#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/07/2200705.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_2200705_Fobs
loop_
_publ_author_name
'Yano, Shigenobu'
'Numata, Momoko'
'Kato, Masako'
'Motoo, Shiro'
'Nishimura, Toshio'
_publ_section_title
;
 <i>catena</i>-Poly[[aqua(benzoato)(<i>N</i>,<i>N</i>'-dimethylformamide)calcium(II)]-\m-benzoato]
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m488
_journal_page_last               m490
_journal_volume                  57
_journal_year                    2001
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_data_source_file    ob6064Isup2.hkl
_[local]_cod_data_source_block   I
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_F_squared_calc
_refln_observed_status
1 0 -3 1118.10 22.48 959.15 o
0 1 1 1820.58 17.22 1941.12 o
0 0 4 6334.95 29.55 6498.43 o
0 1 2 4883.81 24.53 5068.43 o
1 0 3 6001.90 120.92 5806.26 o
1 1 0 1542.11 25.38 1591.14 o
1 1 -1 1441.35 22.58 1456.78 o
1 1 1 415.61 25.20 378.71 o
1 1 -2 18.19 20.99 1.12 o
2 0 0 1994.10 53.33 2063.43 o
2 0 -2 191.71 33.59 197.46 o
0 1 3 920.79 16.90 955.19 o
-1 -1 -2 1277.63 35.08 1322.87 o
1 1 -3 156.73 22.39 226.97 o
1 0 -5 375.03 26.60 322.40 o
2 0 2 16639.92 1089.18 15688.10 o
2 0 -4 20702.30 112.85 20743.75 o
1 1 3 15686.95 69.25 15924.92 o
1 1 -4 478.58 25.21 584.68 o
2 1 -1 856.42 69.99 818.15 o
2 1 0 6553.26 340.34 7363.40 o
2 1 -2 20012.41 152.37 20255.01 o
1 0 5 1003.35 39.24 1084.12 o
2 1 1 2023.49 147.00 2208.61 o
0 0 6 7.00 25.19 36.71 o
2 1 -3 7510.42 179.79 7905.11 o
1 1 4 8996.56 34.57 9155.05 o
0 1 5 1179.67 21.14 1284.27 o
1 1 -5 81.16 22.39 115.70 o
2 1 2 1106.90 96.59 1339.34 o
2 1 -4 1211.86 97.99 1221.27 o
2 0 4 5845.17 365.42 5761.61 o
3 0 -1 769.65 61.59 811.13 o
2 0 -6 3519.42 63.39 3677.83 o
3 0 -3 27192.58 180.29 26637.50 o
1 1 5 194.51 8.40 189.50 o
2 1 3 3610.38 39.87 3710.65 o
1 0 -7 9956.53 91.79 10094.52 o
1 1 -6 23.79 43.38 64.03 o
0 1 6 554.15 19.62 569.03 o
2 1 -5 520.57 11.24 530.18 o
3 0 1 4226.10 273.01 4246.94 o
0 2 0 405.82 57.38 314.57 o
0 2 1 25663.07 92.95 24655.96 o
0 2 2 696.89 25.23 744.79 o
1 2 0 78.36 29.39 58.46 o
1 2 -1 418.41 29.41 581.56 o
2 1 4 6500.08 52.06 6590.89 o
3 1 -1 2184.42 78.49 2189.08 o
3 1 -2 3585.19 106.59 3570.39 o
3 0 -5 7108.81 49.67 7145.71 o
-1 -2 -1 390.42 34.99 330.95 o
1 2 -2 309.26 29.39 227.07 o
2 1 -6 4217.70 148.60 4580.50 o
3 1 0 744.47 42.01 730.10 o
3 1 -3 2602.83 140.02 2345.74 o
0 2 3 13808.99 61.19 13845.13 o
1 1 6 954.37 12.74 982.65 o
1 1 -7 263.08 22.40 274.75 o
1 0 7 5740.22 101.39 5596.67 o
-1 -2 -2 299.47 29.39 235.74 o
1 2 -3 11.19 25.19 25.41 o
0 1 7 745.86 19.65 747.31 o
3 1 1 1045.33 117.56 888.28 o
3 0 3 17224.86 405.90 17361.56 o
3 1 -4 6133.44 90.36 5914.96 o
0 0 8 57.37 43.38 18.59 o
0 2 4 1190.86 39.27 1410.06 o
1 2 3 1020.14 19.70 1050.45 o
2 1 5 8170.93 132.58 8316.00 o
1 2 -4 438.00 29.40 312.52 o
2 0 6 1910.14 37.98 1909.78 o
3 1 2 12.59 33.58 7.04 o
2 1 -7 208.51 41.98 165.79 o
3 1 -5 6866.71 189.42 6973.58 o
2 2 -1 6183.82 58.68 6158.23 o
2 0 -8 719.28 47.60 733.43 o
2 2 0 88.16 33.59 117.33 o
2 2 -2 74.17 26.59 73.18 o
1 1 7 2900.90 46.56 3026.02 o
2 2 1 16.79 33.59 76.82 o
2 2 -3 530.36 67.18 534.25 o
1 2 4 2087.86 35.23 2065.48 o
0 2 5 103.55 20.99 90.39 o
3 0 -7 2497.88 47.82 2386.01 o
3 1 3 12.59 37.78 23.72 o
1 2 -5 622.72 29.42 688.25 o
0 1 8 769.65 33.62 745.66 o
3 1 -6 3131.79 254.77 3213.44 o
1 0 -9 5442.15 111.08 5434.05 o
-2 -2 -2 1111.10 83.99 1078.39 o
-2 -2 4 198.71 50.38 227.70 o
2 1 6 2770.75 66.01 2789.25 o
4 0 0 1761.81 70.06 1776.83 o
2 1 -8 131.54 57.37 129.54 o
4 0 -4 37609.50 305.89 37115.81 o
3 0 5 19952.23 1851.79 19750.61 o
1 2 5 310.66 25.20 307.93 o
-2 -2 -3 1209.06 243.50 1179.12 o
3 1 4 186.12 62.97 272.28 o
1 2 -6 4343.65 42.89 4427.35 o
0 2 6 348.44 19.60 324.44 o
2 2 -5 13.99 33.58 10.02 o
3 1 -7 3411.67 87.04 3499.59 o
1 1 8 16.79 16.79 12.24 o
4 1 -2 8.40 54.58 8.73 o
1 1 -9 965.57 15.52 997.73 o
4 1 -1 393.22 47.59 396.83 o
4 1 -3 528.96 71.38 542.57 o
4 0 2 270.08 58.78 371.31 o
0 1 9 1039.73 81.19 1002.18 o
4 1 0 30.79 39.18 13.79 o
-2 -2 -4 36.38 67.17 12.31 o
3 2 -2 261.68 43.38 261.60 o
1 0 9 13463.35 67.17 13392.84 o
2 1 7 4777.45 134.67 4680.78 o
4 1 -4 47.58 33.59 46.95 o
4 0 -6 20910.80 253.86 20493.01 o
2 2 -6 1099.91 37.85 1130.93 o
3 2 0 43.38 41.98 38.70 o
3 2 -3 125.94 62.97 90.16 o
1 2 6 1732.42 32.38 1813.23 o
3 1 5 8221.31 65.02 8041.85 o
2 1 -9 223.90 72.77 249.95 o
1 2 -7 15.39 26.59 15.05 o
4 1 1 7.00 57.37 1.05 o
0 2 7 5559.70 39.29 5292.60 o
2 0 8 26734.99 140.54 26420.12 o
3 2 1 477.19 89.56 428.10 o
3 1 -8 3922.44 84.33 3955.46 o
0 0 10 1297.22 58.84 1440.15 o
4 1 -5 3365.49 163.86 3286.73 o
3 2 -4 458.99 47.59 437.52 o
3 0 -9 3238.14 88.40 3265.81 o
2 0 -10 6118.05 82.07 6066.88 o
-2 -2 -5 13.99 47.58 6.94 o
4 1 2 83.96 39.18 135.83 o
3 2 2 260.28 43.38 200.45 o
2 2 -7 88.16 32.19 84.75 o
3 2 -5 289.67 78.37 229.16 o
1 1 9 284.07 37.79 336.84 o
4 1 -6 4417.81 365.33 3992.92 o
1 1 -10 89.56 25.19 91.55 o
1 2 7 22.39 26.59 8.66 o
3 1 6 4477.99 123.47 4502.75 o
2 1 8 6593.84 82.18 6364.23 o
1 2 -8 829.83 32.22 648.02 o
4 0 4 535.96 61.58 393.89 o
0 1 10 3898.65 130.38 4002.14 o
3 2 3 270.08 37.79 240.34 o
0 -3 -1 4936.98 166.79 4641.02 o
4 1 3 565.35 58.79 670.81 o
3 0 7 5680.05 324.84 5424.68 o
0 2 8 159.53 20.99 136.92 o
3 1 -9 2601.43 109.28 2701.67 o
2 1 -10 883.00 72.79 854.61 o
3 2 -6 1272.03 54.62 1089.55 o
4 0 -8 21318.02 193.52 20814.29 o
1 0 -11 9256.84 117.49 8657.32 o
0 3 2 975.36 58.81 1028.45 o
4 1 -7 7187.17 515.16 6944.74 o
-2 -2 -6 11.19 29.39 1.10 o
1 3 -1 46.18 69.97 76.32 o
-1 -3 0 370.83 43.39 363.47 o
-1 -3 -1 765.46 61.59 777.11 o
2 2 -8 55.97 33.59 103.07 o
1 3 -2 2637.81 46.48 2607.27 o
0 3 3 4867.01 48.54 4762.08 o
5 0 -3 1446.95 78.42 1405.55 o
-3 -2 -4 821.43 72.78 690.56 o
5 0 -1 9434.56 375.49 9145.04 o
-1 -3 -2 138.54 83.96 123.48 o
1 3 -3 1335.00 39.27 1241.95 o
4 1 4 303.66 41.99 335.28 o
3 2 -7 180.52 46.18 205.96 o
1 2 8 1880.75 22.70 1880.67 o
3 1 7 6381.13 183.75 6262.02 o
1 1 10 782.25 61.59 846.91 o
4 2 -2 104.95 69.97 86.40 o
1 2 -9 1095.71 33.66 1092.60 o
4 1 -8 2893.90 113.50 2922.32 o
4 2 -1 1284.62 134.37 1332.04 o
0 3 4 2912.09 71.61 2996.92 o
1 1 -11 534.56 33.60 543.50 o
5 0 -5 5671.65 106.93 5464.39 o
4 2 -3 314.86 96.56 319.68 o
-1 -3 -3 787.85 50.40 857.04 o
1 3 -4 3443.85 50.83 3328.14 o
2 1 9 1593.88 46.28 1535.10 o
3 1 -10 2248.79 53.36 2197.07 o
4 2 0 432.41 41.99 465.45 o
0 2 9 3681.75 35.75 3685.83 o
2 3 -1 382.03 83.97 441.16 o
5 0 1 6999.65 474.59 6860.94 o
-2 -2 -7 34.98 39.18 7.36 o
4 2 -4 107.75 54.58 95.66 o
2 3 0 19.59 41.98 1.15 o
2 3 -2 787.85 43.42 929.75 o
0 1 11 2700.79 92.53 2816.50 o
2 1 -11 1893.35 65.88 1845.01 o
5 1 -2 9.80 50.38 6.44 o
5 1 -3 76.97 86.76 19.74 o
3 2 5 268.68 37.79 216.56 o
2 2 -9 12.59 67.17 2.03 o
5 1 -1 780.85 113.36 643.20 o
-2 -3 -1 1875.16 138.59 1864.63 o
4 2 1 677.30 116.16 704.71 o
2 3 -3 965.57 46.22 956.51 o
1 0 11 6158.63 148.83 6052.23 o
3 0 -11 36.38 65.77 113.78 o
5 1 -4 79.76 58.77 63.17 o
4 1 5 7.00 46.18 15.63 o
1 3 4 481.38 47.58 319.06 o
0 3 5 7763.71 56.75 7778.63 o
3 2 -8 19.59 32.19 17.33 o
4 2 -5 333.05 37.79 424.86 o
1 3 -5 454.80 29.40 471.08 o
2 0 10 282.67 58.78 360.29 o
4 0 6 18.19 46.18 27.51 o
5 1 0 349.84 37.79 400.29 o
-2 -3 -2 19.59 61.57 15.73 o
5 1 -5 5277.03 226.94 5178.06 o
2 3 -4 666.10 35.02 777.73 o
4 1 -9 624.12 88.17 630.32 o
4 2 2 1368.58 75.61 1347.55 o
2 0 -12 2220.80 61.73 2234.96 o
5 0 -7 15197.17 159.68 15299.22 o
0 0 12 1018.74 47.61 883.02 o
3 1 8 5047.53 284.24 4857.91 o
4 0 -10 1144.69 47.63 1051.53 o
-1 -2 -9 1.40 22.39 18.43 o
5 1 1 1980.11 184.76 1945.32 o
4 2 -6 48.98 61.57 57.62 o
1 2 -10 1409.17 33.69 1302.76 o
1 3 5 237.89 41.98 174.41 o
-2 -3 -3 755.66 156.74 861.93 o
5 1 -6 142.74 53.18 88.33 o
1 3 -6 7769.31 89.50 7699.08 o
-3 -2 -6 1010.35 65.80 1003.46 o
0 3 6 2966.67 39.60 2843.15 o
2 3 -5 12247.30 118.68 12152.93 o
1 1 11 797.64 58.79 758.02 o
3 1 -11 2576.24 57.61 2584.84 o
2 2 8 344.25 15.41 330.91 o
5 0 3 1130.69 138.56 1081.51 o
0 -2 -10 552.75 21.02 572.30 o
1 1 -12 832.63 33.62 776.58 o
4 2 3 8329.06 235.67 8190.93 o
2 1 10 2858.92 27.18 2809.85 o
3 0 9 106.35 34.98 81.87 o
4 1 6 6778.55 274.61 6684.13 o
3 2 -9 230.90 46.18 259.23 o
2 2 -10 46.18 33.58 20.62 o
5 1 2 1644.26 113.40 1609.04 o
4 2 -7 5218.26 363.99 5253.29 o
2 1 -12 3779.70 63.41 3682.92 o
5 1 -7 2266.98 219.75 2189.41 o
-2 -3 -4 478.58 54.58 501.08 o
3 3 -1 866.21 47.61 888.23 o
3 3 -2 4223.30 67.67 4016.93 o
0 1 12 1241.24 58.83 1281.83 o
4 1 -10 987.96 92.38 989.32 o
2 3 -6 338.65 41.99 312.29 o
3 3 0 1202.06 96.59 1394.72 o
3 3 -3 109.15 37.78 121.00 o
1 3 6 8650.91 53.08 8217.88 o
1 3 -7 198.71 32.19 202.71 o
0 3 7 5039.14 40.51 5208.34 o
3 3 1 404.42 47.59 390.79 o
4 2 4 251.89 41.98 158.54 o
5 1 3 1802.39 84.03 1720.36 o
1 0 -13 6322.36 126.55 6087.72 o
3 3 -4 4045.58 55.19 4119.17 o
3 1 9 2030.49 121.81 1947.57 o
-3 -2 -7 106.35 75.57 82.54 o
-1 -2 -10 5027.94 154.23 4680.19 o
4 2 -8 1287.42 81.20 1230.26 o
1 2 -11 96.56 29.39 85.15 o
5 0 -9 432.41 100.76 552.18 o
5 1 -8 1768.81 155.37 1827.65 o
-2 -3 -5 7161.98 284.39 6433.95 o
-3 -3 -2 6470.69 204.76 6950.67 o
2 2 9 650.71 12.66 666.08 o
3 2 -10 2243.19 47.79 2227.37 o
4 1 7 519.17 61.58 465.05 o
2 3 -7 2608.43 54.83 2615.42 o
3 1 -12 183.32 54.58 192.77 o
3 3 -5 166.53 43.38 185.64 o
0 2 11 2264.18 33.90 2301.93 o
2 2 -11 1283.22 75.61 1271.48 o
5 2 -2 2244.59 88.28 2332.66 o
5 2 -3 1042.53 89.58 958.13 o
1 1 12 25.19 34.98 30.48 o
5 2 -1 11.19 75.57 0.60 o
5 1 4 3754.51 172.28 3702.70 o
2 1 11 141.34 34.99 128.24 o
1 3 -8 5643.66 59.71 5083.57 o
4 1 -11 404.42 92.36 350.40 o
5 2 -4 590.53 78.38 654.48 o
4 2 5 242.09 46.18 236.34 o
4 0 8 12.59 65.77 8.18 o
5 0 5 1120.90 117.57 1154.90 o
1 1 -13 3467.64 61.97 3534.79 o
6 0 -2 1476.34 142.77 1560.68 o
-3 -3 -3 1362.99 79.80 1182.23 o
6 0 -4 1939.53 81.27 2153.72 o
0 3 8 25.19 25.19 46.85 o
5 2 0 8863.62 634.16 8906.77 o
3 3 -6 3587.99 63.37 3532.93 o
2 1 -13 4959.37 105.42 4983.45 o
5 2 -5 358.24 89.56 343.81 o
5 1 -9 148.33 58.77 193.15 o
3 0 -13 356.84 53.18 461.87 o
4 2 -9 1879.36 134.39 1778.78 o
-2 -3 -6 619.92 53.19 726.21 o
4 0 -12 919.39 79.78 806.85 o
0 1 13 745.86 43.41 753.98 o
-3 -2 -8 50.38 62.97 13.96 o
-2 -3 8 836.82 93.77 711.09 o
5 2 1 552.75 110.55 484.71 o
6 0 0 11424.47 177.77 11271.70 o
5 2 -6 382.03 86.76 347.99 o
-3 -3 -4 4329.65 245.04 4249.66 o
6 0 -6 1868.16 88.24 1823.43 o
3 1 10 127.34 71.37 119.96 o
1 0 13 96.56 43.38 48.95 o
1 2 11 580.74 21.02 536.23 o
2 0 12 452.00 54.58 446.83 o
3 2 -11 36.38 39.18 5.78 o
4 1 8 153.93 53.18 111.07 o
5 1 5 348.44 46.18 278.99 o
6 1 -3 535.96 58.78 551.96 o
3 3 -7 1279.03 53.24 1303.35 o
6 1 -2 1158.68 89.59 1049.46 o
1 2 -12 3222.75 43.84 3139.73 o
-2 -2 -10 61.57 61.57 67.27 o
1 3 8 180.52 16.80 208.00 o
4 2 6 90.96 46.18 26.72 o
5 2 2 1453.95 81.21 1440.24 o
4 3 -2 712.28 57.39 590.64 o
6 1 -1 97.96 67.17 74.38 o
1 3 -9 195.91 34.99 228.58 o
2 0 -14 198.71 61.57 126.69 o
4 3 -1 2635.02 65.97 2553.55 o
3 1 -13 27.99 62.97 7.08 o
4 3 -3 7170.38 72.91 7603.23 o
6 1 -5 646.51 61.58 597.22 o
5 1 -10 82.56 54.58 47.02 o
4 3 0 699.69 54.59 732.43 o
5 2 -7 103.55 110.55 72.94 o
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4 1 -12 415.61 50.38 380.06 o
0 2 12 19.59 25.19 2.19 o
4 2 -10 470.19 89.56 439.15 o
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6 1 0 211.31 72.77 214.24 o
-4 -3 4 2141.04 142.80 2240.93 o
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-3 -3 -5 104.95 54.58 91.92 o
3 0 11 296.67 37.79 246.11 o
2 3 -9 6497.28 68.41 6462.14 o
5 0 -11 987.96 117.56 1031.41 o
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6 1 -6 744.47 72.78 730.44 o
4 3 1 6101.26 76.52 5999.14 o
1 1 13 214.10 34.99 159.99 o
2 1 12 27.99 34.98 26.61 o
5 2 3 174.92 71.37 170.26 o
0 4 0 6730.98 76.78 6833.05 o
3 3 -8 74.17 43.38 16.17 o
4 3 -5 1129.29 54.63 1277.39 o
0 -4 -1 678.70 104.96 763.63 o
1 1 -14 1392.37 35.10 1415.39 o
6 1 1 538.76 134.34 454.65 o
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5 1 6 432.41 46.19 423.14 o
2 1 -14 4097.36 154.14 3954.18 o
0 -4 -2 3441.05 245.01 3968.68 o
5 2 -8 187.52 67.17 202.98 o
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1 3 9 58.77 33.59 56.72 o
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2 2 11 3212.96 26.01 3250.55 o
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1 2 -13 99.36 33.59 92.99 o
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1 0 -15 2788.95 121.87 2675.15 o
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4 3 -7 275.68 54.58 230.84 o
1 4 -4 414.21 41.99 348.21 o
4 0 10 20.99 58.77 0.36 o
0 2 13 198.71 26.59 163.16 o
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5 1 7 153.93 34.99 102.67 o
6 0 4 7604.18 110.18 7481.41 o
6 1 3 394.62 96.56 329.33 o
2 4 -2 50.38 47.58 113.28 o
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4 2 8 598.93 53.19 595.90 o
5 2 5 281.27 50.38 257.59 o
6 2 -3 62.97 65.77 61.50 o
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6 2 -2 389.03 67.17 379.18 o
1 4 -5 183.32 81.16 175.70 o
2 1 13 118.95 25.19 127.76 o
4 0 -14 766.86 53.20 743.75 o
6 1 -9 61.57 62.97 84.46 o
6 2 -4 303.66 75.57 312.40 o
-3 -3 -7 177.72 65.77 134.40 o
1 1 14 282.67 43.38 260.60 o
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6 2 -1 2327.15 159.60 2396.59 o
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4 3 -8 20.99 50.38 18.17 o
5 1 -12 20.99 69.97 19.03 o
1 3 -11 127.34 34.99 182.98 o
2 4 -4 418.41 47.59 418.12 o
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