#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2212299.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2212299_Fobs
loop_
_publ_author_name
'Kwak, Jung-Eun'
'Hahn, Song-I'
'Yun, Hoseop'
_publ_section_title
;
 A new pseudo-two-dimensional niobium chloride selenide,
 Nb~3~Se~10~Cl~3~
;
_journal_coeditor_code           MG2013
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i27
_journal_page_last               i29
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 95.598
_cell_angle_gamma                90.000
_cell_length_a                   7.2074
_cell_length_b                   18.9739
_cell_length_c                   11.8338
_exptl_crystal_F_000             2056.00
_reflns_d_resolution_high        0.7701
_[local]_cod_data_source_file    mg2013Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Nb3Se10Cl3 P21/m(#11)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            697.33
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
2 0 0 28204.37 30360.51 570.60 o
3 0 0 35631.48 34523.38 722.39 o
4 0 0 7469.31 8186.89 505.37 o
5 0 0 2700.09 1684.62 490.70 o
6 0 0 1992.62 3283.10 314.68 o
7 0 0 6397.11 6852.39 434.81 o
8 0 0 1769.25 1265.41 384.89 o
9 0 0 23.92 -317.66 358.63 o
1 1 0 3409.56 3223.43 156.52 o
2 1 0 265.32 527.60 101.27 o
3 1 0 18025.20 16607.30 280.33 o
4 1 0 133198.05 136754.17 2240.24 o
5 1 0 750.49 677.23 164.28 o
6 1 0 9736.33 11104.12 400.12 o
7 1 0 888.49 653.93 143.31 o
8 1 0 1271.68 527.24 198.81 o
9 1 0 268.13 87.57 274.04 o
1 2 0 6939.78 6327.60 136.12 o
2 2 0 5047.72 5206.28 213.28 o
3 2 0 54487.56 52152.93 719.51 o
4 2 0 110438.27 114272.48 1754.31 o
5 2 0 1870.56 1130.07 151.49 o
6 2 0 5091.04 5685.49 409.70 o
7 2 0 21228.01 20331.89 673.17 o
8 2 0 4299.56 3570.27 341.31 o
9 2 0 3247.77 942.39 342.61 o
1 3 0 701.15 775.72 117.12 o
2 3 0 1648.91 1917.24 122.71 o
3 3 0 29501.30 28401.05 390.42 o
4 3 0 172688.66 185360.81 3317.29 o
5 3 0 6746.95 6077.48 325.27 o
6 3 0 13623.84 14780.91 593.66 o
7 3 0 6946.02 6734.20 351.41 o
8 3 0 14943.83 12653.25 1097.99 o
9 3 0 3976.45 2333.12 436.35 o
0 4 0 24398.14 25121.62 588.56 o
1 4 0 44767.64 40983.34 509.22 o
2 4 0 44358.13 44787.44 589.83 o
3 4 0 6473.47 5963.44 358.44 o
4 4 0 2654.61 3262.18 189.46 o
5 4 0 14468.49 14577.38 709.59 o
6 4 0 74115.00 82005.34 1605.85 o
7 4 0 295.49 431.44 144.62 o
8 4 0 4751.72 3393.74 695.18 o
9 4 0 48.30 81.17 336.98 o
1 5 0 26695.61 23923.24 572.98 o
2 5 0 224173.64 219154.16 7076.58 o
3 5 0 1760.01 2285.24 206.37 o
4 5 0 29148.73 31530.67 614.60 o
5 5 0 10660.90 9650.59 248.98 o
6 5 0 5412.07 5186.82 316.45 o
7 5 0 1492.16 1413.94 259.25 o
8 5 0 814.41 215.37 206.63 o
9 5 0 272.85 -321.11 382.33 o
0 6 0 107216.88 114045.27 2303.50 o
1 6 0 3972.62 4415.03 256.01 o
2 6 0 250180.34 263272.50 5454.05 o
3 6 0 866.20 783.33 146.16 o
4 6 0 7386.33 7286.70 208.31 o
5 6 0 1974.50 2291.07 244.88 o
6 6 0 6306.75 6302.06 720.55 o
7 6 0 10186.77 9375.21 581.23 o
8 6 0 2652.11 1080.90 289.91 o
9 6 0 11066.29 11235.13 1494.78 o
1 7 0 848.31 805.42 117.60 o
2 7 0 18038.90 18858.35 338.37 o
3 7 0 3231.23 2719.35 337.92 o
4 7 0 2958.95 3302.10 491.08 o
5 7 0 2589.99 1907.32 154.41 o
6 7 0 3001.30 2147.97 483.18 o
7 7 0 2752.01 1030.29 283.54 o
8 7 0 18.65 226.81 452.35 o
0 8 0 104723.67 101996.13 2041.51 o
1 8 0 1487.77 1585.99 139.43 o
2 8 0 78440.17 75500.05 1208.85 o
3 8 0 5892.79 5563.96 1088.22 o
4 8 0 8.72 342.71 337.75 o
5 8 0 41776.88 36105.41 3476.80 o
6 8 0 407.96 118.68 217.66 o
7 8 0 6386.43 7323.01 968.98 o
8 8 0 9770.69 11498.85 920.37 o
1 9 0 25597.59 23645.34 419.40 o
2 9 0 47157.33 48162.52 662.73 o
3 9 0 1395.99 1436.80 302.19 o
4 9 0 4385.92 5201.78 398.21 o
5 9 0 13822.78 15734.86 860.87 o
6 9 0 4968.44 6072.26 1080.79 o
7 9 0 3240.19 2907.40 502.44 o
8 9 0 4496.39 3839.06 710.97 o
0 10 0 86076.09 83563.37 2434.92 o
1 10 0 3061.29 2822.77 130.64 o
2 10 0 3984.64 4261.84 134.38 o
3 10 0 7889.64 8170.11 457.09 o
4 10 0 121684.80 132650.48 3466.47 o
5 10 0 158.45 239.96 278.14 o
6 10 0 303.76 553.48 389.58 o
7 10 0 10277.92 10862.29 770.36 o
8 10 0 1517.55 1678.31 648.98 o
1 11 0 33167.90 31217.98 508.14 o
2 11 0 8676.87 9301.77 348.00 o
3 11 0 1857.62 1353.79 153.94 o
4 11 0 5192.17 5492.24 488.30 o
5 11 0 34.93 -317.67 326.16 o
6 11 0 8412.81 11666.51 708.81 o
7 11 0 1281.62 880.61 834.42 o
8 11 0 19444.29 23934.31 1475.91 o
0 12 0 134373.91 137542.73 3705.14 o
1 12 0 15509.08 14658.65 418.49 o
2 12 0 11441.26 12200.17 452.00 o
3 12 0 566.76 462.06 130.56 o
4 12 0 647.46 416.05 460.74 o
5 12 0 17627.31 18949.89 898.14 o
6 12 0 6940.28 8133.82 696.53 o
7 12 0 641.97 1368.44 530.29 o
8 12 0 6568.14 8818.15 1269.43 o
1 13 0 10644.60 9689.91 323.96 o
2 13 0 8607.74 8933.31 266.68 o
3 13 0 1974.04 1665.64 228.23 o
4 13 0 610.04 897.82 362.27 o
5 13 0 9793.16 9909.27 838.56 o
6 13 0 520.29 791.97 508.21 o
7 13 0 76.58 391.78 466.11 o
0 14 0 287.05 291.04 447.79 o
1 14 0 15294.80 14378.82 425.17 o
2 14 0 831.45 648.02 159.28 o
3 14 0 64.44 114.38 98.55 o
4 14 0 3916.96 4079.52 497.17 o
5 14 0 44140.66 47616.54 1779.41 o
6 14 0 24.41 879.01 482.73 o
7 14 0 2396.81 2522.09 659.59 o
1 15 0 17629.81 16957.54 403.16 o
2 15 0 9581.03 9785.97 422.74 o
3 15 0 1428.55 1410.78 286.26 o
4 15 0 1107.93 749.32 522.12 o
5 15 0 0.54 764.85 517.48 o
6 15 0 3512.31 3319.25 571.66 o
7 15 0 1772.64 1022.16 586.32 o
0 16 0 150.09 271.73 313.55 o
1 16 0 21909.45 20357.13 536.73 o
2 16 0 4155.64 4711.78 224.26 o
3 16 0 27627.69 28128.63 589.97 o
4 16 0 255.08 62.16 363.65 o
5 16 0 5854.67 5307.51 879.77 o
6 16 0 27857.89 34964.41 1653.55 o
7 16 0 1288.09 402.69 552.75 o
1 17 0 2110.23 2235.70 303.18 o
2 17 0 20816.65 22419.92 515.00 o
3 17 0 3725.50 2853.57 200.13 o
4 17 0 1385.99 1692.75 418.85 o
5 17 0 796.53 941.22 584.81 o
6 17 0 1643.05 1500.48 524.92 o
0 18 0 38831.34 40484.79 1067.70 o
1 18 0 35399.29 36245.04 829.94 o
2 18 0 15475.68 16776.89 446.21 o
3 18 0 2597.23 1774.29 350.57 o
4 18 0 5492.10 5359.24 788.56 o
5 18 0 5284.53 5676.79 1302.90 o
6 18 0 195.94 -331.72 523.09 o
1 19 0 3116.20 2456.90 269.23 o
2 19 0 2891.75 2057.05 376.51 o
3 19 0 14733.08 15358.66 1012.87 o
4 19 0 3027.72 2049.99 808.68 o
5 19 0 20024.39 24788.24 1532.17 o
0 20 0 34752.04 34909.63 2104.38 o
1 20 0 8247.70 8781.60 278.61 o
2 20 0 13860.57 13527.05 411.94 o
3 20 0 807.33 623.10 407.35 o
4 20 0 4459.62 3969.21 639.24 o
5 20 0 910.02 140.62 419.96 o
1 21 0 1447.25 1079.07 210.09 o
2 21 0 3713.23 3051.99 347.81 o
3 21 0 3311.24 2343.50 584.42 o
4 21 0 24.93 361.64 401.09 o
0 22 0 17713.91 17617.01 666.86 o
1 22 0 19171.78 16849.19 852.52 o
2 22 0 574.82 663.02 350.05 o
3 22 0 8390.78 8565.47 747.93 o
4 22 0 11041.38 14691.27 2106.97 o
1 23 0 2943.10 2059.85 318.15 o
2 23 0 8986.45 11004.25 1088.85 o
3 23 0 4538.39 3188.48 596.32 o
0 24 0 10472.38 9282.75 540.91 o
1 24 0 12317.54 10016.27 977.76 o
2 24 0 773.57 1263.60 880.13 o
-9 0 1 5473.71 4330.04 998.10 o
-8 0 1 13658.10 10899.68 713.70 o
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-6 0 1 22897.13 21581.23 1732.26 o
-5 0 1 4748.85 5739.34 838.95 o
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-3 0 1 101050.98 101348.62 1980.13 o
-2 0 1 2932.21 3038.96 211.20 o
-1 0 1 277005.13 272811.16 8769.53 o
1 0 1 194178.16 194992.25 4916.76 o
2 0 1 27619.10 25024.30 698.17 o
3 0 1 1971.53 1899.47 157.78 o
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5 0 1 844.64 791.05 218.03 o
6 0 1 325.41 404.60 199.35 o
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8 0 1 8255.82 2061.22 681.05 o
9 0 1 11271.37 8013.96 955.28 o
-9 1 1 683.70 547.08 263.07 o
-8 1 1 835.36 1102.93 199.33 o
-7 1 1 1068.36 820.38 243.23 o
-6 1 1 7.11 -231.25 231.25 o
-5 1 1 439.60 238.22 163.66 o
-4 1 1 11079.98 11745.03 289.29 o
-3 1 1 53934.78 53499.82 753.84 o
-2 1 1 2380.49 2106.10 142.45 o
-1 1 1 37.87 101.61 86.36 o
1 1 1 78999.56 78412.48 1052.79 o
2 1 1 13487.83 12247.16 289.20 o
3 1 1 38519.17 37779.85 519.44 o
4 1 1 977.84 917.46 109.08 o
5 1 1 2876.82 2672.93 186.74 o
6 1 1 14406.61 14586.90 365.99 o
7 1 1 4281.61 5029.12 613.25 o
8 1 1 1042.87 486.77 168.42 o
9 1 1 93.92 -219.88 236.12 o
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7 2 1 373.79 157.35 193.50 o
8 2 1 235.09 211.08 187.41 o
9 2 1 4.91 388.86 310.03 o
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-1 3 1 3.75 335.25 144.12 o
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8 3 1 3438.59 2564.86 495.73 o
9 3 1 40.38 228.28 309.94 o
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1 4 1 2188.76 2286.17 131.97 o
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4 4 1 3044.53 2724.51 150.35 o
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8 4 1 223.17 269.33 165.61 o
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-9 5 1 2404.35 1000.40 477.38 o
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0 5 1 4839.04 4482.75 181.90 o
1 5 1 22941.07 24904.05 337.30 o
2 5 1 58066.50 54762.19 1200.10 o
3 5 1 13276.30 12968.97 500.22 o
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0 6 1 402.30 467.46 110.44 o
1 6 1 28298.73 30100.38 379.77 o
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7 6 1 1123.88 911.75 188.01 o
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