#------------------------------------------------------------------------------
#$Date: 2016-04-03 05:01:52 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181213 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/92/2229216.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_2229216_Fobs
loop_
_publ_author_name
'Cui, Yun-Cheng'
'Zhao, Yan-Hui'
_publ_section_title
;
 Disodium calcium dinickel(II) bis[diphosphate(V)] decahydrate
;
_journal_coeditor_code           SI2322
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i13
_journal_page_last               i14
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.9340
_cell_length_b                   32.7740
_cell_length_c                   10.9860
_exptl_crystal_F_000             2960.00
_reflns_d_resolution_high        0.8107
_cod_data_source_file            si2322Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 00 in Fdd2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            705.55
_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, z'
'-x+1/4, y+1/4, z+1/4'
'x+1/4, -y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x+1/4, y+3/4, z+3/4'
'x+1/4, -y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+3/4, y+1/4, z+3/4'
'x+3/4, -y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+3/4, y+3/4, z+1/4'
'x+3/4, -y+3/4, z+1/4'
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
1 1 -13 2350.88 2279.60 258.70 o
3 1 -13 12687.07 12941.39 537.99 o
1 3 -13 13664.84 13691.11 553.51 o
3 3 -13 2930.40 2908.44 284.17 o
1 5 -13 8554.98 8396.65 432.59 o
3 5 -13 13384.03 13463.59 552.62 o
1 7 -13 11217.26 11100.72 500.00 o
3 7 -13 6129.20 6644.24 400.69 o
1 9 -13 3572.64 3703.57 323.06 o
1 11 -13 6202.27 6515.86 408.32 o
0 0 -12 50293.12 53002.75 2446.41 o
4 0 -12 5602.09 5470.21 492.47 o
2 2 -12 6460.73 6395.37 371.13 o
4 2 -12 3871.09 4183.54 310.92 o
6 2 -12 510.02 759.56 225.00 o
0 4 -12 10931.08 10158.62 643.51 o
2 4 -12 21817.11 21920.26 688.17 o
4 4 -12 23169.69 21853.51 686.59 o
6 4 -12 8439.30 9321.97 523.74 o
2 6 -12 3007.73 3001.34 272.94 o
4 6 -12 2053.14 2248.01 243.54 o
6 6 -12 1537.86 1702.37 282.51 o
0 8 -12 21974.99 19836.58 1109.34 o
2 8 -12 9981.96 9775.00 451.18 o
4 8 -12 17010.43 16875.17 599.56 o
6 8 -12 3727.33 3532.75 361.96 o
2 10 -12 2921.42 3133.78 286.35 o
4 10 -12 2695.00 2965.61 276.51 o
0 12 -12 12133.81 12563.20 723.30 o
2 12 -12 1469.43 1173.83 209.76 o
4 12 -12 18236.06 19038.96 751.35 o
2 14 -12 925.35 995.96 206.21 o
4 14 -12 333.34 538.76 221.06 o
0 16 -12 220.00 405.67 262.09 o
2 16 -12 1741.23 1616.66 242.89 o
1 1 -11 9007.78 8993.12 413.24 o
3 1 -11 8524.23 8816.42 402.33 o
5 1 -11 13845.20 13823.17 508.89 o
7 1 -11 10017.50 9962.22 640.45 o
1 3 -11 4478.76 4370.55 302.42 o
3 3 -11 10428.55 10495.19 434.21 o
5 3 -11 1891.16 2239.73 231.67 o
7 3 -11 4607.92 4463.51 373.41 o
1 5 -11 12429.24 12552.92 479.79 o
3 5 -11 23404.35 23249.70 691.05 o
5 5 -11 7154.74 6741.30 359.18 o
7 5 -11 21691.49 22436.94 810.98 o
1 7 -11 11022.77 10960.18 542.76 o
3 7 -11 17892.28 17870.44 589.43 o
5 7 -11 8556.51 8315.67 404.74 o
7 7 -11 179.60 235.44 188.49 o
1 9 -11 2810.50 3196.47 264.08 o
3 9 -11 2743.51 2843.46 262.78 o
5 9 -11 1128.25 1302.59 236.33 o
7 9 -11 1887.47 1878.85 277.36 o
1 11 -11 64337.41 63353.71 1619.38 o
3 11 -11 6668.96 7278.96 377.98 o
5 11 -11 6649.60 6327.48 412.50 o
7 11 -11 2734.16 2914.89 389.50 o
1 13 -11 6524.81 6795.22 371.29 o
3 13 -11 1520.20 1669.12 219.29 o
5 13 -11 12107.26 12526.36 580.08 o
7 13 -11 905.57 1255.47 255.84 o
1 15 -11 4689.62 5281.34 344.25 o
3 15 -11 6613.11 6111.70 364.95 o
5 15 -11 13827.34 13334.94 606.89 o
1 17 -11 29754.25 28990.78 823.47 o
3 17 -11 191.98 131.58 168.96 o
5 17 -11 340.31 432.98 206.35 o
1 19 -11 2831.08 2604.95 268.06 o
3 19 -11 3794.06 4224.05 370.52 o
5 19 -11 1333.63 1362.72 261.03 o
1 21 -11 5804.71 5949.92 374.18 o
3 21 -11 12902.63 13470.12 631.37 o
1 23 -11 1509.32 1471.13 276.48 o
2 0 -10 24457.15 24056.49 935.83 o
6 0 -10 13315.63 12678.83 722.13 o
0 2 -10 21402.93 22283.96 898.86 o
2 2 -10 24351.67 23170.67 652.18 o
4 2 -10 3392.99 3265.04 247.25 o
6 2 -10 38547.27 37766.44 915.48 o
8 2 -10 2724.91 2734.57 377.37 o
2 4 -10 5673.72 6043.82 321.13 o
4 4 -10 6298.15 6395.89 335.09 o
6 4 -10 5188.44 5283.08 314.25 o
8 4 -10 10273.80 10834.31 652.84 o
0 6 -10 3469.18 3874.22 375.37 o
2 6 -10 21416.36 20971.74 620.34 o
4 6 -10 557.83 625.83 159.15 o
6 6 -10 6834.32 6515.95 405.20 o
8 6 -10 9117.23 8885.86 478.11 o
2 8 -10 36102.20 35464.03 942.80 o
4 8 -10 163.91 323.40 151.09 o
6 8 -10 197.86 88.16 165.37 o
8 8 -10 3708.57 4078.01 356.49 o
0 10 -10 6044.29 5801.83 737.65 o
2 10 -10 2859.20 2891.38 247.74 o
4 10 -10 38601.86 38832.00 934.66 o
6 10 -10 2298.78 2434.41 282.12 o
8 10 -10 4550.19 5005.96 492.55 o
2 12 -10 904.86 921.77 173.81 o
4 12 -10 4457.06 4443.87 322.31 o
6 12 -10 854.57 887.06 211.22 o
8 12 -10 5181.34 6173.76 544.23 o
0 14 -10 155486.66 149798.94 3862.92 o
2 14 -10 1568.98 1817.06 214.75 o
4 14 -10 20142.41 20100.05 719.62 o
6 14 -10 5899.35 6324.67 409.87 o
8 14 -10 31726.53 32496.79 1307.67 o
2 16 -10 441.00 588.96 167.31 o
4 16 -10 5375.42 5479.12 477.60 o
6 16 -10 2253.13 2287.81 280.59 o
8 16 -10 598.54 471.24 307.41 o
0 18 -10 25364.55 25327.97 1038.52 o
2 18 -10 2834.32 2787.36 259.02 o
4 18 -10 34594.12 34286.76 1034.20 o
6 18 -10 11607.21 11781.58 746.18 o
2 20 -10 5376.67 5202.38 337.55 o
4 20 -10 1494.81 1442.33 245.95 o
6 20 -10 3561.41 4075.19 490.93 o
0 22 -10 6357.26 5476.72 498.62 o
2 22 -10 4237.58 4282.50 360.74 o
4 22 -10 1729.62 1590.45 261.30 o
2 24 -10 2223.55 2881.70 324.62 o
4 24 -10 475.14 404.74 211.18 o
0 26 -10 418.84 612.67 328.72 o
2 26 -10 10748.28 11390.38 578.30 o
1 1 -9 22903.72 23269.03 621.25 o
3 1 -9 41376.92 39248.73 893.04 o
5 1 -9 20616.03 20651.08 593.66 o
7 1 -9 19055.14 20408.35 596.39 o
9 1 -9 9080.14 9435.31 599.79 o
1 3 -9 7030.39 8087.47 356.02 o
3 3 -9 5944.15 5760.53 303.91 o
5 3 -9 16809.62 16748.91 507.27 o
7 3 -9 1410.38 1839.75 237.41 o
9 3 -9 3273.71 3404.31 393.52 o
1 5 -9 3104.11 2999.98 239.19 o
3 5 -9 23898.36 23657.80 634.04 o
5 5 -9 11515.23 12095.30 432.21 o
7 5 -9 27737.78 27972.63 856.17 o
9 5 -9 4131.22 4428.28 656.01 o
1 7 -9 16509.09 16574.31 518.33 o
3 7 -9 18669.50 18468.11 633.31 o
5 7 -9 6207.22 5829.84 307.97 o
7 7 -9 2379.28 2886.98 287.54 o
9 7 -9 4260.18 5557.90 759.61 o
1 9 -9 4522.58 4677.08 316.31 o
3 9 -9 6883.06 7053.59 345.80 o
5 9 -9 1613.66 1575.49 187.03 o
7 9 -9 12483.46 13049.80 550.01 o
9 9 -9 4798.54 5236.53 486.98 o
1 11 -9 65343.95 64802.84 1320.87 o
3 11 -9 18561.16 17895.36 545.68 o
5 11 -9 10792.23 10535.08 538.85 o
7 11 -9 2253.50 2577.47 285.95 o
9 11 -9 28278.65 28877.54 1174.10 o
1 13 -9 13172.35 13189.53 469.89 o
3 13 -9 9535.06 9411.67 445.50 o
5 13 -9 18366.08 17926.78 655.65 o
7 13 -9 9780.16 10132.78 494.46 o
9 13 -9 504.10 657.00 294.92 o
1 15 -9 8700.63 9385.74 622.56 o
3 15 -9 20170.06 19237.14 720.17 o
5 15 -9 26735.33 26003.98 677.33 o
7 15 -9 6071.53 6480.75 407.83 o
9 15 -9 3467.01 3546.13 344.93 o
1 17 -9 65863.78 64056.69 1142.66 o
3 17 -9 7971.82 7623.39 310.31 o
5 17 -9 3850.86 3869.74 271.17 o
7 17 -9 9611.12 9655.90 487.75 o
9 17 -9 14945.49 14491.56 757.54 o
1 19 -9 3695.20 3658.57 201.87 o
3 19 -9 7398.04 7345.53 344.84 o
5 19 -9 511.00 633.49 157.62 o
7 19 -9 12021.52 11903.44 551.08 o
1 21 -9 7689.20 7784.82 284.70 o
3 21 -9 22222.69 21374.07 621.94 o
5 21 -9 3474.09 3111.96 290.95 o
7 21 -9 4294.59 4682.38 582.16 o
1 23 -9 395.04 320.79 115.35 o
3 23 -9 13987.97 14734.60 515.31 o
5 23 -9 3114.01 3565.12 343.12 o
7 23 -9 12869.65 13189.84 606.02 o
1 25 -9 10736.32 10373.19 345.92 o
3 25 -9 2902.26 3195.77 274.03 o
5 25 -9 4027.33 4462.47 503.32 o
1 27 -9 9038.97 9071.88 413.80 o
3 27 -9 6597.30 6822.08 373.45 o
1 29 -9 8622.55 8944.83 367.75 o
3 29 -9 8369.24 8417.82 498.16 o
0 0 -8 55726.91 55101.59 2260.21 o
4 0 -8 16283.59 15641.65 650.44 o
8 0 -8 1502.87 1314.40 399.62 o
2 2 -8 1552.73 1541.89 173.05 o
4 2 -8 13338.15 13097.58 429.47 o
6 2 -8 2566.37 2723.39 215.67 o
8 2 -8 4261.00 3851.50 389.14 o
10 2 -8 5067.52 5574.61 685.61 o
0 4 -8 61312.93 61543.44 1697.27 o
2 4 -8 31012.01 30679.23 729.91 o
4 4 -8 54219.98 52385.44 1072.77 o
6 4 -8 2864.15 3082.82 188.71 o
8 4 -8 13389.08 12754.03 429.50 o
10 4 -8 8764.95 8559.85 795.18 o
2 6 -8 9292.80 9028.91 353.02 o
4 6 -8 9258.23 8408.72 292.50 o
6 6 -8 20085.60 18120.92 1175.35 o
8 6 -8 12659.14 12907.11 440.60 o
10 6 -8 6363.54 7501.22 805.92 o
0 8 -8 48755.00 47763.45 2117.69 o
2 8 -8 36785.65 37073.40 701.01 o
4 8 -8 74631.94 72616.89 1208.55 o
6 8 -8 22882.14 24258.43 613.50 o
8 8 -8 42290.16 42852.11 930.81 o
10 8 -8 10507.67 11126.11 626.46 o
2 10 -8 7510.84 7316.43 272.41 o
4 10 -8 10242.95 10204.85 460.15 o
6 10 -8 6700.59 6367.70 303.57 o
8 10 -8 2235.48 2895.63 434.59 o
10 10 -8 2586.66 2940.38 411.56 o
0 12 -8 6587.74 7499.18 334.86 o
2 12 -8 11197.35 11434.26 812.61 o
4 12 -8 38316.38 33598.37 1959.14 o
6 12 -8 46676.23 45698.98 968.50 o
8 12 -8 8241.81 7883.66 426.27 o
10 12 -8 4151.07 3996.81 433.68 o
2 14 -8 3092.91 3127.32 175.82 o
4 14 -8 5130.15 4912.52 268.00 o
6 14 -8 1925.08 1914.82 201.70 o
8 14 -8 246.92 227.00 171.15 o
10 14 -8 27691.06 27114.10 1958.47 o
0 16 -8 3890.83 4195.81 281.18 o
2 16 -8 5795.02 6316.59 234.89 o
4 16 -8 8733.93 8661.17 353.51 o
6 16 -8 35337.48 35562.65 825.98 o
8 16 -8 439.44 266.28 188.25 o
10 16 -8 3901.44 4084.73 448.59 o
2 18 -8 12988.86 13185.53 348.23 o
4 18 -8 11457.66 11860.04 422.17 o
6 18 -8 4750.84 5039.25 359.61 o
8 18 -8 98.10 33.60 178.34 o
0 20 -8 6630.45 7258.64 549.82 o
2 20 -8 57425.22 54401.28 896.33 o
4 20 -8 9322.21 9956.18 394.85 o
6 20 -8 13630.63 13908.37 578.20 o
8 20 -8 14510.20 14484.56 1317.02 o
2 22 -8 5574.70 5774.42 250.77 o
4 22 -8 633.60 614.41 162.25 o
6 22 -8 7655.38 8133.41 454.08 o
8 22 -8 3138.87 3489.82 413.84 o
0 24 -8 14718.30 14433.37 556.99 o
2 24 -8 35528.86 36905.25 758.05 o
4 24 -8 14073.53 14325.35 504.80 o
6 24 -8 6937.25 6633.44 427.42 o
8 24 -8 2164.61 2299.32 369.93 o
2 26 -8 3408.88 3762.19 241.26 o
4 26 -8 5467.38 6443.26 424.84 o
6 26 -8 1401.99 1542.82 325.01 o
0 28 -8 11793.47 11922.06 532.08 o
2 28 -8 6999.46 7611.79 327.85 o
4 28 -8 5975.40 6075.34 427.41 o
6 28 -8 7484.98 7193.58 584.71 o
2 30 -8 901.19 967.87 167.80 o
4 30 -8 3732.13 3841.75 442.59 o
0 32 -8 5762.42 6342.89 686.80 o
2 32 -8 6207.02 7320.21 385.57 o
1 1 -7 9207.77 9711.15 253.04 o
3 1 -7 60543.80 57040.07 832.66 o
5 1 -7 32202.64 31437.56 533.84 o
7 1 -7 26565.48 23417.35 2550.12 o
9 1 -7 1483.51 1387.18 181.71 o
11 1 -7 18489.36 18146.96 777.04 o
1 3 -7 32846.43 32377.22 592.52 o
3 3 -7 31514.56 29529.19 564.62 o
5 3 -7 16094.17 15290.82 332.19 o
7 3 -7 13773.40 13247.90 417.77 o
9 3 -7 6985.20 6633.06 313.92 o
11 3 -7 6262.41 6039.83 447.40 o
1 5 -7 59298.48 58824.33 842.06 o
3 5 -7 33421.41 32054.64 653.75 o
5 5 -7 70880.46 54537.72 10193.80 o
7 5 -7 17682.42 18224.88 432.27 o
9 5 -7 28440.11 28032.22 757.35 o
11 5 -7 855.61 761.92 217.80 o
1 7 -7 37839.72 38218.42 592.88 o
3 7 -7 30757.89 30163.72 590.34 o
5 7 -7 8419.30 8327.81 285.39 o
7 7 -7 22648.67 21701.65 562.13 o
9 7 -7 31920.98 32226.97 1298.28 o
11 7 -7 2640.88 3193.81 818.10 o
1 9 -7 12933.01 13301.57 295.47 o
3 9 -7 79866.91 79180.04 2091.09 o
5 9 -7 13432.50 13828.50 375.03 o
7 9 -7 3450.91 3838.03 244.28 o
9 9 -7 3933.66 4406.76 330.36 o
11 9 -7 6854.86 6923.24 534.58 o
1 11 -7 53477.34 51482.12 1207.73 o
3 11 -7 12116.67 11805.47 355.91 o
5 11 -7 7776.42 7971.53 322.46 o
7 11 -7 7160.59 7487.71 327.06 o
9 11 -7 12662.46 12477.15 691.34 o
11 11 -7 5769.76 6268.84 511.81 o
1 13 -7 16628.48 17299.21 367.08 o
3 13 -7 6839.16 7064.62 268.33 o
5 13 -7 1834.93 2359.20 201.65 o
7 13 -7 11604.25 10934.36 497.51 o
9 13 -7 14038.39 13840.47 684.40 o
11 13 -7 1356.05 985.06 298.53 o
1 15 -7 13512.03 14135.41 339.06 o
3 15 -7 10560.24 10173.40 522.77 o
5 15 -7 5372.46 5499.47 364.76 o
7 15 -7 463.00 468.80 183.44 o
9 15 -7 18647.90 17241.62 775.97 o
11 15 -7 110.57 468.80 266.45 o
1 17 -7 25809.28 26386.35 509.44 o
3 17 -7 16296.79 15516.77 465.72 o
5 17 -7 331.02 323.89 133.96 o
7 17 -7 43.86 -48.08 152.26 o
9 17 -7 9622.27 10809.87 617.27 o
1 19 -7 3830.77 3887.44 197.81 o
3 19 -7 48028.28 48545.77 1710.65 o
5 19 -7 20851.49 20808.71 648.06 o
7 19 -7 2538.73 2193.78 279.10 o
9 19 -7 11741.90 10670.54 632.62 o
1 21 -7 35919.59 34535.68 631.89 o
3 21 -7 4060.88 4611.59 274.42 o
5 21 -7 3612.98 3667.19 315.56 o
7 21 -7 15530.37 14706.44 717.74 o
9 21 -7 10778.51 10120.03 633.54 o
1 23 -7 14183.34 14383.51 377.12 o
3 23 -7 32045.62 33147.23 688.12 o
5 23 -7 10662.48 11014.12 721.57 o
7 23 -7 13264.58 12044.50 868.47 o
9 23 -7 8062.16 8403.48 971.12 o
1 25 -7 7641.31 7899.82 288.46 o
3 25 -7 10757.72 11825.41 380.21 o
5 25 -7 14990.56 15791.15 755.74 o
7 25 -7 3421.60 3441.59 405.78 o
1 27 -7 4142.67 4509.83 235.49 o
3 27 -7 15587.92 15495.11 455.24 o
5 27 -7 9583.85 9260.38 732.87 o
7 27 -7 2733.31 2663.22 389.33 o
1 29 -7 2890.39 2541.85 212.25 o
3 29 -7 2604.33 2796.04 291.81 o
5 29 -7 2901.54 2886.33 399.90 o
1 31 -7 8678.10 9008.72 397.19 o
3 31 -7 6258.39 5766.33 508.88 o
5 31 -7 1055.94 1707.68 341.10 o
1 33 -7 7571.87 7874.49 511.35 o
3 33 -7 615.82 543.13 263.37 o
2 0 -6 53631.44 52599.37 1044.35 o
6 0 -6 42016.38 41111.20 915.07 o
10 0 -6 13521.12 14147.56 864.17 o
0 2 -6 78008.10 81697.41 1530.43 o
2 2 -6 122194.00 119644.05 1539.35 o
4 2 -6 11466.00 11250.27 260.97 o
6 2 -6 177629.63 172710.28 2514.93 o
8 2 -6 7810.44 7743.78 278.05 o
10 2 -6 22871.70 23059.20 681.59 o
12 2 -6 3469.92 3540.98 383.67 o
2 4 -6 5423.33 5372.37 160.19 o
4 4 -6 3208.61 3273.92 168.35 o
6 4 -6 9052.07 9035.85 284.02 o
8 4 -6 12781.05 13111.56 360.18 o
10 4 -6 18279.10 18325.22 595.08 o
12 4 -6 3352.66 3092.03 361.58 o
0 6 -6 24797.04 22466.28 540.98 o
2 6 -6 108548.27 110654.02 1424.58 o
4 6 -6 86788.67 87874.88 1281.96 o
6 6 -6 901.52 1312.01 118.87 o
8 6 -6 12718.00 12571.61 378.84 o
10 6 -6 10819.58 10645.96 508.08 o
12 6 -6 5630.96 5500.87 448.13 o
2 8 -6 781.51 702.39 85.34 o
4 8 -6 3004.56 2986.64 145.91 o
6 8 -6 24836.15 26088.58 522.02 o
8 8 -6 6965.84 6528.10 297.37 o
10 8 -6 4627.17 5007.91 348.86 o
12 8 -6 996.37 733.49 318.69 o
0 10 -6 27617.11 25192.19 2069.29 o
2 10 -6 58820.55 57448.16 822.99 o
4 10 -6 16651.42 16295.28 337.87 o
6 10 -6 25398.18 23703.72 495.80 o
8 10 -6 58709.13 58976.13 1888.18 o
10 10 -6 6373.00 6285.82 369.73 o
12 10 -6 2957.43 2352.72 336.22 o
2 12 -6 31880.68 30417.31 517.50 o
4 12 -6 16668.32 16166.15 337.89 o
6 12 -6 11483.67 12271.33 338.85 o
8 12 -6 4424.45 4525.82 297.57 o
10 12 -6 5146.95 5045.29 346.26 o
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