#------------------------------------------------------------------------------
#$Date: 2017-09-22 05:14:28 +0300 (Fri, 22 Sep 2017) $
#$Revision: 201157 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/92/7229224.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_7229224
loop_
_publ_author_name
'Shemchuk, Oleksii'
'Degli Esposti, Lorenzo'
'Grepioni, Fabrizia'
'Braga, Dario'
_publ_section_title
;
 Ionic co-crystals of enantiopure and racemic histidine with calcium
 halides
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE01326D
_journal_year                    2017
_chemical_formula_moiety         'C12 H18 N6 O4, Ca1 I2, H8 O4'
_chemical_formula_sum            'C12 H26 Ca I2 N6 O8'
_chemical_formula_weight         676.26
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'I 2y'
_symmetry_space_group_name_H-M   'I 1 2 1'
_audit_update_record
;
2017-07-19 deposited with the CCDC.
2017-09-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.3744(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.7254(3)
_cell_length_b                   4.87733(7)
_cell_length_c                   14.9091(2)
_cell_measurement_temperature    298
_cell_volume                     1206.15(3)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Panalytical XPert PRO'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_exptl_crystal_density_diffrn    1.840
_pd_char_colour                  white
_pd_proc_ls_prof_R_factor        0.0342
_pd_proc_ls_prof_wR_expected     0.0304
_pd_proc_ls_prof_wR_factor       0.0440
_refine_ls_goodness_of_fit_all   1.44467
_refine_ls_number_parameters     0.000000
_refine_ls_R_I_factor            0.0277
_refine_ls_shift/su_max          0.00789428767
_cod_data_source_file            c7ce01326d2.cif
_cod_data_source_block           LHis_CaI2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        1206.16(3)
_cod_original_sg_symbol_Hall     ' I 2y '
_cod_original_sg_symbol_H-M      'I 2'
_cod_original_formula_sum        'C12 H26 Ca1 I2 N6 O8'
_cod_database_code               7229224
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, y, -z '
'x+1/2, y+1/2, z+1/2 '
'-x+1/2, y+1/2, -z+1/2 '
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
C1 C 4 0.6148(3) 0.5382(16) 0.4267(3) 1 2
C2 C 4 0.6795(5) 0.420(3) 0.3722(6) 1 2
C3 C 4 0.6400(9) 0.299(4) 0.2821(8) 1 2
C4 C 4 0.5975(12) 0.512(6) 0.2205(5) 1 2
C5 C 4 0.584(2) 0.824(9) 0.1180(12) 1 2
C6 C 4 0.5194(14) 0.598(8) 0.2120(10) 1 2
N1 N 4 0.7263(9) 0.203(4) 0.4266(10) 1 2
N2 N 4 0.6386(19) 0.655(8) 0.1606(10) 1 2
N3 N 4 0.512(2) 0.797(10) 0.1460(11) 1 2
O1 O 4 0.6078(6) 0.7930(16) 0.4283(7) 1 2
O2 O 4 0.5762(5) 0.368(2) 0.4667(6) 1 2
H1 H 4 0.7167(5) 0.587(3) 0.3525(7) 1 2.4
H2 H 4 0.5914(11) 0.162(4) 0.2957(13) 1 2.4
H3 H 4 0.6852(12) 0.183(5) 0.2517(11) 1 2.4
H4 H 4 0.597(3) 0.969(11) 0.0661(18) 1 2.4
H5 H 4 0.4723(10) 0.524(9) 0.2499(15) 1 2.4
H6 H 4 0.468(2) 0.887(11) 0.1264(15) 1 2.4
H7 H 4 0.6938(12) 0.072(3) 0.4387(14) 1 2.4
H8 H 4 0.7627(10) 0.136(4) 0.3959(12) 1 2.4
H9 H 4 0.7497(8) 0.273(5) 0.4768(9) 1 2.4
Ow O 4 0.5892(8) 0.010(3) 0.6461(9) 1 2
Ow2 O 4 0.6646(7) 0.499(3) 0.7017(9) 1 2
I I 4 0.82435(10) 0.6922(12) 0.58505(11) 1 1.69557
Ca Ca 2 0.5 0.0 0.5 1 0.22426
loop_
_pd_proc_point_id
_pd_meas_2theta_scan
_pd_proc_intensity_total
_pd_calc_intensity_total
_pd_proc_ls_weight
1 4.99807 2003.58322 2125.20996 0.00047
2 5.01107 2002.14394 2162.25000 0.00046
3 5.02407 2000.69620 2190.23999 0.00046
4 5.03707 1999.24005 2180.89014 0.00046
5 5.05007 1997.77558 2143.68994 0.00047
6 5.06307 1996.30286 2143.68994 0.00047
7 5.07607 1994.82196 2079.35986 0.00048
8 5.08907 1993.33295 2061.16016 0.00049
9 5.10207 1991.83590 2116.00000 0.00047
10 5.11507 1990.33089 2088.48999 0.00048
11 5.12807 1988.81798 1998.09009 0.00050
12 5.14107 1987.29725 2007.03992 0.00050
13 5.15407 1985.76877 2061.16016 0.00049
14 5.16707 1984.23260 2025.00000 0.00049
15 5.18007 1982.68883 2016.01013 0.00050
16 5.19307 1981.13751 2034.00989 0.00049
17 5.20607 1979.57871 2079.35986 0.00048
18 5.21907 1978.01252 2070.25000 0.00048
19 5.23207 1976.43898 2052.08984 0.00049
20 5.24507 1974.85818 2061.16016 0.00049
21 5.25807 1973.27018 2025.00000 0.00049
22 5.27107 1971.67505 2016.01013 0.00050
23 5.28407 1970.07286 1998.09009 0.00050
24 5.29707 1968.46367 2016.01013 0.00050
25 5.31007 1966.84755 1989.15991 0.00050
26 5.32307 1965.22457 1971.36011 0.00051
27 5.33607 1963.59479 1971.36011 0.00051
28 5.34907 1961.95828 1971.36011 0.00051
29 5.36207 1960.31511 1927.21008 0.00052
30 5.37507 1958.66535 1962.48999 0.00051
31 5.38807 1957.00905 1980.25000 0.00050
32 5.40107 1955.34628 1989.15991 0.00050
33 5.41407 1953.67711 1989.15991 0.00050
34 5.42707 1952.00160 1953.64001 0.00051
35 5.44007 1950.31982 2007.03992 0.00050
36 5.45307 1948.63183 2034.00989 0.00049
37 5.46607 1946.93770 2034.00989 0.00049
38 5.47907 1945.23748 1944.80981 0.00051
39 5.49207 1943.53125 2061.16016 0.00049
40 5.50507 1941.81906 2034.00989 0.00049
41 5.51807 1940.10099 1944.80981 0.00051
42 5.53107 1938.37709 2052.08984 0.00049
43 5.54407 1936.64743 1840.41016 0.00054
44 5.55707 1934.91207 2007.03992 0.00050
45 5.57007 1933.17107 1953.64001 0.00051
46 5.58307 1931.42451 1944.80981 0.00051
47 5.59607 1929.67243 1857.60986 0.00054
48 5.60907 1927.91490 1962.48999 0.00051
49 5.62207 1926.15198 1892.25000 0.00053
50 5.63507 1924.38374 1909.69006 0.00052
51 5.64807 1922.61023 1962.48999 0.00051
52 5.66107 1920.83152 1971.36011 0.00051
53 5.67407 1919.04768 1980.25000 0.00050
54 5.68707 1917.25876 1892.25000 0.00053
55 5.70007 1915.46483 2025.00000 0.00049
56 5.71307 1913.66595 1962.48999 0.00051
57 5.72607 1911.86220 1900.95984 0.00053
58 5.73907 1910.05367 1874.88989 0.00053
59 5.75207 1908.24041 1918.43994 0.00052
60 5.76507 1906.42252 1936.00000 0.00052
61 5.77807 1904.60008 1971.36011 0.00051
62 5.79107 1902.77319 1927.21008 0.00052
63 5.80407 1900.94172 1900.95984 0.00053
64 5.81707 1899.10557 1909.69006 0.00052
65 5.83007 1897.26464 1900.95984 0.00053
66 5.84307 1895.41904 1849.00000 0.00054
67 5.85607 1893.56904 1883.56018 0.00053
68 5.86907 1891.71471 1874.88989 0.00053
69 5.88207 1889.85612 1849.00000 0.00054
70 5.89507 1887.99335 1953.64001 0.00051
71 5.90807 1886.12645 1849.00000 0.00054
72 5.92107 1884.25548 1831.83997 0.00055
73 5.93407 1882.38050 1866.24011 0.00054
74 5.94707 1880.50155 1874.88989 0.00053
75 5.96007 1878.61870 1866.24011 0.00054
76 5.97307 1876.73200 1866.24011 0.00054
77 5.98607 1874.84150 1874.88989 0.00053
78 5.99907 1872.94726 1900.95984 0.00053
79 6.01207 1871.04934 1840.41016 0.00054
80 6.02507 1869.14779 1849.00000 0.00054
81 6.03807 1867.24265 1789.28992 0.00056
82 6.05107 1865.33399 1814.75989 0.00055
83 6.06407 1863.42186 1857.60986 0.00054
84 6.07707 1861.50632 1840.41016 0.00054
85 6.09007 1859.58742 1857.60986 0.00054
86 6.10307 1857.66521 1823.29004 0.00055
87 6.11607 1855.73977 1789.28992 0.00056
88 6.12907 1853.81115 1814.75989 0.00055
89 6.14207 1851.87941 1814.75989 0.00055
90 6.15507 1849.94462 1780.84009 0.00056
91 6.16807 1848.00688 1823.29004 0.00055
92 6.18107 1846.06627 1806.25000 0.00055
93 6.19407 1844.12283 1780.84009 0.00056
94 6.20707 1842.17655 1772.40991 0.00056
95 6.22007 1840.22738 1755.61011 0.00057
96 6.23307 1838.27497 1806.25000 0.00055
97 6.24607 1836.31959 1840.41016 0.00054
98 6.25907 1834.36136 1814.75989 0.00055
99 6.27207 1832.40040 1823.29004 0.00055
100 6.28507 1830.43680 1849.00000 0.00054
101 6.29807 1828.47063 1814.75989 0.00055
102 6.31107 1826.50194 1789.28992 0.00056
103 6.32407 1824.53078 1789.28992 0.00056
104 6.33707 1822.55724 1772.40991 0.00056
105 6.35007 1820.58141 1814.75989 0.00055
106 6.36307 1818.60339 1814.75989 0.00055
107 6.37607 1816.62330 1789.28992 0.00056
108 6.38907 1814.64140 1806.25000 0.00055
109 6.40207 1812.65793 1831.83997 0.00055
110 6.41507 1810.67295 1814.75989 0.00055
111 6.42807 1808.68653 1747.23999 0.00057
112 6.44107 1806.69886 1764.00000 0.00057
113 6.45407 1804.71000 1738.89001 0.00058
114 6.46707 1802.71975 1738.89001 0.00058
115 6.48007 1800.72814 1764.00000 0.00057
116 6.49307 1798.73521 1797.76013 0.00056
117 6.50607 1796.74133 1789.28992 0.00056
118 6.51907 1794.74640 1755.61011 0.00057
119 6.53207 1792.75058 1713.96008 0.00058
120 6.54507 1790.75404 1722.25000 0.00058
121 6.55807 1788.75761 1780.84009 0.00056
122 6.57107 1786.76146 1780.84009 0.00056
123 6.58407 1784.76593 1764.00000 0.00057
124 6.59707 1782.77151 1738.89001 0.00058
125 6.61007 1780.78005 1730.55981 0.00058
126 6.62307 1778.79348 1730.55981 0.00058
127 6.63607 1776.81228 1705.68994 0.00059
128 6.64907 1774.83701 1664.63989 0.00060
129 6.66207 1772.86890 1681.00000 0.00059
130 6.67507 1770.90180 1672.81018 0.00060
131 6.68807 1768.92339 1689.20984 0.00059
132 6.70107 1766.92464 1681.00000 0.00059
133 6.71407 1764.89370 1755.61011 0.00057
134 6.72707 1762.81227 1747.23999 0.00057
135 6.74007 1760.70938 1713.96008 0.00058
136 6.75307 1758.59851 1713.96008 0.00058
137 6.76607 1756.49292 1713.96008 0.00058
138 6.77907 1754.41338 1738.89001 0.00058
139 6.79207 1752.35244 1705.68994 0.00059
140 6.80507 1750.30438 1747.23999 0.00057
141 6.81807 1748.26532 1747.23999 0.00057
142 6.83107 1746.23152 1697.44006 0.00059
143 6.84407 1744.19904 1672.81018 0.00060
144 6.85707 1742.16694 1697.44006 0.00059
145 6.87007 1740.13502 1713.96008 0.00058
146 6.88307 1738.10341 1664.63989 0.00060
147 6.89607 1736.07206 1697.44006 0.00059
148 6.90907 1734.04086 1689.20984 0.00059
149 6.92207 1732.00992 1632.16016 0.00061
150 6.93507 1729.97946 1722.25000 0.00058
151 6.94807 1727.94990 1738.89001 0.00058
152 6.96107 1725.92101 1640.25000 0.00061
153 6.97407 1723.89285 1713.96008 0.00058
154 6.98707 1721.86495 1664.63989 0.00060
155 7.00007 1719.83873 1697.44006 0.00059
156 7.01307 1717.81431 1656.49011 0.00060
157 7.02607 1715.79234 1648.35986 0.00061
158 7.03907 1713.77383 1730.55981 0.00058
159 7.05207 1711.76312 1632.16016 0.00061
160 7.06507 1709.77004 1697.44006 0.00059
161 7.07807 1707.80970 1656.49011 0.00060
162 7.09107 1705.90501 1632.16016 0.00061
163 7.10407 1704.11605 1656.49011 0.00060
164 7.11707 1702.59919 1624.08997 0.00062
165 7.13007 1701.42631 1681.00000 0.00059
166 7.14307 1700.66337 1681.00000 0.00059
167 7.15607 1700.40427 1608.00989 0.00062
168 7.16907 1700.75178 1632.16016 0.00061
169 7.18207 1701.45316 1624.08997 0.00062
170 7.19507 1702.47519 1624.08997 0.00062
171 7.20807 1703.78951 1656.49011 0.00060
172 7.22107 1705.51651 1689.20984 0.00059
173 7.23407 1707.59750 1697.44006 0.00059
174 7.24707 1710.06341 1713.96008 0.00058
175 7.26007 1712.96168 1713.96008 0.00058
176 7.27307 1716.53936 1689.20984 0.00059
177 7.28607 1720.90753 1664.63989 0.00060
178 7.29907 1726.13768 1681.00000 0.00059
179 7.31207 1732.41294 1747.23999 0.00057
180 7.32507 1740.29336 1764.00000 0.00057
181 7.33807 1750.82663 1840.41016 0.00054
182 7.35107 1764.47472 1892.25000 0.00053
183 7.36407 1782.10013 1927.21008 0.00052
184 7.37707 1805.15910 1962.48999 0.00051
185 7.39007 1837.19055 2088.48999 0.00048
186 7.40307 1874.14521 2227.84009 0.00045
187 7.41607 1910.38213 2420.64014 0.00041
188 7.42907 1939.19432 2621.44019 0.00038
189 7.44207 1928.43582 2631.68994 0.00038
190 7.45507 1881.47672 2401.00000 0.00042
191 7.46807 1815.44069 2052.08984 0.00049
192 7.48107 1744.89299 1806.25000 0.00055
193 7.49407 1695.28224 1624.08997 0.00062
194 7.50707 1666.07587 1616.04004 0.00062
195 7.52007 1649.23533 1608.00989 0.00062
196 7.53307 1640.79722 1544.48999 0.00065
197 7.54607 1636.75644 1584.03992 0.00063
198 7.55907 1633.96420 1608.00989 0.00062
199 7.57207 1631.55744 1600.00000 0.00063
200 7.58507 1629.33376 1592.01013 0.00063
201 7.59807 1627.19541 1576.09009 0.00063
202 7.61107 1625.10121 1624.08997 0.00062
203 7.62407 1623.01573 1600.00000 0.00063
204 7.63707 1620.92218 1576.09009 0.00063
205 7.65007 1618.78368 1608.00989 0.00062
206 7.66307 1616.63320 1592.01013 0.00063
207 7.67607 1614.48160 1568.15991 0.00064
208 7.68907 1612.34398 1521.00000 0.00066
209 7.70207 1610.24386 1552.36011 0.00064
210 7.71507 1608.17409 1552.36011 0.00064
211 7.72807 1606.12387 1552.36011 0.00064
212 7.74107 1604.08745 1584.03992 0.00063
213 7.75407 1602.05999 1616.04004 0.00062
214 7.76707 1600.03829 1536.64001 0.00065
215 7.78007 1598.02124 1505.43994 0.00066
216 7.79307 1596.00793 1497.69006 0.00067
217 7.80607 1593.99801 1482.25000 0.00067
218 7.81907 1591.99134 1513.21008 0.00066
219 7.83207 1589.98789 1513.21008 0.00066
220 7.84507 1587.98719 1505.43994 0.00066
221 7.85807 1585.98921 1552.36011 0.00064
222 7.87107 1583.99407 1568.15991 0.00064
223 7.88407 1582.00187 1466.88989 0.00068
224 7.89707 1580.01231 1482.25000 0.00067
225 7.91007 1578.02540 1513.21008 0.00066
226 7.92307 1576.04133 1552.36011 0.00064
227 7.93607 1574.06019 1592.01013 0.00063
228 7.94907 1572.08186 1536.64001 0.00065
229 7.96207 1570.10640 1560.25000 0.00064
230 7.97507 1568.13414 1505.43994 0.00066
231 7.98807 1566.16537 1528.80994 0.00065
232 8.00107 1564.20009 1560.25000 0.00064
233 8.01407 1562.23843 1521.00000 0.00066
234 8.02707 1560.28069 1528.80994 0.00065
235 8.04007 1558.32740 1568.15991 0.00064
236 8.05307 1556.37844 1513.21008 0.00066
237 8.06607 1554.43406 1497.69006 0.00067
238 8.07907 1552.49468 1474.56006 0.00068
239 8.09207 1550.56274 1505.43994 0.00066
240 8.10507 1548.63873 1544.48999 0.00065
241 8.11807 1546.72577 1513.21008 0.00066
242 8.13107 1544.82866 1513.21008 0.00066
243 8.14407 1542.97346 1576.09009 0.00063
244 8.15707 1541.21167 1536.64001 0.00065
245 8.17007 1539.61409 1497.69006 0.00067
246 8.18307 1538.26403 1482.25000 0.00067
247 8.19607 1537.39974 1497.69006 0.00067
248 8.20907 1537.22065 1459.24011 0.00069
249 8.22207 1537.60380 1513.21008 0.00066
250 8.23507 1538.51921 1459.24011 0.00069
251 8.24807 1539.95265 1505.43994 0.00066
252 8.26107 1541.90584 1482.25000 0.00067
253 8.27407 1544.24642 1459.24011 0.00069
254 8.28707 1547.00232 1536.64001 0.00065
255 8.30007 1550.24748 1489.95984 0.00067
256 8.31307 1554.40988 1466.88989 0.00068
257 8.32607 1559.41983 1466.88989 0.00068
258 8.33907 1565.46397 1521.00000 0.00066
259 8.35207 1572.75733 1489.95984 0.00067
260 8.36507 1582.43600 1560.25000 0.00064
261 8.37807 1595.38853 1568.15991 0.00064
262 8.39107 1612.59565 1576.09009 0.00063
263 8.40407 1635.22069 1648.35986 0.00061
264 8.41707 1666.64829 1689.20984 0.00059
265 8.43007 1706.26359 1764.00000 0.00057
266 8.44307 1743.93399 1823.29004 0.00055
267 8.45607 1769.10508 1962.48999 0.00051
268 8.46907 1762.39834 1849.00000 0.00054
269 8.48207 1705.16456 1705.68994 0.00059
270 8.49507 1637.23000 1672.81018 0.00060
271 8.50807 1572.67273 1513.21008 0.00066
272 8.52107 1524.85446 1466.88989 0.00068
273 8.53407 1503.27491 1528.80994 0.00065
274 8.54707 1491.15673 1521.00000 0.00066
275 8.56007 1484.96343 1459.24011 0.00069
276 8.57307 1481.60188 1466.88989 0.00068
277 8.58607 1479.21272 1482.25000 0.00067
278 8.59907 1477.01238 1413.75989 0.00071
279 8.61207 1474.91373 1413.75989 0.00071
280 8.62507 1472.87638 1406.25000 0.00071
281 8.63807 1470.88756 1413.75989 0.00071
282 8.65107 1468.93090 1421.29004 0.00070
283 8.66407 1466.99503 1398.76013 0.00071
284 8.67707 1465.07663 1376.40991 0.00073
285 8.69007 1463.17378 1444.00000 0.00069
286 8.70307 1461.28485 1482.25000 0.00067
287 8.71607 1459.40521 1428.83997 0.00070
288 8.72907 1457.53416 1436.41016 0.00070
289 8.74207 1455.67103 1459.24011 0.00069
290 8.75507 1453.81659 1451.60986 0.00069
291 8.76807 1451.96836 1406.25000 0.00071
292 8.78107 1450.12584 1436.41016 0.00070
293 8.79407 1448.28871 1413.75989 0.00071
294 8.80707 1446.45720 1383.84009 0.00072
295 8.82007 1444.63051 1459.24011 0.00069
296 8.83307 1442.80831 1474.56006 0.00068
297 8.84607 1440.99047 1436.41016 0.00070
298 8.85907 1439.17708 1451.60986 0.00069
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1812 28.54107 976.32031 998.56000 0.00100
1813 28.55407 984.98714 992.25000 0.00101
1814 28.56707 996.29462 1011.23993 0.00099
1815 28.58007 1010.00423 1049.76013 0.00095
1816 28.59307 1026.75439 1069.29004 0.00094
1817 28.60607 1048.84492 1089.00000 0.00092
1818 28.61907 1078.72326 1135.69006 0.00088
1819 28.63207 1151.10690 1190.25000 0.00084
1820 28.64507 1286.97937 1361.61011 0.00073
1821 28.65807 1508.05693 1624.08997 0.00062
1822 28.67107 1835.15333 1918.43994 0.00052
1823 28.68407 2356.50935 2430.48999 0.00041
1824 28.69707 2955.60931 3080.25000 0.00032
1825 28.71007 3545.81892 3648.16016 0.00027
1826 28.72307 4043.24613 4019.56030 0.00025
1827 28.73607 4124.89793 4251.03955 0.00024
1828 28.74907 3928.21320 4083.21021 0.00024
1829 28.76207 3570.56750 3708.81030 0.00027
1830 28.77507 3165.66134 3340.83984 0.00030
1831 28.78807 2902.33819 3069.16016 0.00033
1832 28.80107 2670.25185 2724.84009 0.00037
1833 28.81407 2426.37199 2550.25000 0.00039
1834 28.82707 2127.21515 2209.00000 0.00045
1835 28.84007 1790.03854 1849.00000 0.00054
1836 28.85307 1503.43183 1536.64001 0.00065
1837 28.86607 1277.65578 1281.63989 0.00078
1838 28.87907 1123.62901 1162.80994 0.00086
1839 28.89207 1050.10459 1135.69006 0.00088
1840 28.90507 1005.00312 1069.29004 0.00094
1841 28.91807 979.81194 1036.84009 0.00096
1842 28.93107 966.02780 979.68994 0.00102
1843 28.94407 958.10188 961.00000 0.00104
1844 28.95707 951.79857 924.15997 0.00108
1845 28.97007 946.74093 954.81000 0.00105
1846 28.98307 942.52348 936.36005 0.00107
1847 28.99607 939.10906 1004.89008 0.00100
1848 29.00907 936.15656 967.21002 0.00103
1849 29.02207 933.63904 912.04004 0.00110
1850 29.03507 931.53034 942.49005 0.00106
1851 29.04807 929.82832 882.09003 0.00113
1852 29.06107 928.35608 900.00000 0.00111
1853 29.07407 927.08380 954.81000 0.00105
1854 29.08707 926.00653 942.49005 0.00106
1855 29.10007 925.17099 936.36005 0.00107
1856 29.11307 924.48460 918.08997 0.00109
1857 29.12607 923.90151 948.63995 0.00105
1858 29.13907 923.44098 882.09003 0.00113
1859 29.15207 923.12561 936.36005 0.00107
1860 29.16507 922.89457 954.81000 0.00105
1861 29.17807 922.76421 888.03998 0.00113
1862 29.19107 922.77650 900.00000 0.00111
1863 29.20407 923.03923 882.09003 0.00113
1864 29.21707 923.55197 973.44006 0.00103
1865 29.23007 924.38534 967.21002 0.00103
1866 29.24307 925.60355 888.03998 0.00113
1867 29.25607 927.47189 967.21002 0.00103
1868 29.26907 930.21803 930.25000 0.00107
1869 29.28207 934.39615 961.00000 0.00104
1870 29.29507 940.95892 1024.00000 0.00098
1871 29.30807 953.18933 1043.28992 0.00096
1872 29.32107 979.78508 1142.43994 0.00088
1873 29.33407 1028.90032 1062.75989 0.00094
1874 29.34707 1109.68283 1176.48999 0.00085
1875 29.36007 1239.67462 1310.44006 0.00076
1876 29.37307 1440.39214 1536.64001 0.00065
1877 29.38607 1672.73291 1713.96008 0.00058
1878 29.39907 1903.98712 1962.48999 0.00051
1879 29.41207 2095.83002 2143.68994 0.00047
1880 29.42507 2128.82768 2079.35986 0.00048
1881 29.43807 2052.95907 2025.00000 0.00049
1882 29.45107 1916.31056 1944.80981 0.00051
1883 29.46407 1764.94107 1797.76013 0.00056
1884 29.47707 1670.26038 1681.00000 0.00059
1885 29.49007 1601.76613 1705.68994 0.00059
1886 29.50307 1526.72072 1600.00000 0.00063
1887 29.51607 1424.95435 1421.29004 0.00070
1888 29.52907 1269.46246 1260.25000 0.00079
1889 29.54207 1150.71683 1135.69006 0.00088
1890 29.55507 1061.09966 1062.75989 0.00094
1891 29.56807 998.20408 1017.60999 0.00098
1892 29.58107 960.77326 954.81000 0.00105
1893 29.59407 940.87386 967.21002 0.00103
1894 29.60707 928.57024 924.15997 0.00108
1895 29.62007 921.58410 912.04004 0.00110
1896 29.63307 917.69239 912.04004 0.00110
1897 29.64607 915.21340 918.08997 0.00109
1898 29.65907 912.38715 936.36005 0.00107
1899 29.67207 909.54653 918.08997 0.00109
1900 29.68507 907.00755 900.00000 0.00111
1901 29.69807 905.44835 876.16003 0.00114
1902 29.71107 905.37339 900.00000 0.00111
1903 29.72407 907.68846 918.08997 0.00109
1904 29.73707 912.41486 924.15997 0.00108
1905 29.75007 919.34907 918.08997 0.00109
1906 29.76307 928.21563 918.08997 0.00109
1907 29.77607 936.08845 918.08997 0.00109
1908 29.78907 939.48906 906.01001 0.00110
1909 29.80207 938.75629 906.01001 0.00110
1910 29.81507 934.84276 924.15997 0.00108
1911 29.82807 934.10379 930.25000 0.00107
1912 29.84107 941.27380 942.49005 0.00106
1913 29.85407 957.62774 985.95996 0.00101
1914 29.86707 985.46584 998.56000 0.00100
1915 29.88007 1036.49382 985.95996 0.00101
1916 29.89307 1109.28347 1049.76013 0.00095
1917 29.90607 1198.12861 1156.00000 0.00087
1918 29.91907 1293.60234 1253.16016 0.00080
1919 29.93207 1370.83180 1346.89001 0.00074
1920 29.94507 1393.44723 1361.61011 0.00073
1921 29.95807 1371.37595 1281.63989 0.00078
1922 29.97107 1318.95022 1211.03992 0.00083
1923 29.98407 1257.54150 1204.09009 0.00083
1924 29.99707 1224.88163 1197.15991 0.00084
1925 30.01007 1208.17524 1169.64001 0.00085
1926 30.02307 1192.74919 1115.56006 0.00090
1927 30.03607 1163.74827 1102.23999 0.00091
1928 30.04907 1090.73864 1049.76013 0.00095
1929 30.06207 1045.94902 1049.76013 0.00095
1930 30.07507 1021.73434 979.68994 0.00102
1931 30.08807 1022.30199 985.95996 0.00101
1932 30.10107 1055.25310 1043.28992 0.00096
1933 30.11407 1136.30954 1142.43994 0.00088
1934 30.12707 1291.94800 1267.35986 0.00079
1935 30.14007 1538.32870 1474.56006 0.00068
1936 30.15307 1867.36699 1857.60986 0.00054
1937 30.16607 2246.66936 2237.29004 0.00045
1938 30.17907 2582.54819 2611.20996 0.00038
1939 30.19207 2789.35314 2777.29004 0.00036
1940 30.20507 2799.94814 2704.00000 0.00037
1941 30.21807 2649.45502 2520.04004 0.00040
1942 30.23107 2421.50747 2294.41016 0.00044
1943 30.24407 2224.56297 2134.44019 0.00047
1944 30.25707 2111.68345 2070.25000 0.00048
1945 30.27007 2040.73410 1909.69006 0.00052
1946 30.28307 1946.88506 1806.25000 0.00055
1947 30.29607 1730.22112 1600.00000 0.00063
1948 30.30907 1457.64616 1369.00000 0.00073
1949 30.32207 1265.52806 1183.36011 0.00085
1950 30.33507 1131.92124 1156.00000 0.00087
1951 30.34807 1058.58677 1075.83997 0.00093
1952 30.36107 1038.17922 1030.40991 0.00097
1953 30.37407 1057.73419 1115.56006 0.00090
1954 30.38707 1100.68620 1156.00000 0.00087
1955 30.40007 1156.39732 1246.08997 0.00080
1956 30.41307 1196.02637 1260.25000 0.00079
1957 30.42607 1205.93116 1246.08997 0.00080
1958 30.43907 1189.86639 1267.35986 0.00079
1959 30.45207 1152.66473 1197.15991 0.00084
1960 30.46507 1112.21205 1128.95984 0.00089
1961 30.47807 1086.17719 1062.75989 0.00094
1962 30.49107 1068.03668 1056.25000 0.00095
1963 30.50407 1053.17529 1049.76013 0.00095
1964 30.51707 1029.85559 1069.29004 0.00094
1965 30.53007 981.44166 979.68994 0.00102
1966 30.54307 939.87099 985.95996 0.00101
1967 30.55607 909.75709 894.00995 0.00112
1968 30.56907 888.58486 906.01001 0.00110
1969 30.58207 875.93920 930.25000 0.00107
1970 30.59507 867.65924 918.08997 0.00109
1971 30.60807 862.50494 876.16003 0.00114
1972 30.62107 859.35576 912.04004 0.00110
1973 30.63407 857.37826 888.03998 0.00113
1974 30.64707 855.75741 900.00000 0.00111
1975 30.66007 854.37770 835.20996 0.00120
1976 30.67307 853.15774 852.64001 0.00117
1977 30.68607 852.07699 894.00995 0.00112
1978 30.69907 851.09487 858.48993 0.00116
1979 30.71207 850.19294 858.48993 0.00116
1980 30.72507 849.36137 823.69006 0.00121
1981 30.73807 848.60120 852.64001 0.00117
1982 30.75107 847.94178 882.09003 0.00113
1983 30.76407 847.43978 858.48993 0.00116
1984 30.77707 847.20077 846.81000 0.00118
1985 30.79007 847.34977 876.16003 0.00114
1986 30.80307 848.39881 829.43994 0.00121
1987 30.81607 850.57835 876.16003 0.00114
1988 30.82907 853.63412 876.16003 0.00114
1989 30.84207 857.20792 846.81000 0.00118
1990 30.85507 860.22069 835.20996 0.00120
1991 30.86807 860.49455 835.20996 0.00120
1992 30.88107 858.57489 858.48993 0.00116
1993 30.89407 855.28217 870.25000 0.00115
1994 30.90707 852.15955 864.35999 0.00116
1995 30.92007 850.93421 882.09003 0.00113
1996 30.93307 850.28728 882.09003 0.00113
1997 30.94607 849.50363 858.48993 0.00116
1998 30.95907 847.83471 858.48993 0.00116
1999 30.97207 845.01195 829.43994 0.00121
2000 30.98507 842.46743 829.43994 0.00121
2001 30.99807 840.44488 823.69006 0.00121
2002 31.01107 839.10743 817.96002 0.00122
2003 31.02407 838.43205 846.81000 0.00118
2004 31.03707 838.03023 829.43994 0.00121
2005 31.05007 837.79929 823.69006 0.00121
2006 31.06307 837.74667 864.35999 0.00116
2007 31.07607 837.85976 858.48993 0.00116
2008 31.08907 838.16144 846.81000 0.00118
2009 31.10207 838.66714 858.48993 0.00116
2010 31.11507 839.45500 864.35999 0.00116
2011 31.12807 840.53226 882.09003 0.00113
2012 31.14107 841.92796 858.48993 0.00116
2013 31.15407 843.72829 870.25000 0.00115
2014 31.16707 846.24547 888.03998 0.00113
2015 31.18007 850.34817 906.01001 0.00110
2016 31.19307 857.43782 912.04004 0.00110
2017 31.20607 869.80925 894.00995 0.00112
2018 31.21907 892.66616 936.36005 0.00107
2019 31.23207 940.70417 998.56000 0.00100
2020 31.24507 1019.58462 1075.83997 0.00093
2021 31.25807 1134.97694 1197.15991 0.00084
2022 31.27107 1292.97346 1317.68994 0.00076
2023 31.28407 1481.16175 1497.69006 0.00067
2024 31.29707 1646.76950 1730.55981 0.00058
2025 31.31007 1762.70373 1840.41016 0.00054
2026 31.32307 1799.09255 1831.83997 0.00055
2027 31.33607 1724.92051 1780.84009 0.00056
2028 31.34907 1621.73569 1632.16016 0.00061
2029 31.36207 1523.66940 1505.43994 0.00066
2030 31.37507 1455.85253 1482.25000 0.00067
2031 31.38807 1427.68671 1444.00000 0.00069
2032 31.40107 1385.69715 1339.55994 0.00075
2033 31.41407 1293.46615 1239.04004 0.00081
2034 31.42707 1161.12335 1128.95984 0.00089
2035 31.44007 1056.83325 1043.28992 0.00096
2036 31.45307 977.07734 992.25000 0.00101
2037 31.46607 918.84800 961.00000 0.00104
2038 31.47907 879.44829 942.49005 0.00106
2039 31.49207 855.99885 930.25000 0.00107
2040 31.50507 843.89941 858.48993 0.00116
2041 31.51807 836.12522 852.64001 0.00117
2042 31.53107 831.26245 906.01001 0.00110
2043 31.54407 827.93550 841.00000 0.00119
2044 31.55707 825.55329 835.20996 0.00120
2045 31.57007 823.73056 846.81000 0.00118
2046 31.58307 822.25125 864.35999 0.00116
2047 31.59607 820.98237 864.35999 0.00116
2048 31.60907 819.87056 829.43994 0.00121
2049 31.62207 818.97402 835.20996 0.00120
2050 31.63507 818.29319 817.96002 0.00122
2051 31.64807 817.83878 823.69006 0.00121
2052 31.66107 817.79131 812.25000 0.00123
2053 31.67407 818.25749 841.00000 0.00119
2054 31.68707 819.20060 817.96002 0.00122
2055 31.70007 820.65860 841.00000 0.00119
2056 31.71307 822.66333 870.25000 0.00115
2057 31.72607 824.19368 846.81000 0.00118
2058 31.73907 824.84636 852.64001 0.00117
2059 31.75207 824.39443 858.48993 0.00116
2060 31.76507 822.50704 823.69006 0.00121
2061 31.77807 821.01147 795.24005 0.00126
2062 31.79107 820.50537 841.00000 0.00119
2063 31.80407 821.38567 784.00000 0.00128
2064 31.81707 823.69519 846.81000 0.00118
2065 31.83007 826.79496 823.69006 0.00121
2066 31.84307 832.17543 812.25000 0.00123
2067 31.85607 839.88697 829.43994 0.00121
2068 31.86907 849.25692 835.20996 0.00120
2069 31.88207 859.86096 841.00000 0.00119
2070 31.89507 868.75183 882.09003 0.00113
2071 31.90807 872.19261 864.35999 0.00116
2072 31.92107 872.05070 876.16003 0.00114
2073 31.93407 870.50643 888.03998 0.00113
2074 31.94707 873.29783 918.08997 0.00109
2075 31.96007 891.71330 894.00995 0.00112
2076 31.97307 929.66506 948.63995 0.00105
2077 31.98607 992.91658 979.68994 0.00102
2078 31.99907 1086.38546 1149.21008 0.00087
2079 32.01207 1228.50178 1197.15991 0.00084
2080 32.02507 1389.08753 1346.89001 0.00074
2081 32.03807 1540.02062 1505.43994 0.00066
2082 32.05107 1655.45026 1730.55981 0.00058
2083 32.06407 1679.74350 1722.25000 0.00058
2084 32.07707 1615.39082 1568.15991 0.00064
2085 32.09007 1516.37221 1428.83997 0.00070
2086 32.10307 1414.37165 1369.00000 0.00073
2087 32.11607 1350.65004 1361.61011 0.00073
2088 32.12907 1322.91069 1317.68994 0.00076
2089 32.14207 1289.21995 1303.20984 0.00077
2090 32.15507 1228.77655 1225.00000 0.00082
2091 32.16807 1126.06009 1142.43994 0.00088
2092 32.18107 1042.79055 1043.28992 0.00096
2093 32.19407 976.98665 967.21002 0.00103
2094 32.20707 931.21858 924.15997 0.00108
2095 32.22007 912.19122 900.00000 0.00111
2096 32.23307 925.66073 948.63995 0.00105
2097 32.24607 970.25195 979.68994 0.00102
2098 32.25907 1048.98724 1036.84009 0.00096
2099 32.27207 1177.78611 1253.16016 0.00080
2100 32.28507 1335.33681 1436.41016 0.00070
2101 32.29807 1506.80849 1608.00989 0.00062
2102 32.31107 1677.29773 1806.25000 0.00055
2103 32.32407 1801.66629 1927.21008 0.00052
2104 32.33707 1911.98724 2025.00000 0.00049
2105 32.35007 2008.94542 2143.68994 0.00047
2106 32.36307 2093.61023 2256.25000 0.00044
2107 32.37607 2183.45865 2361.95996 0.00042
2108 32.38907 2185.32683 2410.80981 0.00041
2109 32.40207 2107.13078 2294.41016 0.00044
2110 32.41507 1962.93969 2097.63989 0.00048
2111 32.42807 1757.68783 1892.25000 0.00053
2112 32.44107 1618.02290 1681.00000 0.00059
2113 32.45407 1523.83334 1576.09009 0.00063
2114 32.46707 1450.55747 1584.03992 0.00063
2115 32.48007 1389.04591 1505.43994 0.00066
2116 32.49307 1303.65143 1369.00000 0.00073
2117 32.50607 1272.04198 1376.40991 0.00073
2118 32.51907 1300.03208 1489.95984 0.00067
2119 32.53207 1411.33788 1560.25000 0.00064
2120 32.54507 1567.19298 1664.63989 0.00060
2121 32.55807 1735.03482 1857.60986 0.00054
2122 32.57107 1875.27872 1980.25000 0.00050
2123 32.58407 1896.06326 2016.01013 0.00050
2124 32.59707 1826.20854 1936.00000 0.00052
2125 32.61007 1705.85535 1722.25000 0.00058
2126 32.62307 1568.22763 1624.08997 0.00062
2127 32.63607 1487.02327 1592.01013 0.00063
2128 32.64907 1442.44550 1505.43994 0.00066
2129 32.66207 1401.74730 1466.88989 0.00068
2130 32.67507 1341.40304 1346.89001 0.00074
2131 32.68807 1211.26004 1239.04004 0.00081
2132 32.70107 1100.77427 1176.48999 0.00085
2133 32.71407 1008.24033 1075.83997 0.00093
2134 32.72707 935.22097 973.44006 0.00103
2135 32.74007 888.91301 918.08997 0.00109
2136 32.75307 867.10277 906.01001 0.00110
2137 32.76607 861.84151 900.00000 0.00111
2138 32.77907 872.66230 918.08997 0.00109
2139 32.79207 906.15089 942.49005 0.00106
2140 32.80507 976.33674 1030.40991 0.00097
2141 32.81807 1089.50191 1122.25000 0.00089
2142 32.83107 1252.56697 1246.08997 0.00080
2143 32.84407 1488.36791 1560.25000 0.00064
2144 32.85707 1758.88535 1814.75989 0.00055
2145 32.87007 2004.99613 2070.25000 0.00048
2146 32.88307 2189.79757 2284.83984 0.00044
2147 32.89607 2229.32799 2256.25000 0.00044
2148 32.90907 2122.69945 2190.23999 0.00046
2149 32.92207 1961.00469 2016.01013 0.00050
2150 32.93507 1788.20645 1772.40991 0.00056
2151 32.94807 1681.80584 1689.20984 0.00059
2152 32.96107 1628.41798 1592.01013 0.00063
2153 32.97407 1573.01492 1560.25000 0.00064
2154 32.98707 1486.96409 1444.00000 0.00069
2155 33.00007 1315.32517 1296.00000 0.00077
2156 33.01307 1170.88260 1183.36011 0.00085
2157 33.02607 1048.68703 979.68994 0.00102
2158 33.03907 949.76142 961.00000 0.00104
2159 33.05207 881.45268 864.35999 0.00116
2160 33.06507 840.44998 894.00995 0.00112
2161 33.07807 813.36162 835.20996 0.00120
2162 33.09107 797.27962 800.88995 0.00125
2163 33.10407 788.51446 852.64001 0.00117
2164 33.11707 783.26396 800.88995 0.00125
2165 33.13007 779.20721 806.56000 0.00124
2166 33.14307 775.57182 750.75995 0.00133
2167 33.15607 772.34376 778.40997 0.00128
2168 33.16907 769.58883 761.76001 0.00131
2169 33.18207 767.43296 756.25000 0.00132
2170 33.19507 766.05179 772.83997 0.00129
2171 33.20807 765.45342 795.24005 0.00126
2172 33.22107 765.72162 789.61005 0.00127
2173 33.23407 766.54529 772.83997 0.00129
2174 33.24707 767.45584 795.24005 0.00126
2175 33.26007 768.04644 756.25000 0.00132
2176 33.27307 767.83262 761.76001 0.00131
2177 33.28607 767.16093 745.28998 0.00134
2178 33.29907 766.72626 756.25000 0.00132
2179 33.31207 766.90114 718.23993 0.00139
2180 33.32507 767.99387 745.28998 0.00134
2181 33.33807 769.82409 750.75995 0.00133
2182 33.35107 771.96275 784.00000 0.00128
2183 33.36407 774.34595 767.29004 0.00130
2184 33.37707 777.09275 800.88995 0.00125
2185 33.39007 780.92475 846.81000 0.00118
2186 33.40307 786.75453 800.88995 0.00125
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