#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/43/2214377.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_2214377_Fobs
loop_
_publ_author_name
'Kalachnikova, Katrina'
'Assefa, Zerihun'
'Sykora, Richard E.'
_publ_section_title
;
Poly[triaquahexa-\m-cyanido-terbium(III)trisilver(I)]: a
4f--4d bimetallic coordination polymer
;
_journal_coeditor_code PK2030
_journal_issue 7
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first i162
_journal_volume 63
_journal_year 2007
_space_group_IT_number 193
_symmetry_space_group_name_Hall '-P 6c 2'
_symmetry_space_group_name_H-M 'P 63/m c m'
_cell_angle_alpha 90.000
_cell_angle_beta 90.000
_cell_angle_gamma 120.000
_cell_length_a 6.6692
_cell_length_b 6.6692
_cell_length_c 18.3707
_exptl_crystal_F_000 628.00
_reflns_d_resolution_high 0.8302
_[local]_cod_data_source_file pk2030Isup2.hkl
_[local]_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' face in P6(3)/mcm'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 345.27
_shelx_f_squared_multiplier 1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'-y, -x, -z'
'-x+y, y, -z'
'x, x-y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'y, x, z'
'x-y, -y, z'
'-x, -x+y, 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
0 1 0 2385.25 2659.49 100.45 o
-1 2 0 988.33 1249.78 54.87 o
0 2 0 98834.43 105122.30 5935.50 o
-1 3 0 747.04 718.80 33.26 o
0 3 0 10465.74 11133.97 497.70 o
-2 4 0 38574.71 38765.82 447.23 o
-1 4 0 1617.78 1544.49 62.19 o
0 4 0 43922.14 44049.56 366.84 o
-2 5 0 1283.62 1293.44 92.33 o
-1 5 0 862.31 939.65 75.81 o
0 5 0 1946.68 1836.25 82.92 o
-3 6 0 2170.39 2120.77 128.50 o
-2 6 0 16217.92 16059.62 247.33 o
-1 6 0 832.78 850.22 38.80 o
0 6 0 13160.28 12827.68 243.69 o
-3 7 0 1023.39 986.17 44.41 o
-2 7 0 498.05 466.84 27.05 o
-1 7 0 609.82 636.83 31.58 o
-4 8 0 7195.12 7760.43 287.79 o
-1 2 1 529.45 688.07 51.47 o
-1 3 1 931.93 965.76 30.16 o
-2 4 1 12.56 21.24 28.35 o
-1 4 1 70.51 64.91 8.57 o
-2 5 1 188.65 185.06 11.85 o
-1 5 1 17.59 26.90 14.58 o
-3 6 1 48.36 -31.47 46.55 o
-2 6 1 19.37 31.29 14.26 o
-1 6 1 70.79 64.00 16.71 o
-3 7 1 1.51 37.04 24.47 o
-2 7 1 4.98 47.98 15.00 o
-1 7 1 18.32 2.34 32.32 o
-4 8 1 5.09 40.21 21.37 o
0 0 2 7211.92 7369.79 238.77 o
0 1 2 41288.46 46247.48 1715.40 o
-1 2 2 27527.66 29381.33 1487.69 o
0 2 2 9709.75 9975.99 179.37 o
-1 3 2 23271.68 23703.96 774.87 o
0 3 2 24894.19 25394.73 649.81 o
-2 4 2 3871.12 3968.65 95.72 o
-1 4 2 15639.12 16070.73 206.88 o
0 4 2 1560.02 1504.98 46.43 o
-2 5 2 11225.43 11255.76 130.51 o
-1 5 2 10130.86 9954.54 125.84 o
0 5 2 8600.48 8625.62 206.57 o
-3 6 2 7013.77 6976.26 161.04 o
-2 6 2 328.15 316.34 14.41 o
-1 6 2 5843.93 5944.12 112.65 o
0 6 2 92.44 120.84 13.11 o
-3 7 2 4500.27 4507.27 101.72 o
-2 7 2 4012.59 4077.70 100.30 o
-1 7 2 3344.17 3302.52 94.39 o
-4 8 2 56.75 109.89 48.19 o
-1 2 3 5600.84 5902.69 83.71 o
-1 3 3 0.27 11.84 10.56 o
-2 4 3 992.96 1030.12 63.87 o
-1 4 3 0.06 15.72 15.13 o
-2 5 3 9.92 13.22 12.63 o
-1 5 3 538.73 525.51 16.70 o
-3 6 3 84.89 85.00 21.91 o
-2 6 3 32.93 21.18 45.84 o
-1 6 3 55.32 41.83 17.73 o
-3 7 3 26.07 35.38 14.65 o
-2 7 3 27.92 11.35 21.80 o
-1 7 3 64.01 42.00 27.49 o
0 0 4 98156.22 95764.60 2325.28 o
0 1 4 313.32 337.07 23.94 o
-1 2 4 2742.32 2877.56 284.96 o
0 2 4 100850.92 107828.08 6712.87 o
-1 3 4 2260.84 2297.20 91.44 o
0 3 4 538.76 542.55 44.76 o
-2 4 4 49802.92 49566.19 1231.36 o
-1 4 4 665.61 733.86 37.89 o
0 4 4 27153.51 27343.71 1109.37 o
-2 5 4 1912.53 2001.66 84.90 o
-1 5 4 1224.10 1144.26 46.89 o
0 5 4 1194.48 1240.63 43.01 o
-3 6 4 948.58 865.72 103.06 o
-2 6 4 17644.59 17068.96 774.95 o
-1 6 4 1400.79 1352.48 48.40 o
0 6 4 10473.98 10372.47 247.83 o
-3 7 4 669.62 667.83 23.63 o
-2 7 4 1175.28 1160.26 88.63 o
-1 7 4 922.38 949.32 36.94 o
-1 2 5 4183.21 4257.15 493.09 o
-1 3 5 104.51 124.86 9.28 o
-2 4 5 153.72 147.04 12.78 o
-1 4 5 120.58 119.83 16.98 o
-2 5 5 206.43 191.01 25.16 o
-1 5 5 4.29 21.84 10.58 o
-3 6 5 0.27 14.98 41.51 o
-2 6 5 1.67 17.06 15.46 o
-1 6 5 186.29 189.33 13.42 o
-3 7 5 1.67 21.16 22.50 o
-2 7 5 21.76 20.70 21.51 o
-1 7 5 2.30 9.86 25.48 o
0 0 6 7270.07 7227.28 143.43 o
0 1 6 25352.18 24970.45 1567.83 o
-1 2 6 22169.22 21529.67 2022.33 o
0 2 6 4228.10 3716.66 118.42 o
-1 3 6 22811.34 23149.62 1060.81 o
0 3 6 24375.61 23677.86 1266.19 o
-2 4 6 3225.24 3038.50 284.44 o
-1 4 6 10657.64 10626.32 327.86 o
0 4 6 3697.92 3613.70 148.40 o
-2 5 6 11848.21 11924.11 447.65 o
-1 5 6 6683.08 6708.48 280.02 o
0 5 6 7796.13 7700.25 448.82 o
-3 6 6 9421.19 9124.67 535.78 o
-2 6 6 116.43 98.48 14.07 o
-1 6 6 6385.45 6234.24 219.38 o
0 6 6 85.04 76.85 12.69 o
-3 7 6 3056.35 2907.68 157.54 o
-2 7 6 3325.42 3265.86 104.23 o
-1 7 6 3090.07 3062.10 95.35 o
-1 2 7 23.49 29.91 7.25 o
-1 3 7 131.28 147.49 17.74 o
-2 4 7 20.02 41.33 10.19 o
-1 4 7 152.09 155.80 15.59 o
-2 5 7 5.43 8.46 19.34 o
-1 5 7 15.78 36.97 14.41 o
-3 6 7 208.08 218.69 19.18 o
-2 6 7 0.01 25.09 15.17 o
-1 6 7 57.07 35.67 25.75 o
-3 7 7 36.97 20.53 25.29 o
-2 7 7 101.76 60.93 25.58 o
-1 7 7 62.14 42.65 19.54 o
0 0 8 119214.50 119810.00 2770.68 o
0 1 8 1413.15 1306.45 79.00 o
-1 2 8 422.74 365.70 17.09 o
0 2 8 63477.94 66236.68 2369.67 o
-1 3 8 1241.68 1192.44 79.57 o
0 3 8 2995.55 2998.23 62.46 o
-2 4 8 31990.25 33475.89 2893.87 o
-1 4 8 1200.33 1235.05 45.95 o
0 4 8 27552.46 28152.99 1515.16 o
-2 5 8 1271.47 1310.87 104.60 o
-1 5 8 1026.44 1018.44 45.16 o
0 5 8 1331.16 1379.05 46.95 o
-3 6 8 1320.81 1270.61 120.10 o
-2 6 8 13467.79 13576.76 523.72 o
-1 6 8 974.67 1063.40 38.84 o
0 6 8 9602.57 9203.26 472.44 o
-3 7 8 754.29 701.09 30.03 o
-2 7 8 646.59 635.29 25.75 o
-1 2 9 602.94 610.05 58.85 o
-1 3 9 812.31 805.04 59.09 o
-2 4 9 256.56 256.48 16.22 o
-1 4 9 351.48 375.41 21.92 o
-2 5 9 51.03 68.25 29.07 o
-1 5 9 2.93 20.98 17.23 o
-3 6 9 281.72 331.09 52.82 o
-2 6 9 30.48 19.75 20.55 o
-1 6 9 0.84 -3.52 25.26 o
-3 7 9 33.86 -25.77 43.05 o
-2 7 9 181.36 135.19 31.45 o
0 0 10 2253.49 2050.29 71.35 o
0 1 10 23566.66 23274.74 510.21 o
-1 2 10 16027.98 15365.24 1125.89 o
0 2 10 4721.62 4399.54 175.79 o
-1 3 10 12715.66 12251.92 443.04 o
0 3 10 13413.26 13329.60 803.49 o
-2 4 10 1470.69 1306.53 91.77 o
-1 4 10 11337.43 11033.54 511.34 o
0 4 10 138.74 151.90 11.33 o
-2 5 10 6794.74 6531.70 184.45 o
-1 5 10 8039.40 7994.57 311.61 o
0 5 10 6051.72 6158.48 210.96 o
-3 6 10 3766.58 3447.16 325.44 o
-2 6 10 187.17 178.72 15.57 o
-1 6 10 3705.40 3815.03 163.46 o
0 6 10 177.94 190.33 20.35 o
-3 7 10 3955.43 4108.70 234.18 o
-1 2 11 47.49 50.54 27.81 o
-1 3 11 35.27 42.63 10.32 o
-2 4 11 84.79 72.28 18.62 o
-1 4 11 143.54 142.43 11.60 o
-2 5 11 317.32 306.90 15.25 o
-1 5 11 387.13 363.27 17.36 o
-3 6 11 138.20 168.35 18.62 o
-2 6 11 27.65 4.15 28.31 o
-1 6 11 524.58 520.83 21.34 o
0 0 12 70676.67 68003.95 507.67 o
0 1 12 1290.44 1234.45 40.77 o
-1 2 12 443.84 480.93 22.73 o
0 2 12 39576.27 39021.28 1131.12 o
-1 3 12 1154.87 1127.66 49.56 o
0 3 12 2856.95 2846.05 109.03 o
-2 4 12 21263.23 20573.14 957.98 o
-1 4 12 1121.88 1135.04 40.99 o
0 4 12 19376.46 19298.10 528.59 o
-2 5 12 1038.41 1005.20 34.71 o
-1 5 12 765.65 769.39 37.67 o
0 5 12 1008.93 981.01 82.97 o
-3 6 12 1446.43 1522.04 75.67 o
-2 6 12 10187.20 10700.15 167.21 o
-1 6 12 859.66 842.13 40.41 o
-1 2 13 140.09 133.03 15.49 o
-1 3 13 61.09 52.75 16.62 o
-2 4 13 32.41 44.68 40.70 o
-1 4 13 276.79 296.63 18.26 o
-2 5 13 72.32 114.44 45.28 o
-1 5 13 326.27 320.35 16.81 o
-3 6 13 163.10 193.22 29.79 o
-2 6 13 0.09 41.51 30.58 o
-1 6 13 229.67 154.78 21.70 o
0 0 14 1635.75 1700.97 80.67 o
0 1 14 11221.95 11125.30 220.12 o
-1 2 14 10393.92 10198.85 577.36 o
0 2 14 839.42 867.37 31.96 o
-1 3 14 10411.12 10282.20 222.10 o
0 3 14 10764.19 10677.53 371.72 o
-2 4 14 690.26 679.90 46.89 o
-1 4 14 5744.44 5713.07 134.07 o
0 4 14 987.92 937.02 32.74 o
-2 5 14 6518.03 6415.87 221.37 o
-1 5 14 4043.25 4021.27 149.02 o
0 5 14 4671.33 4794.28 158.33 o
-3 6 14 4939.93 5167.83 235.20 o
-2 6 14 19.58 45.53 23.86 o
-1 2 15 187.71 206.91 18.54 o
-1 3 15 303.71 304.40 15.38 o
-2 4 15 92.01 78.99 17.38 o
-1 4 15 264.85 265.05 14.92 o
-2 5 15 1.37 -1.34 19.86 o
-1 5 15 350.92 368.40 18.60 o
0 0 16 23311.52 21997.49 305.60 o
0 1 16 813.27 794.59 50.03 o
-1 2 16 1626.09 1634.41 84.11 o
0 2 16 24863.24 25386.55 248.52 o
-1 3 16 1270.81 1248.28 43.64 o
0 3 16 444.13 458.72 26.85 o
-2 4 16 16605.84 16818.15 759.45 o
-1 4 16 738.57 761.42 62.43 o
0 4 16 10436.24 10674.66 169.74 o
-2 5 16 989.56 1008.18 37.65 o
-1 5 16 894.40 873.51 31.99 o
-1 2 17 965.95 991.23 51.21 o
-1 3 17 111.17 122.30 33.38 o
-2 4 17 142.65 160.95 19.98 o
-1 4 17 319.29 329.58 17.98 o
-2 5 17 43.84 59.10 17.39 o
0 0 18 129.45 161.53 32.35 o
0 1 18 7753.80 7529.31 134.86 o
-1 2 18 6053.92 6048.72 456.85 o
0 2 18 394.82 402.90 17.78 o
-1 3 18 5811.17 6153.29 144.54 o
0 3 18 6648.20 6800.93 137.93 o
-2 4 18 237.35 240.58 24.06 o
-1 4 18 4385.99 4422.78 184.16 o
0 4 18 66.23 94.42 19.60 o
-1 2 19 346.86 379.68 34.84 o
-1 3 19 6.01 5.16 25.54 o
-2 4 19 11.60 -41.00 41.00 o
0 0 20 24212.81 22665.27 900.23 o
0 1 20 1067.73 1018.17 34.92 o
-1 2 20 355.25 368.82 25.64 o
0 2 20 12736.05 13212.98 196.02 o
-1 3 20 698.63 746.76 25.30 o
-1 2 21 48.63 12.46 72.00 o
0 0 22 48.73 120.46 59.60 o