# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_CuCl_PRF
_database_code_depnum_ccdc_archive 'CCDC 1964562'
loop_
_audit_author_name
_audit_author_address
'Oleksii Shemchuk'
;University of Bologna
Italy
;
_audit_update_record             
;
2019-11-08 deposited with the CCDC.	2020-01-06 downloaded from the CCDC.
;



#==============================================================================
# Chemical + Structural + Crystal Information
#==============================================================================
_chemical_formula_moiety         'C13 H11 Cl Cu  N3'
# Note: _chemical_formula_sum/_weight/_cell_formula_units_Z need to be 
# recalculated if any one is changed
_chemical_formula_sum            'C13 H11 Cl Cu  N3'
_chemical_formula_weight         308.25
_cell_formula_units_Z            4
_pd_char_colour                  yellow
_exptl_crystal_density_diffrn    1.706
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_cell_measurement_temperature    298

#==============================================================================
# Instrument + Refinement Information
#==============================================================================
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Panalytical XPert PRO'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.54180
_diffrn_radiation_type           'Cu K\a'
_pd_proc_ls_prof_R_factor        0.0381
_pd_proc_ls_prof_wR_factor       0.0545
_pd_proc_ls_prof_wR_expected     0.0220
_refine_ls_R_I_factor            0.0184
_refine_ls_goodness_of_fit_all   2.47454
_refine_ls_shift/su_max          0.0051809221
_refine_ls_number_parameters     0.000000
_refine_ls_number_restraints     ? #How many restraints used
_refine_diff_density_max         ? #Highest Fourier peak
_refine_diff_density_min         ? #Deepest Fourier hole

#==============================================================================
# Phase Information
#==============================================================================
_cell_length_a                   13.9788(8)
_cell_length_b                   11.5307(8)
_cell_length_c                   7.4437(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1199.81(12)
_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'C m c 21'
_symmetry_space_group_name_Hall  ' C 2c -2 '
_space_group_IT_number           36
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, y, z '
'x, -y, z+1/2 '
'-x, -y, z+1/2 '
'x+1/2, y+1/2, z '
'-x+1/2, y+1/2, z '
'x+1/2, -y+1/2, z+1/2 '
'-x+1/2, -y+1/2, z+1/2 '

# Atomic coordinates & thermal parameters
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
Cu1 Cu 4 0 0.11385(2) 0.1045(2) 1 5.04(15)
Cl1 Cl 4 0 -0.04840(4) -0.0286(4) 1 5.04(15)
N1 N 4 0 0.27850(1) 0.1830(4) 1 5.04(15)
N2 N 8 0.34275(4) 0.27275(3) 0.1705(4) 1 5.04(15)
C1 C 8 0.17790(3) 0.49190(2) 0.3420(3) 1 5.04(15)
H3 H 8 0.18125(11) 0.57575(17) 0.4080(2) 1 6.05(18)
C2 C 8 0.08650(5) 0.33121(6) 0.2187(2) 1 5.04(15)
C3 C 8 0.08685(16) 0.44035(4) 0.30405 1 5.04(15)
C6 C 8 0.25987(12) 0.43638(2) 0.2960 1 5.04(15)
H2 H 8 0.32850(2) 0.47651(4) 0.3240 1 6.05(18)
C7 C 8 0.25625(8) 0.32675(5) 0.2130 1 5.04(15)
C8 C 8 0.17075(9) 0.27225(3) 0.1725(5) 1 5.04(15)
H1 H 8 0.16910(3) 0.18791(2) 0.1083(4) 1 6.05(18)
C13 C 4 0 0.49350(1) 0.3404(5) 1 5.04(15)
H4 H 4 0 0.57951(5) 0.3995(5) 1 6.05(18)
H8 H 8 0.40550(16) 0.31350(4) 0.1940(4) 1 6.05(18)
H9 H 8 0.34225(5) 0.19275(12) 0.1155(8) 1 6.05(18)


#==============================================================================
# PD Data Block - Obs + Calc
#==============================================================================
_pd_proc_2theta_range_min        ? #Lowest value in column 2 below
_pd_proc_2theta_range_max        ? #Lowest value in column 2 below
_pd_proc_2theta_range_inc        
? #Step size between any two points in column 2 below
_pd_meas_number_of_points        ? #This is the last number in column 1 below

loop_
_pd_proc_point_id
_pd_meas_2theta_scan
_pd_proc_intensity_total
_pd_calc_intensity_total
_pd_proc_ls_weight
1 5.00207 2524.63930 2570.48999 0.00039
2 5.01507 2520.80088 2520.04004 0.00040
3 5.02807 2516.97350 2500.00000 0.00040
4 5.04107 2513.15718 2550.25000 0.00039
5 5.05407 2509.35191 2490.01025 0.00040
6 5.06707 2505.55771 2480.04004 0.00040
7 5.08007 2501.77457 2460.15991 0.00041
8 5.09307 2498.00250 2460.15991 0.00041
9 5.10607 2494.24150 2480.04004 0.00040
10 5.11907 2490.49158 2420.64014 0.00041
11 5.13207 2486.75274 2440.36011 0.00041
12 5.14507 2483.02498 2490.01025 0.00040
13 5.15807 2479.30832 2460.15991 0.00041
14 5.17107 2475.60274 2391.21021 0.00042
15 5.18407 2471.90825 2430.48999 0.00041
16 5.19707 2468.22486 2460.15991 0.00041
17 5.21007 2464.55257 2420.64014 0.00041
18 5.22307 2460.89138 2391.21021 0.00042
19 5.23607 2457.24129 2401.00000 0.00042
20 5.24907 2453.60230 2470.09009 0.00040
21 5.26207 2449.97442 2410.80981 0.00041
22 5.27507 2446.35764 2460.15991 0.00041
23 5.28807 2442.75197 2430.48999 0.00041
24 5.30107 2439.15741 2420.64014 0.00041
25 5.31407 2435.57395 2381.43994 0.00042
26 5.32707 2432.00161 2342.56006 0.00043
27 5.34007 2428.44037 2420.64014 0.00041
28 5.35307 2424.89025 2352.25000 0.00043
29 5.36607 2421.35123 2401.00000 0.00042
30 5.37907 2417.82332 2430.48999 0.00041
31 5.39207 2414.30652 2391.21021 0.00042
32 5.40507 2410.80083 2391.21021 0.00042
33 5.41807 2407.30625 2323.23999 0.00043
34 5.43107 2403.82277 2342.56006 0.00043
35 5.44407 2400.35039 2332.88989 0.00043
36 5.45707 2396.88912 2294.41016 0.00044
37 5.47007 2393.43896 2361.95996 0.00042
38 5.48307 2389.99989 2294.41016 0.00044
39 5.49607 2386.57191 2371.69019 0.00042
40 5.50907 2383.15504 2361.95996 0.00042
41 5.52207 2379.74926 2410.80981 0.00041
42 5.53507 2376.35456 2430.48999 0.00041
43 5.54807 2372.97096 2352.25000 0.00043
44 5.56107 2369.59844 2371.69019 0.00042
45 5.57407 2366.23700 2323.23999 0.00043
46 5.58707 2362.88665 2227.84009 0.00045
47 5.60007 2359.54736 2304.00000 0.00043
48 5.61307 2356.21915 2381.43994 0.00042
49 5.62607 2352.90201 2371.69019 0.00042
50 5.63907 2349.59593 2460.15991 0.00041
51 5.65207 2346.30091 2410.80981 0.00041
52 5.66507 2343.01695 2342.56006 0.00043
53 5.67807 2339.74404 2265.75977 0.00044
54 5.69107 2336.48218 2391.21021 0.00042
55 5.70407 2333.23138 2323.23999 0.00043
56 5.71707 2329.99168 2323.23999 0.00043
57 5.73007 2326.76328 2352.25000 0.00043
58 5.74307 2323.54644 2371.69019 0.00042
59 5.75607 2320.34141 2371.69019 0.00042
60 5.76907 2317.14856 2410.80981 0.00041
61 5.78207 2313.96852 2381.43994 0.00042
62 5.79507 2310.80102 2323.23999 0.00043
63 5.80807 2307.64624 2275.29004 0.00044
64 5.82107 2304.50433 2352.25000 0.00043
65 5.83407 2301.37673 2361.95996 0.00042
66 5.84707 2298.26309 2323.23999 0.00043
67 5.86007 2295.16395 2332.88989 0.00043
68 5.87307 2292.07996 2265.75977 0.00044
69 5.88607 2289.01474 2265.75977 0.00044
70 5.89907 2285.97148 2352.25000 0.00043
71 5.91207 2282.95309 2323.23999 0.00043
72 5.92507 2279.96216 2352.25000 0.00043
73 5.93807 2277.00473 2381.43994 0.00042
74 5.95107 2274.05728 2332.88989 0.00043
75 5.96407 2271.08875 2361.95996 0.00042
76 5.97707 2268.09804 2332.88989 0.00043
77 5.99007 2265.09748 2294.41016 0.00044
78 6.00307 2262.10346 2275.29004 0.00044
79 6.01607 2259.11993 2275.29004 0.00044
80 6.02907 2256.14727 2265.75977 0.00044
81 6.04207 2253.18552 2275.29004 0.00044
82 6.05507 2250.23467 2284.83984 0.00044
83 6.06807 2247.29471 2246.76025 0.00045
84 6.08107 2244.36562 2275.29004 0.00044
85 6.09407 2241.44740 2342.56006 0.00043
86 6.10707 2238.54006 2265.75977 0.00044
87 6.12007 2235.64357 2265.75977 0.00044
88 6.13307 2232.75792 2256.25000 0.00044
89 6.14607 2229.88310 2256.25000 0.00044
90 6.15907 2227.01912 2304.00000 0.00043
91 6.17207 2224.16596 2304.00000 0.00043
92 6.18507 2221.32360 2256.25000 0.00044
93 6.19807 2218.49204 2246.76025 0.00045
94 6.21107 2215.67126 2218.40991 0.00045
95 6.22407 2212.86128 2284.83984 0.00044
96 6.23707 2210.06206 2332.88989 0.00043
97 6.25007 2207.27360 2304.00000 0.00043
98 6.26307 2204.49587 2256.25000 0.00044
99 6.27607 2201.72891 2209.00000 0.00045
100 6.28907 2198.97267 2275.29004 0.00044
101 6.30207 2196.22714 2294.41016 0.00044
102 6.31507 2193.49231 2237.29004 0.00045
103 6.32807 2190.76819 2237.29004 0.00045
104 6.34107 2188.05476 2218.40991 0.00045
105 6.35407 2185.35199 2237.29004 0.00045
106 6.36707 2182.65989 2265.75977 0.00044
107 6.38007 2179.97844 2237.29004 0.00045
108 6.39307 2177.30765 2199.61011 0.00045
109 6.40607 2174.64748 2237.29004 0.00045
110 6.41907 2171.99792 2256.25000 0.00044
111 6.43207 2169.35897 2209.00000 0.00045
112 6.44507 2166.73062 2227.84009 0.00045
113 6.45807 2164.11286 2227.84009 0.00045
114 6.47107 2161.50566 2256.25000 0.00044
115 6.48407 2158.90902 2199.61011 0.00045
116 6.49707 2156.32295 2190.23999 0.00046
117 6.51007 2153.74741 2171.55981 0.00046
118 6.52307 2151.18238 2190.23999 0.00046
119 6.53607 2148.62787 2265.75977 0.00044
120 6.54907 2146.08386 2227.84009 0.00045
121 6.56207 2143.55035 2180.89014 0.00046
122 6.57507 2141.02730 2190.23999 0.00046
123 6.58807 2138.51471 2237.29004 0.00045
124 6.60107 2136.01258 2190.23999 0.00046
125 6.61407 2133.52089 2199.61011 0.00045
126 6.62707 2131.03963 2152.96021 0.00046
127 6.64007 2128.56876 2143.68994 0.00047
128 6.65307 2126.10830 2134.44019 0.00047
129 6.66607 2123.65824 2097.63989 0.00048
130 6.67907 2121.21855 2143.68994 0.00047
131 6.69207 2118.78920 2180.89014 0.00046
132 6.70507 2116.37020 2134.44019 0.00047
133 6.71807 2113.96156 2125.20996 0.00047
134 6.73107 2111.56323 2180.89014 0.00046
135 6.74407 2109.17519 2180.89014 0.00046
136 6.75707 2106.79745 2088.48999 0.00048
137 6.77007 2104.43000 2171.55981 0.00046
138 6.78307 2102.07282 2152.96021 0.00046
139 6.79607 2099.72588 2134.44019 0.00047
140 6.80907 2097.38918 2256.25000 0.00044
141 6.82207 2095.06272 2209.00000 0.00045
142 6.83507 2092.74654 2106.81006 0.00047
143 6.84807 2090.44073 2116.00000 0.00047
144 6.86107 2088.14544 2088.48999 0.00048
145 6.87407 2085.86102 2134.44019 0.00047
146 6.88707 2083.58820 2134.44019 0.00047
147 6.90007 2081.32682 2016.01013 0.00050
148 6.91307 2079.07699 2034.00989 0.00049
149 6.92607 2076.83886 2134.44019 0.00047
150 6.93907 2074.61359 1971.36011 0.00051
151 6.95207 2072.40072 1998.09009 0.00050
152 6.96507 2070.20059 2152.96021 0.00046
153 6.97807 2068.01358 2034.00989 0.00049
154 6.99107 2065.84203 2116.00000 0.00047
155 7.00407 2063.68703 2116.00000 0.00047
156 7.01707 2061.55055 2143.68994 0.00047
157 7.03007 2059.43521 2025.00000 0.00049
158 7.04307 2057.34962 2143.68994 0.00047
159 7.05607 2055.29667 2097.63989 0.00048
160 7.06907 2053.25768 1989.15991 0.00050
161 7.08207 2051.21544 2070.25000 0.00048
162 7.09507 2049.13789 2025.00000 0.00049
163 7.10807 2047.04565 2016.01013 0.00050
164 7.12107 2044.95816 2034.00989 0.00049
165 7.13407 2042.87871 2088.48999 0.00048
166 7.14707 2040.80910 2061.16016 0.00049
167 7.16007 2038.74951 2043.04004 0.00049
168 7.17307 2036.69982 2016.01013 0.00050
169 7.18607 2034.66002 2007.03992 0.00050
170 7.19907 2032.63009 2007.03992 0.00050
171 7.21207 2030.61011 1944.80981 0.00051
172 7.22507 2028.60001 1927.21008 0.00052
173 7.23807 2026.59975 1944.80981 0.00051
174 7.25107 2024.60931 1998.09009 0.00050
175 7.26407 2022.62874 1971.36011 0.00051
176 7.27707 2020.65802 1980.25000 0.00050
177 7.29007 2018.69709 1953.64001 0.00051
178 7.30307 2016.74594 2007.03992 0.00050
179 7.31607 2014.80457 1953.64001 0.00051
180 7.32907 2012.87305 1892.25000 0.00053
181 7.34207 2010.95126 1909.69006 0.00052
182 7.35507 2009.03920 1989.15991 0.00050
183 7.36807 2007.13685 1944.80981 0.00051
184 7.38107 2005.24432 1909.69006 0.00052
185 7.39407 2003.36149 1918.43994 0.00052
186 7.40707 2001.48833 1918.43994 0.00052
187 7.42007 1999.62483 1909.69006 0.00052
188 7.43307 1997.77110 1936.00000 0.00052
189 7.44607 1995.92705 1953.64001 0.00051
190 7.45907 1994.09261 1918.43994 0.00052
191 7.47207 1992.26780 1927.21008 0.00052
192 7.48507 1990.45267 1971.36011 0.00051
193 7.49807 1988.64722 1927.21008 0.00052
194 7.51107 1986.85135 1936.00000 0.00052
195 7.52407 1985.06505 1944.80981 0.00051
196 7.53707 1983.28836 1936.00000 0.00052
197 7.55007 1981.52135 1971.36011 0.00051
198 7.56307 1979.76388 1944.80981 0.00051
199 7.57607 1978.01595 1900.95984 0.00053
200 7.58907 1976.27754 1892.25000 0.00053
201 7.60207 1974.54883 1900.95984 0.00053
202 7.61507 1972.82963 1927.21008 0.00052
203 7.62807 1971.11992 1936.00000 0.00052
204 7.64107 1969.41969 1883.56018 0.00053
205 7.65407 1967.72911 1874.88989 0.00053
206 7.66707 1966.04804 1944.80981 0.00051
207 7.68007 1964.37644 1927.21008 0.00052
208 7.69307 1962.71428 1883.56018 0.00053
209 7.70607 1961.06170 1918.43994 0.00052
210 7.71907 1959.41867 1936.00000 0.00052
211 7.73207 1957.78507 1944.80981 0.00051
212 7.74507 1956.16090 1980.25000 0.00050
213 7.75807 1954.54623 1936.00000 0.00052
214 7.77107 1952.94127 1927.21008 0.00052
215 7.78407 1951.34623 1936.00000 0.00052
216 7.79707 1949.76182 1927.21008 0.00052
217 7.81007 1948.18876 1909.69006 0.00052
218 7.82307 1946.62925 1900.95984 0.00053
219 7.83607 1945.08401 1900.95984 0.00053
220 7.84907 1943.55407 1909.69006 0.00052
221 7.86207 1942.04129 1953.64001 0.00051
222 7.87507 1940.55008 1900.95984 0.00053
223 7.88807 1939.07953 1892.25000 0.00053
224 7.90107 1937.61683 1909.69006 0.00052
225 7.91407 1936.16941 1849.00000 0.00054
226 7.92707 1934.75054 1936.00000 0.00052
227 7.94007 1933.37774 1918.43994 0.00052
228 7.95307 1932.01877 1883.56018 0.00053
229 7.96607 1930.64546 1831.83997 0.00055
230 7.97907 1929.22742 1900.95984 0.00053
231 7.99207 1927.78931 1857.60986 0.00054
232 8.00507 1926.35918 1892.25000 0.00053
233 8.01807 1924.93785 1918.43994 0.00052
234 8.03107 1923.52598 1953.64001 0.00051
235 8.04407 1922.12402 1909.69006 0.00052
236 8.05707 1920.73154 1900.95984 0.00053
237 8.07007 1919.34853 1883.56018 0.00053
238 8.08307 1917.97500 1840.41016 0.00054
239 8.09607 1916.61140 1892.25000 0.00053
240 8.10907 1915.25742 1927.21008 0.00052
241 8.12207 1913.91298 1900.95984 0.00053
242 8.13507 1912.57807 1857.60986 0.00054
243 8.14807 1911.25306 1927.21008 0.00052
244 8.16107 1909.93790 1909.69006 0.00052
245 8.17407 1908.63235 1866.24011 0.00054
246 8.18707 1907.33642 1857.60986 0.00054
247 8.20007 1906.05034 1866.24011 0.00054
248 8.21307 1904.77441 1883.56018 0.00053
249 8.22607 1903.50818 1883.56018 0.00053
250 8.23907 1902.25169 1918.43994 0.00052
251 8.25207 1901.00499 1840.41016 0.00054
252 8.26507 1899.76880 1900.95984 0.00053
253 8.27807 1898.54246 1840.41016 0.00054
254 8.29107 1897.32599 1918.43994 0.00052
255 8.30407 1896.11940 1849.00000 0.00054
256 8.31707 1894.92349 1909.69006 0.00052
257 8.33007 1893.73774 1892.25000 0.00053
258 8.34307 1892.56204 1936.00000 0.00052
259 8.35607 1891.39641 1883.56018 0.00053
260 8.36907 1890.24149 1962.48999 0.00051
261 8.38207 1889.09723 1823.29004 0.00055
262 8.39507 1887.96324 1806.25000 0.00055
263 8.40807 1886.83956 1874.88989 0.00053
264 8.42107 1885.72663 1857.60986 0.00054
265 8.43407 1884.62497 1866.24011 0.00054
266 8.44707 1883.53387 1900.95984 0.00053
267 8.46007 1882.45337 1883.56018 0.00053
268 8.47307 1881.38367 1814.75989 0.00055
269 8.48607 1880.32601 1883.56018 0.00053
270 8.49907 1879.27931 1857.60986 0.00054
271 8.51207 1878.24370 1789.28992 0.00056
272 8.52507 1877.21934 1789.28992 0.00056
273 8.53807 1876.20826 1831.83997 0.00055
274 8.55107 1875.20984 1849.00000 0.00054
275 8.56407 1874.22407 1789.28992 0.00056
276 8.57707 1873.25127 1814.75989 0.00055
277 8.59007 1872.29351 1857.60986 0.00054
278 8.60307 1871.35122 1883.56018 0.00053
279 8.61607 1870.42395 1883.56018 0.00053
280 8.62907 1869.51238 1874.88989 0.00053
281 8.64207 1868.61900 1849.00000 0.00054
282 8.65507 1867.74782 1840.41016 0.00054
283 8.66807 1866.89844 1840.41016 0.00054
284 8.68107 1866.07381 1840.41016 0.00054
285 8.69407 1865.27861 1831.83997 0.00055
286 8.70707 1864.53365 1772.40991 0.00056
287 8.72007 1863.83586 1814.75989 0.00055
288 8.73307 1863.18300 1849.00000 0.00054
289 8.74607 1862.57104 1857.60986 0.00054
290 8.75907 1861.98409 1874.88989 0.00053
291 8.77207 1861.44070 1874.88989 0.00053
292 8.78507 1860.94824 1806.25000 0.00055
293 8.79807 1860.51364 1849.00000 0.00054
294 8.81107 1860.15689 1849.00000 0.00054
295 8.82407 1859.87912 1814.75989 0.00055
296 8.83707 1859.67640 1849.00000 0.00054
297 8.85007 1859.55496 1849.00000 0.00054
298 8.86307 1859.53779 1823.29004 0.00055
299 8.87607 1859.65507 1866.24011 0.00054
300 8.88907 1859.88801 1874.88989 0.00053
301 8.90207 1860.23256 1866.24011 0.00054
302 8.91507 1860.68467 1944.80981 0.00051
303 8.92807 1861.15651 1883.56018 0.00053
304 8.94107 1861.44551 1806.25000 0.00055
305 8.95407 1861.39101 1814.75989 0.00055
306 8.96707 1860.83667 1814.75989 0.00055
307 8.98007 1859.39513 1866.24011 0.00054
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1832 28.80507 2626.13101 2540.16016 0.00039
1833 28.81807 2548.09802 2430.48999 0.00041
1834 28.83107 2478.58918 2371.69019 0.00042
1835 28.84407 2417.44190 2294.41016 0.00044
1836 28.85707 2363.93047 2304.00000 0.00043
1837 28.87007 2315.45095 2275.29004 0.00044
1838 28.88307 2271.51896 2171.55981 0.00046
1839 28.89607 2231.78700 2116.00000 0.00047
1840 28.90907 2196.74963 2079.35986 0.00048
1841 28.92207 2164.57601 1989.15991 0.00050
1842 28.93507 2135.03529 2007.03992 0.00050
1843 28.94807 2107.89955 2025.00000 0.00049
1844 28.96107 2083.57670 1998.09009 0.00050
1845 28.97407 2061.16283 1989.15991 0.00050
1846 28.98707 2040.39249 1953.64001 0.00051
1847 29.00007 2021.13723 1962.48999 0.00051
1848 29.01307 2003.52889 1883.56018 0.00053
1849 29.02607 1987.26909 1840.41016 0.00054
1850 29.03907 1972.05502 1900.95984 0.00053
1851 29.05207 1957.80677 1953.64001 0.00051
1852 29.06507 1944.55894 1874.88989 0.00053
1853 29.07807 1932.30999 1823.29004 0.00055
1854 29.09107 1920.75629 1849.00000 0.00054
1855 29.10407 1909.85882 1806.25000 0.00055
1856 29.11707 1899.59701 1823.29004 0.00055
1857 29.13007 1890.07378 1764.00000 0.00057
1858 29.14307 1881.05942 1797.76013 0.00056
1859 29.15607 1872.60116 1797.76013 0.00056
1860 29.16907 1864.73484 1738.89001 0.00058
1861 29.18207 1857.48016 1797.76013 0.00056
1862 29.19507 1850.67060 1797.76013 0.00056
1863 29.20807 1844.27590 1806.25000 0.00055
1864 29.22107 1838.28384 1755.61011 0.00057
1865 29.23407 1832.72545 1831.83997 0.00055
1866 29.24707 1827.55363 1755.61011 0.00057
1867 29.26007 1822.71380 1730.55981 0.00058
1868 29.27307 1818.21813 1713.96008 0.00058
1869 29.28607 1814.06449 1764.00000 0.00057
1870 29.29907 1810.26923 1689.20984 0.00059
1871 29.31207 1806.76858 1705.68994 0.00059
1872 29.32507 1803.61699 1713.96008 0.00058
1873 29.33807 1800.76578 1806.25000 0.00055
1874 29.35107 1798.27405 1764.00000 0.00057
1875 29.36407 1796.07671 1823.29004 0.00055
1876 29.37707 1794.24293 1789.28992 0.00056
1877 29.39007 1792.74852 1747.23999 0.00057
1878 29.40307 1791.61646 1664.63989 0.00060
1879 29.41607 1790.80411 1656.49011 0.00060
1880 29.42907 1790.39903 1764.00000 0.00057
1881 29.44207 1790.45841 1772.40991 0.00056
1882 29.45507 1791.02175 1722.25000 0.00058
1883 29.46807 1792.05296 1697.44006 0.00059
1884 29.48107 1793.59624 1738.89001 0.00058
1885 29.49407 1795.80204 1764.00000 0.00057
1886 29.50707 1798.60181 1713.96008 0.00058
1887 29.52007 1802.05049 1738.89001 0.00058
1888 29.53307 1806.16436 1738.89001 0.00058
1889 29.54607 1811.37829 1722.25000 0.00058
1890 29.55907 1817.57871 1747.23999 0.00057
1891 29.57207 1824.89519 1738.89001 0.00058
1892 29.58507 1833.36934 1747.23999 0.00057
1893 29.59807 1843.61617 1755.61011 0.00057
1894 29.61107 1855.62192 1764.00000 0.00057
1895 29.62407 1869.48049 1797.76013 0.00056
1896 29.63707 1885.38123 1831.83997 0.00055
1897 29.65007 1904.23381 1849.00000 0.00054
1898 29.66307 1926.65929 1840.41016 0.00054
1899 29.67607 1952.60542 1874.88989 0.00053
1900 29.68907 1982.52384 1909.69006 0.00052
1901 29.70207 2017.62069 1971.36011 0.00051
1902 29.71507 2060.31454 1980.25000 0.00050
1903 29.72807 2109.94502 2016.01013 0.00050
1904 29.74107 2167.27395 2079.35986 0.00048
1905 29.75407 2233.23375 2171.55981 0.00046
1906 29.76707 2313.02241 2237.29004 0.00045
1907 29.78007 2402.62941 2294.41016 0.00044
1908 29.79307 2501.12384 2450.25000 0.00041
1909 29.80607 2606.89171 2621.44019 0.00038
1910 29.81907 2715.72253 2683.23999 0.00037
1911 29.83207 2816.96219 2787.83984 0.00036
1912 29.84507 2904.22338 2905.21021 0.00034
1913 29.85807 2972.05667 2916.00000 0.00034
1914 29.87107 3007.92230 2926.80981 0.00034
1915 29.88407 3010.69355 2937.64014 0.00034
1916 29.89707 2989.48616 2992.09009 0.00033
1917 29.91007 2947.27481 2981.15991 0.00034
1918 29.92307 2886.06048 2905.21021 0.00034
1919 29.93607 2808.35048 2862.25000 0.00035
1920 29.94907 2721.15298 2787.83984 0.00036
1921 29.96207 2626.87145 2756.25000 0.00036
1922 29.97507 2528.17604 2641.96021 0.00038
1923 29.98807 2430.96247 2500.00000 0.00040
1924 30.00107 2339.32377 2450.25000 0.00041
1925 30.01407 2254.68740 2352.25000 0.00043
1926 30.02707 2178.28905 2171.55981 0.00046
1927 30.04007 2113.53415 2079.35986 0.00048
1928 30.05307 2057.47305 2007.03992 0.00050
1929 30.06607 2008.56258 2025.00000 0.00049
1930 30.07907 1966.05615 2025.00000 0.00049
1931 30.09207 1930.18038 1980.25000 0.00050
1932 30.10507 1899.44471 1936.00000 0.00052
1933 30.11807 1872.21681 1840.41016 0.00054
1934 30.13107 1847.98626 1892.25000 0.00053
1935 30.14407 1826.66811 1814.75989 0.00055
1936 30.15707 1808.17190 1823.29004 0.00055
1937 30.17007 1791.42691 1780.84009 0.00056
1938 30.18307 1776.24034 1797.76013 0.00056
1939 30.19607 1762.45491 1789.28992 0.00056
1940 30.20907 1750.35903 1797.76013 0.00056
1941 30.22207 1739.25409 1764.00000 0.00057
1942 30.23507 1729.07841 1705.68994 0.00059
1943 30.24807 1719.81043 1705.68994 0.00059
1944 30.26107 1711.56185 1730.55981 0.00058
1945 30.27407 1704.02263 1648.35986 0.00061
1946 30.28707 1697.09088 1656.49011 0.00060
1947 30.30007 1690.75824 1640.25000 0.00061
1948 30.31307 1685.02592 1632.16016 0.00061
1949 30.32607 1679.78114 1608.00989 0.00062
1950 30.33907 1674.92733 1656.49011 0.00060
1951 30.35207 1670.46284 1568.15991 0.00064
1952 30.36507 1666.38015 1664.63989 0.00060
1953 30.37807 1662.64810 1616.04004 0.00062
1954 30.39107 1659.18435 1624.08997 0.00062
1955 30.40407 1655.98576 1624.08997 0.00062
1956 30.41707 1653.04247 1632.16016 0.00061
1957 30.43007 1650.37675 1640.25000 0.00061
1958 30.44307 1647.90501 1552.36011 0.00064
1959 30.45607 1645.60713 1600.00000 0.00063
1960 30.46907 1643.48932 1544.48999 0.00065
1961 30.48207 1641.57225 1656.49011 0.00060
1962 30.49507 1639.80876 1568.15991 0.00064
1963 30.50807 1638.18679 1584.03992 0.00063
1964 30.52107 1636.71522 1560.25000 0.00064
1965 30.53407 1635.43236 1672.81018 0.00060
1966 30.54707 1634.30002 1592.01013 0.00063
1967 30.56007 1633.29434 1584.03992 0.00063
1968 30.57307 1632.42267 1624.08997 0.00062
1969 30.58607 1631.69697 1624.08997 0.00062
1970 30.59907 1631.12323 1552.36011 0.00064
1971 30.61207 1630.67829 1584.03992 0.00063
1972 30.62507 1630.37601 1552.36011 0.00064
1973 30.63807 1630.23790 1584.03992 0.00063
1974 30.65107 1630.27254 1664.63989 0.00060
1975 30.66407 1630.45662 1648.35986 0.00061
1976 30.67707 1630.80200 1624.08997 0.00062
1977 30.69007 1631.33116 1648.35986 0.00061
1978 30.70307 1632.07283 1656.49011 0.00060
1979 30.71607 1633.01065 1640.25000 0.00061
1980 30.72907 1634.15805 1632.16016 0.00061
1981 30.74207 1635.54735 1584.03992 0.00063
1982 30.75507 1637.24780 1632.16016 0.00061
1983 30.76807 1639.23731 1722.25000 0.00058
1984 30.78107 1641.55632 1689.20984 0.00059
1985 30.79407 1644.26179 1681.00000 0.00059
1986 30.80707 1647.43736 1681.00000 0.00059
1987 30.82007 1651.12257 1738.89001 0.00058
1988 30.83307 1655.34626 1697.44006 0.00059
1989 30.84607 1660.27659 1772.40991 0.00056
1990 30.85907 1666.03464 1772.40991 0.00056
1991 30.87207 1672.74456 1722.25000 0.00058
1992 30.88507 1680.30935 1780.84009 0.00056
1993 30.89807 1688.83547 1823.29004 0.00055
1994 30.91107 1698.38152 1857.60986 0.00054
1995 30.92407 1708.88385 1874.88989 0.00053
1996 30.93707 1719.84807 1883.56018 0.00053
1997 30.95007 1731.08013 1953.64001 0.00051
1998 30.96307 1742.19898 1918.43994 0.00052
1999 30.97607 1751.92260 1900.95984 0.00053
2000 30.98907 1760.28319 1944.80981 0.00051
2001 31.00207 1767.39954 1953.64001 0.00051
2002 31.01507 1773.32874 1936.00000 0.00052
2003 31.02807 1777.75315 1953.64001 0.00051
2004 31.04107 1781.61642 1971.36011 0.00051
2005 31.05407 1785.50164 1944.80981 0.00051
2006 31.06707 1789.82312 1909.69006 0.00052
2007 31.08007 1794.50411 1980.25000 0.00050
2008 31.09307 1800.04807 1989.15991 0.00050
2009 31.10607 1807.24844 1989.15991 0.00050
2010 31.11907 1816.98566 2007.03992 0.00050
2011 31.13207 1829.35764 2034.00989 0.00049
2012 31.14507 1844.95253 2043.04004 0.00049
2013 31.15807 1864.28906 2052.08984 0.00049
2014 31.17107 1888.94027 2106.81006 0.00047
2015 31.18407 1918.30303 2152.96021 0.00046
2016 31.19707 1952.76780 2199.61011 0.00045
2017 31.21007 1992.49798 2199.61011 0.00045
2018 31.22307 2039.16119 2246.76025 0.00045
2019 31.23607 2089.87627 2323.23999 0.00043
2020 31.24907 2143.38492 2381.43994 0.00042
2021 31.26207 2198.14528 2420.64014 0.00041
2022 31.27507 2248.44520 2470.09009 0.00040
2023 31.28807 2290.79826 2570.48999 0.00039
2024 31.30107 2323.50534 2550.25000 0.00039
2025 31.31407 2344.78059 2550.25000 0.00039
2026 31.32707 2349.03136 2530.08984 0.00040
2027 31.34007 2342.38942 2530.08984 0.00040
2028 31.35307 2327.48259 2540.16016 0.00039
2029 31.36607 2305.71035 2510.00977 0.00040
2030 31.37907 2276.80533 2450.25000 0.00041
2031 31.39207 2243.57790 2460.15991 0.00041
2032 31.40507 2207.95921 2361.95996 0.00042
2033 31.41807 2171.42435 2323.23999 0.00043
2034 31.43107 2135.68676 2237.29004 0.00045
2035 31.44407 2103.61610 2265.75977 0.00044
2036 31.45707 2075.97060 2246.76025 0.00045
2037 31.47007 2053.87645 2152.96021 0.00046
2038 31.48307 2038.75924 2106.81006 0.00047
2039 31.49607 2030.70125 2106.81006 0.00047
2040 31.50907 2028.62197 2171.55981 0.00046
2041 31.52207 2032.73786 2143.68994 0.00047
2042 31.53507 2044.76780 2134.44019 0.00047
2043 31.54807 2064.03461 2246.76025 0.00045
2044 31.56107 2089.97986 2256.25000 0.00044
2045 31.57407 2122.90346 2265.75977 0.00044
2046 31.58707 2165.14179 2209.00000 0.00045
2047 31.60007 2216.56087 2313.60986 0.00043
2048 31.61307 2275.65062 2361.95996 0.00042
2049 31.62607 2341.72661 2430.48999 0.00041
2050 31.63907 2413.92632 2480.04004 0.00040
2051 31.65207 2488.37198 2430.48999 0.00041
2052 31.66507 2558.75124 2621.44019 0.00038
2053 31.67807 2620.96718 2652.25000 0.00038
2054 31.69107 2670.98920 2693.61011 0.00037
2055 31.70407 2699.24900 2652.25000 0.00038
2056 31.71707 2707.64716 2756.25000 0.00036
2057 31.73007 2700.18750 2735.29004 0.00037
2058 31.74307 2678.87466 2724.84009 0.00037
2059 31.75607 2645.34844 2777.29004 0.00036
2060 31.76907 2600.92652 2787.83984 0.00036
2061 31.78207 2549.91106 2580.63989 0.00039
2062 31.79507 2493.63273 2570.48999 0.00039
2063 31.80807 2433.56420 2520.04004 0.00040
2064 31.82107 2372.20454 2590.81006 0.00039
2065 31.83407 2313.50126 2342.56006 0.00043
2066 31.84707 2259.00822 2313.60986 0.00043
2067 31.86007 2209.78366 2209.00000 0.00045
2068 31.87307 2167.39894 2143.68994 0.00047
2069 31.88607 2132.73828 2116.00000 0.00047
2070 31.89907 2103.85703 2097.63989 0.00048
2071 31.91207 2080.31769 2007.03992 0.00050
2072 31.92507 2061.89171 1953.64001 0.00051
2073 31.93807 2049.00304 1980.25000 0.00050
2074 31.95107 2040.04233 1971.36011 0.00051
2075 31.96407 2034.44912 1971.36011 0.00051
2076 31.97707 2032.23948 2007.03992 0.00050
2077 31.99007 2033.43712 1989.15991 0.00050
2078 32.00307 2038.00472 1971.36011 0.00051
2079 32.01607 2045.24006 1953.64001 0.00051
2080 32.02907 2055.39169 1989.15991 0.00050
2081 32.04207 2068.79754 1962.48999 0.00051
2082 32.05507 2085.45199 2016.01013 0.00050
2083 32.06807 2105.16058 2043.04004 0.00049
2084 32.08107 2128.24688 2052.08984 0.00049
2085 32.09407 2156.16374 2088.48999 0.00048
2086 32.10707 2188.34353 2079.35986 0.00048
2087 32.12007 2225.01042 2162.25000 0.00046
2088 32.13307 2266.38111 2199.61011 0.00045
2089 32.14607 2314.68803 2265.75977 0.00044
2090 32.15907 2368.11183 2237.29004 0.00045
2091 32.17207 2425.69619 2352.25000 0.00043
2092 32.18507 2486.44592 2480.04004 0.00040
2093 32.19807 2548.20783 2550.25000 0.00039
2094 32.21107 2605.76081 2601.00000 0.00038
2095 32.22407 2656.06544 2631.68994 0.00038
2096 32.23707 2696.68162 2693.61011 0.00037
2097 32.25007 2722.92017 2652.25000 0.00038
2098 32.26307 2732.66170 2693.61011 0.00037
2099 32.27607 2731.08250 2693.61011 0.00037
2100 32.28907 2719.54281 2641.96021 0.00038
2101 32.30207 2699.69766 2662.55981 0.00038
2102 32.31507 2671.63473 2611.20996 0.00038
2103 32.32807 2639.08831 2611.20996 0.00038
2104 32.34107 2602.79116 2590.81006 0.00039
2105 32.35407 2564.51803 2500.00000 0.00040
2106 32.36707 2525.68503 2530.08984 0.00040
2107 32.38007 2489.23498 2530.08984 0.00040
2108 32.39307 2455.93365 2460.15991 0.00041
2109 32.40607 2426.83491 2440.36011 0.00041
2110 32.41907 2402.71361 2391.21021 0.00042
2111 32.43207 2382.51111 2352.25000 0.00043
2112 32.44507 2364.64449 2352.25000 0.00043
2113 32.45807 2346.98768 2391.21021 0.00042
2114 32.47107 2329.24714 2352.25000 0.00043
2115 32.48407 2311.39065 2265.75977 0.00044
2116 32.49707 2292.49305 2275.29004 0.00044
2117 32.51007 2271.87190 2294.41016 0.00044
2118 32.52307 2250.63146 2294.41016 0.00044
2119 32.53607 2229.74326 2294.41016 0.00044
2120 32.54907 2208.90023 2237.29004 0.00045
2121 32.56207 2187.98114 2209.00000 0.00045
2122 32.57507 2167.38641 2199.61011 0.00045
2123 32.58807 2148.05653 2171.55981 0.00046
2124 32.60107 2130.13615 2152.96021 0.00046
2125 32.61407 2114.25585 2171.55981 0.00046
2126 32.62707 2101.01471 2162.25000 0.00046
2127 32.64007 2090.47602 2152.96021 0.00046
2128 32.65307 2082.63703 2125.20996 0.00047
2129 32.66607 2078.35179 2097.63989 0.00048
2130 32.67907 2077.62580 2097.63989 0.00048
2131 32.69207 2080.12877 2106.81006 0.00047
2132 32.70507 2086.00012 2070.25000 0.00048
2133 32.71807 2096.17540 2106.81006 0.00047
2134 32.73107 2111.29183 2088.48999 0.00048
2135 32.74407 2130.99026 2088.48999 0.00048
2136 32.75707 2155.69823 2079.35986 0.00048
2137 32.77007 2186.32259 2116.00000 0.00047
2138 32.78307 2225.60393 2134.44019 0.00047
2139 32.79607 2272.44620 2227.84009 0.00045
2140 32.80907 2327.48440 2361.95996 0.00042
2141 32.82207 2391.31746 2371.69019 0.00042
2142 32.83507 2467.66541 2510.00977 0.00040
2143 32.84807 2553.80018 2631.68994 0.00038
2144 32.86107 2647.34073 2724.84009 0.00037
2145 32.87407 2746.16377 2862.25000 0.00035
2146 32.88707 2846.36050 3003.03979 0.00033
2147 32.90007 2937.62715 3091.35986 0.00032
2148 32.91307 3014.05302 3283.28979 0.00030
2149 32.92607 3071.32946 3364.00000 0.00030
2150 32.93907 3105.36816 3481.00000 0.00029
2151 32.95207 3104.69695 3528.36011 0.00028
2152 32.96507 3083.26263 3528.36011 0.00028
2153 32.97807 3044.23580 3433.95972 0.00029
2154 32.99107 2990.49574 3352.41016 0.00030
2155 33.00407 2922.26619 3226.23999 0.00031
2156 33.01707 2843.38315 3080.25000 0.00032
2157 33.03007 2757.48346 2970.25000 0.00034
2158 33.04307 2666.69364 2798.41016 0.00036
2159 33.05607 2573.42382 2601.00000 0.00038
2160 33.06907 2483.06696 2560.35986 0.00039
2161 33.08207 2398.51020 2530.08984 0.00040
2162 33.09507 2321.49880 2332.88989 0.00043
2163 33.10807 2252.91357 2371.69019 0.00042
2164 33.12107 2195.95799 2342.56006 0.00043
2165 33.13407 2148.14906 2171.55981 0.00046
2166 33.14707 2109.13371 2106.81006 0.00047
2167 33.16007 2078.25116 2152.96021 0.00046
2168 33.17307 2055.75755 2125.20996 0.00047
2169 33.18607 2041.01005 2106.81006 0.00047
2170 33.19907 2033.01453 2143.68994 0.00047
2171 33.21207 2031.10284 2152.96021 0.00046
2172 33.22507 2034.10761 2246.76025 0.00045
2173 33.23807 2041.95287 2391.21021 0.00042
2174 33.25107 2052.29206 2361.95996 0.00042
2175 33.26407 2062.27628 2381.43994 0.00042
2176 33.27707 2070.34594 2313.60986 0.00043
2177 33.29007 2075.80065 2275.29004 0.00044
2178 33.30307 2076.97224 2352.25000 0.00043
2179 33.31607 2070.91338 2227.84009 0.00045
2180 33.32907 2061.02779 2134.44019 0.00047
2181 33.34207 2048.33595 2190.23999 0.00046
2182 33.35507 2033.56310 2171.55981 0.00046
2183 33.36807 2016.22473 2162.25000 0.00046
2184 33.38107 1997.87580 2070.25000 0.00048
2185 33.39407 1979.57638 1998.09009 0.00050
2186 33.40707 1962.03156 1989.15991 0.00050
2187 33.42007 1945.64883 1918.43994 0.00052
2188 33.43307 1931.96626 1909.69006 0.00052
2189 33.44607 1922.37178 1962.48999 0.00051
2190 33.45907 1917.82795 1866.24011 0.00054
2191 33.47207 1918.56726 1874.88989 0.00053
2192 33.48507 1925.10670 1909.69006 0.00052
2193 33.49807 1937.42195 1944.80981 0.00051
2194 33.51107 1955.77693 1918.43994 0.00052
2195 33.52407 1978.37421 1883.56018 0.00053
2196 33.53707 2004.47072 1857.60986 0.00054
2197 33.55007 2032.14802 1883.56018 0.00053
2198 33.56307 2057.22561 1849.00000 0.00054
2199 33.57607 2077.57517 1823.29004 0.00055
2200 33.58907 2091.88989 1840.41016 0.00054
2201 33.60207 2098.35520 1909.69006 0.00052
2202 33.61507 2092.45501 1953.64001 0.00051
2203 33.62807 2079.52376 1892.25000 0.00053
2204 33.64107 2060.59462 1866.24011 0.00054
2205 33.65407 2036.56340 1849.00000 0.00054
2206 33.66707 2006.84559 1840.41016 0.00054
2207 33.68007 1973.84395 1806.25000 0.00055
2208 33.69307 1938.32482 1764.00000 0.00057
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4813 67.55807 975.89225 1004.89008 0.00100
4814 67.57107 976.47920 1017.60999 0.00098
4815 67.58407 977.03916 1024.00000 0.00098
4816 67.59707 977.58842 1004.89008 0.00100
4817 67.61007 978.12088 992.25000 0.00101
4818 67.62307 978.62596 1011.23993 0.00099
4819 67.63607 979.08941 1017.60999 0.00098
4820 67.64907 979.48713 1030.40991 0.00097
4821 67.66207 979.78324 1017.60999 0.00098
4822 67.67507 979.89025 1004.89008 0.00100
4823 67.68807 979.81050 1011.23993 0.00099
4824 67.70107 979.53809 1004.89008 0.00100
4825 67.71407 979.05422 1024.00000 0.00098
4826 67.72707 978.28987 1024.00000 0.00098
4827 67.74007 977.25892 1049.76013 0.00095
4828 67.75307 976.02632 1043.28992 0.00096
4829 67.76607 974.59540 1004.89008 0.00100
4830 67.77907 972.95787 1011.23993 0.00099
4831 67.79207 971.10201 1004.89008 0.00100
4832 67.80507 969.15529 1004.89008 0.00100
4833 67.81807 967.12521 1024.00000 0.00098
4834 67.83107 965.04983 1017.60999 0.00098
4835 67.84407 962.90503 1036.84009 0.00096
4836 67.85707 960.79324 1011.23993 0.00099
4837 67.87007 958.70098 967.21002 0.00103
4838 67.88307 956.64916 998.56000 0.00100
4839 67.89607 954.62855 1036.84009 0.00096
4840 67.90907 952.61956 1017.60999 0.00098
4841 67.92207 950.60353 979.68994 0.00102
4842 67.93507 948.57029 967.21002 0.00103
4843 67.94807 946.50077 967.21002 0.00103
4844 67.96107 944.31385 1011.23993 0.00099
4845 67.97407 941.98566 1004.89008 0.00100
4846 67.98707 939.53298 973.44006 0.00103
4847 68.00007 936.95405 973.44006 0.00103
4848 68.01307 934.20405 973.44006 0.00103
4849 68.02607 931.25692 954.81000 0.00105
4850 68.03907 928.19988 967.21002 0.00103
4851 68.05207 925.05592 979.68994 0.00102
4852 68.06507 921.85609 998.56000 0.00100
4853 68.07807 918.56949 992.25000 0.00101
4854 68.09107 915.28443 936.36005 0.00107
4855 68.10407 912.02691 948.63995 0.00105
4856 68.11707 908.82713 936.36005 0.00107
4857 68.13007 905.68229 973.44006 0.00103
4858 68.14307 902.59571 967.21002 0.00103
4859 68.15607 899.58040 961.00000 0.00104
4860 68.16907 896.64333 930.25000 0.00107
4861 68.18207 893.78958 876.16003 0.00114
4862 68.19507 890.97787 967.21002 0.00103
4863 68.20807 888.22231 930.25000 0.00107
4864 68.22107 885.52507 918.08997 0.00109
4865 68.23407 882.89484 924.15997 0.00108
4866 68.24707 880.30993 924.15997 0.00108
4867 68.26007 877.78727 942.49005 0.00106
4868 68.27307 875.33907 894.00995 0.00112
4869 68.28607 872.97348 930.25000 0.00107
4870 68.29907 870.70620 882.09003 0.00113
4871 68.31207 868.53360 906.01001 0.00110
4872 68.32507 866.46604 948.63995 0.00105
4873 68.33807 864.50743 961.00000 0.00104
4874 68.35107 862.68473 900.00000 0.00111
4875 68.36407 860.98033 876.16003 0.00114
4876 68.37707 859.39182 912.04004 0.00110
4877 68.39007 857.92395 894.00995 0.00112
4878 68.40307 856.58836 936.36005 0.00107
4879 68.41607 855.37713 882.09003 0.00113
4880 68.42907 854.27219 888.03998 0.00113
4881 68.44207 853.28622 846.81000 0.00118
4882 68.45507 852.41376 894.00995 0.00112
4883 68.46807 851.65926 894.00995 0.00112
4884 68.48107 850.99571 829.43994 0.00121
4885 68.49407 850.42790 888.03998 0.00113
4886 68.50707 849.94967 882.09003 0.00113
4887 68.52007 849.56742 948.63995 0.00105
4888 68.53307 849.25227 930.25000 0.00107
4889 68.54607 848.99876 858.48993 0.00116
4890 68.55907 848.79366 858.48993 0.00116
4891 68.57207 848.63593 841.00000 0.00119
4892 68.58507 848.50517 870.25000 0.00115
4893 68.59807 848.38685 882.09003 0.00113
4894 68.61107 848.24997 858.48993 0.00116
4895 68.62407 848.09916 858.48993 0.00116
4896 68.63707 847.92644 806.56000 0.00124
4897 68.65007 847.71417 858.48993 0.00116
4898 68.66307 847.44518 864.35999 0.00116
4899 68.67607 847.11743 864.35999 0.00116
4900 68.68907 846.75323 829.43994 0.00121
4901 68.70207 846.34294 789.61005 0.00127
4902 68.71507 845.88741 817.96002 0.00122
4903 68.72807 845.37963 876.16003 0.00114
4904 68.74107 844.85925 835.20996 0.00120
4905 68.75407 844.32046 823.69006 0.00121
4906 68.76707 843.76802 806.56000 0.00124
4907 68.78007 843.20299 806.56000 0.00124
4908 68.79307 842.64340 778.40997 0.00128
4909 68.80607 842.08745 800.88995 0.00125
4910 68.81907 841.53355 829.43994 0.00121
4911 68.83207 840.97694 784.00000 0.00128
4912 68.84507 840.42081 772.83997 0.00129
4913 68.85807 839.87363 806.56000 0.00124
4914 68.87107 839.32838 806.56000 0.00124
4915 68.88407 838.78583 817.96002 0.00122
4916 68.89707 838.24332 800.88995 0.00125
4917 68.91007 837.72121 778.40997 0.00128
4918 68.92307 837.21375 784.00000 0.00128
4919 68.93607 836.72085 817.96002 0.00122
4920 68.94907 836.24617 812.25000 0.00123
4921 68.96207 835.79716 823.69006 0.00121
4922 68.97507 835.36401 795.24005 0.00126
4923 68.98807 834.94447 784.00000 0.00128
4924 69.00107 834.53827 800.88995 0.00125
4925 69.01407 834.14222 812.25000 0.00123
4926 69.02707 833.73987 846.81000 0.00118
4927 69.04007 833.32860 823.69006 0.00121
4928 69.05307 832.90371 795.24005 0.00126
4929 69.06607 832.46157 789.61005 0.00127
4930 69.07907 831.97921 795.24005 0.00126
4931 69.09207 831.46818 812.25000 0.00123
4932 69.10507 830.92799 823.69006 0.00121
4933 69.11807 830.36259 806.56000 0.00124
4934 69.13107 829.75724 800.88995 0.00125
4935 69.14407 829.13155 817.96002 0.00122
4936 69.15707 828.48824 829.43994 0.00121
4937 69.17007 827.83389 817.96002 0.00122
4938 69.18307 827.16843 806.56000 0.00124
4939 69.19607 826.49686 795.24005 0.00126
4940 69.20907 825.82343 823.69006 0.00121
4941 69.22207 825.14962 846.81000 0.00118
4942 69.23507 824.47474 795.24005 0.00126
4943 69.24807 823.79454 772.83997 0.00129
4944 69.26107 823.10986 812.25000 0.00123
4945 69.27407 822.41931 806.56000 0.00124
4946 69.28707 821.72979 800.88995 0.00125
4947 69.30007 821.03572 829.43994 0.00121
4948 69.31307 820.34069 812.25000 0.00123
4949 69.32607 819.64626 767.29004 0.00130
4950 69.33907 818.95533 795.24005 0.00126
4951 69.35207 818.27291 823.69006 0.00121
4952 69.36507 817.60227 806.56000 0.00124
4953 69.37807 816.94574 812.25000 0.00123
4954 69.39107 816.30593 829.43994 0.00121
4955 69.40407 815.69309 817.96002 0.00122
4956 69.41707 815.10456 800.88995 0.00125
4957 69.43007 814.53965 778.40997 0.00128
4958 69.44307 813.99903 789.61005 0.00127
4959 69.45607 813.49239 784.00000 0.00128
4960 69.46907 813.02124 784.00000 0.00128
4961 69.48207 812.58078 778.40997 0.00128
4962 69.49507 812.16954 772.83997 0.00129
4963 69.50807 811.79236 829.43994 0.00121
4964 69.52107 811.45251 761.76001 0.00131
4965 69.53407 811.14336 812.25000 0.00123
4966 69.54707 810.86432 795.24005 0.00126
4967 69.56007 810.61705 745.28998 0.00134
4968 69.57307 810.41112 817.96002 0.00122
4969 69.58607 810.23835 812.25000 0.00123
4970 69.59907 810.09852 812.25000 0.00123
4971 69.61207 809.99127 852.64001 0.00117
4972 69.62507 809.92674 784.00000 0.00128
4973 69.63807 809.89852 812.25000 0.00123
4974 69.65107 809.90737 858.48993 0.00116
4975 69.66407 809.95213 806.56000 0.00124
4976 69.67707 810.04082 852.64001 0.00117
4977 69.69007 810.17178 789.61005 0.00127
4978 69.70307 810.34551 745.28998 0.00134
4979 69.71607 810.55968 800.88995 0.00125
4980 69.72907 810.81945 812.25000 0.00123
4981 69.74207 811.12734 829.43994 0.00121
4982 69.75507 811.47999 846.81000 0.00118
4983 69.76807 811.87339 864.35999 0.00116
4984 69.78107 812.30882 835.20996 0.00120
4985 69.79407 812.78896 789.61005 0.00127
4986 69.80707 813.30489 806.56000 0.00124
4987 69.82007 813.85149 852.64001 0.00117
4988 69.83307 814.42188 823.69006 0.00121
4989 69.84607 815.00728 784.00000 0.00128
4990 69.85907 815.59859 795.24005 0.00126
4991 69.87207 816.18637 823.69006 0.00121
4992 69.88507 816.75966 756.25000 0.00132
4993 69.89807 817.30043 812.25000 0.00123
4994 69.91107 817.79969 823.69006 0.00121
4995 69.92407 818.24505 806.56000 0.00124
4996 69.93707 818.63373 876.16003 0.00114
4997 69.95007 818.95375 846.81000 0.00118
4998 69.96307 819.19894 772.83997 0.00129
4999 69.97607 819.36362 750.75995 0.00133

#==============================================================================
# Reflections Data Block
#==============================================================================
_reflns_number_total             
? #Can find this by looking at line numbers in table below
_reflns_limit_h_min              ? #All of these - see table below
_reflns_limit_h_max              ?
_reflns_limit_k_min              ?
_reflns_limit_k_max              ?
_reflns_limit_l_min              ?
_reflns_limit_l_max              ?
_reflns_d_resolution_high        ? #Look in column 4 below
_reflns_d_resolution_low         ?
# start Validation Reply Form
_vrf_ATOM006_I                   
;
PROBLEM: _atom_site_U_iso_or_equiv is missing
RESPONSE: Thermal parameters quoted in Beq
;
_vrf_GEOM001_I                   
;
PROBLEM: _geom_bond_atom_site_label_1 is missing
RESPONSE: Topas is used for Rietveld refinement. 
The list of bonds generated by Topas is not suitable for checkcif
;
_vrf_GEOM003_I                   
;
PROBLEM: _geom_bond_distance is missing
RESPONSE: Topas is used for Rietveld refinement. 
The list of bonds generated by Topas is not suitable for checkcif
;
_vrf_GEOM006_I                   
;
PROBLEM: _geom_angle_atom_site_label_2 is missing
RESPONSE: Topas is used for Rietveld refinement. 
The list of angles generated by Topas is not suitable for checkcif
;
_vrf_GEOM007_I                   
;
PROBLEM: _geom_angle_atom_site_label_3 is missing
RESPONSE: Topas is used for Rietveld refinement. 
The list of angles generated by Topas is not suitable for checkcif
;
# end Validation Reply Form
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
