00030
3.08500 6155.53600 4824.72396 0.00031
3.08600 6521.73200 5357.65420 0.00031
3.08700 6966.06000 5943.34962 0.00024
3.08800 7262.41000 6577.26572 0.00023
3.08900 8041.54800 7256.05853 0.00025
3.09000 8801.18100 7977.72005 0.00022
3.09100 9499.86900 8741.45465 0.00017
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