#------------------------------------------------------------------------------
#$Date: 2016-04-03 00:24:28 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181017 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/97/2209751.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_2209751_Fobs
loop_
_publ_author_name
'Xu, Yan'
'Ding, Shao-Hua'
'Zhou, Guang-Peng'
'Liu, Yu-Guo'
_publ_section_title
;
 Samarium(III) formate
;
_journal_coeditor_code           BI2026
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1749
_journal_page_last               m1750
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   10.5034
_cell_length_b                   10.5034
_cell_length_c                   4.0060
_exptl_crystal_F_000             393.00
_reflns_d_resolution_high        0.7339
_cod_data_source_file            bi2026Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' dsh11 in R3m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            191.36
_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'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
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 -5 4082.96 4676.54 362.68 o
0 2 -5 3347.39 3505.75 318.22 o
-2 3 -5 4179.05 4019.95 240.61 o
-4 4 -5 3347.39 2977.98 519.26 o
-1 4 -5 4513.82 4518.16 560.24 o
-3 5 -5 4618.19 3663.23 390.66 o
0 1 -4 11141.41 11856.59 465.60 o
-2 2 -4 4150.46 4726.65 320.74 o
-1 3 -4 6436.48 6904.53 252.29 o
-3 4 -4 5786.86 5616.96 235.08 o
0 4 -4 3300.71 3007.06 266.76 o
-5 5 -4 4907.21 4266.92 310.28 o
-2 5 -4 7541.42 7092.19 426.19 o
-4 6 -4 4405.41 4184.77 217.62 o
-1 6 -4 4408.50 3871.49 235.30 o
-6 7 -4 4246.17 3432.97 325.41 o
-3 7 -4 6095.53 6207.74 398.73 o
0 7 -4 4741.98 5051.44 389.23 o
-8 8 -4 3224.87 3376.57 651.30 o
-5 8 -4 4305.88 4084.42 308.19 o
-2 8 -4 3216.59 3113.41 208.25 o
-7 9 -4 3475.01 3266.37 482.53 o
-4 9 -4 4915.69 4679.29 468.64 o
0 0 -3 9608.68 9967.67 648.43 o
-1 2 -3 9379.39 9756.55 235.23 o
-3 3 -3 11397.30 11445.60 321.64 o
0 3 -3 11585.57 12191.74 409.49 o
-2 4 -3 11273.01 11332.65 258.84 o
-4 5 -3 9650.36 9909.75 212.69 o
-1 5 -3 9907.46 9851.95 268.04 o
-6 6 -3 6532.57 6374.40 260.82 o
-3 6 -3 8343.74 8119.36 238.47 o
0 6 -3 6585.79 6979.25 380.40 o
-5 7 -3 5786.19 6022.62 302.51 o
-2 7 -3 5225.40 5164.39 240.47 o
-7 8 -3 6756.33 6269.37 220.69 o
-4 8 -3 3070.76 3010.32 199.81 o
-1 8 -3 7502.60 8133.39 324.85 o
-9 9 -3 5050.65 5107.86 331.33 o
-6 9 -3 4102.83 4032.99 268.89 o
-3 9 -3 4892.52 5139.69 304.10 o
0 9 -3 4101.08 4814.53 432.95 o
-8 10 -3 3538.42 3943.45 291.43 o
-5 10 -3 5155.72 5784.91 384.82 o
-2 10 -3 3436.62 3846.96 313.43 o
-7 11 -3 4676.70 4943.69 328.25 o
-4 11 -3 3646.21 3856.28 359.65 o
-1 1 -2 32294.50 37458.31 446.78 o
0 2 -2 16034.68 17923.83 275.04 o
-2 3 -2 10444.21 11129.46 196.93 o
-4 4 -2 9070.04 8989.71 238.57 o
-1 4 -2 12586.03 12797.16 216.02 o
-3 5 -2 18878.01 18804.23 329.19 o
0 5 -2 6468.46 6521.59 215.15 o
-5 6 -2 7883.71 7594.97 169.65 o
-2 6 -2 13320.27 13277.41 237.73 o
-7 7 -2 10441.11 9604.31 404.58 o
-4 7 -2 10066.43 9710.78 225.93 o
-1 7 -2 9154.37 9362.06 260.10 o
-6 8 -2 7821.05 7752.39 244.21 o
-3 8 -2 9594.71 9445.46 261.45 o
0 8 -2 7172.97 7719.10 428.06 o
-8 9 -2 4748.76 4482.77 256.15 o
-5 9 -2 10632.72 11175.54 507.17 o
-2 9 -2 4140.86 4339.85 218.32 o
-10 10 -2 4130.39 3924.04 435.59 o
-7 10 -2 4406.64 4423.82 246.39 o
-4 10 -2 6761.59 7205.15 377.04 o
-1 10 -2 4419.13 4797.04 319.21 o
-9 11 -2 4661.67 4584.29 289.27 o
-6 11 -2 4004.84 4172.15 282.46 o
-3 11 -2 4058.11 4534.29 283.98 o
0 11 -2 3358.94 3413.80 496.91 o
-11 12 -2 3684.08 3987.38 829.39 o
-8 12 -2 2711.84 2619.05 263.25 o
-5 12 -2 3146.44 3542.62 292.98 o
-2 12 -2 4304.15 4492.32 573.22 o
-4 13 -2 2153.71 2312.48 570.33 o
0 1 -1 17048.25 19481.72 299.98 o
-2 2 -1 29972.93 30399.47 521.94 o
-1 3 -1 22126.07 22870.29 283.98 o
-3 4 -1 24595.17 23892.73 347.76 o
0 4 -1 24987.69 25180.36 388.14 o
-5 5 -1 15145.78 14575.30 313.07 o
-2 5 -1 22491.42 22386.92 274.17 o
-4 6 -1 16801.84 15843.17 220.31 o
-1 6 -1 11728.98 11866.24 236.71 o
-6 7 -1 10461.24 9908.55 265.16 o
-3 7 -1 7087.83 7009.33 212.08 o
0 7 -1 13361.30 13623.00 410.58 o
-8 8 -1 13372.70 12884.89 532.44 o
-5 8 -1 5526.97 5490.73 198.90 o
-2 8 -1 9584.26 9344.68 240.51 o
-7 9 -1 8255.83 7771.32 337.87 o
-4 9 -1 5645.84 5794.25 235.62 o
-1 9 -1 8792.92 9096.03 265.11 o
-9 10 -1 4664.03 4523.91 312.88 o
-6 10 -1 8524.07 8391.00 335.70 o
-3 10 -1 6404.26 6476.07 244.72 o
0 10 -1 4257.69 4630.59 325.90 o
-11 11 -1 2758.77 2780.90 509.97 o
-8 11 -1 4921.43 4903.10 306.55 o
-5 11 -1 7141.35 6768.97 319.55 o
-2 11 -1 3834.76 4249.86 233.42 o
-10 12 -1 4493.51 4697.32 282.94 o
-7 12 -1 4972.55 5579.68 311.12 o
-4 12 -1 5226.05 5493.81 317.72 o
-1 12 -1 2887.84 3176.81 234.87 o
-9 13 -1 4236.98 4254.82 297.48 o
-6 13 -1 2650.76 2610.32 258.28 o
-3 13 -1 4287.58 4442.84 359.83 o
-1 2 0 26072.72 27199.22 294.64 o
-3 3 0 9631.17 9435.15 261.32 o
0 3 0 10018.57 9828.17 229.69 o
-2 4 0 36617.74 36744.76 388.86 o
-4 5 0 13088.85 13198.73 256.50 o
-1 5 0 14444.64 13838.23 227.87 o
-6 6 0 13589.88 13092.33 408.22 o
-3 6 0 23517.27 22198.93 301.98 o
0 6 0 13877.17 13565.37 405.64 o
-5 7 0 11003.67 10943.10 259.84 o
-2 7 0 10662.12 10350.28 343.45 o
-7 8 0 10122.65 9972.29 327.02 o
-4 8 0 17665.46 17589.51 362.58 o
-1 8 0 9494.25 9009.45 233.66 o
-9 9 0 5285.12 5399.46 534.86 o
-6 9 0 8350.48 7447.18 312.56 o
-3 9 0 8166.89 7906.35 237.49 o
0 9 0 5112.61 4827.04 294.18 o
-8 10 0 5538.73 5345.80 433.98 o
-5 10 0 10493.58 10797.36 337.21 o
-2 10 0 5845.59 5980.52 236.40 o
-10 11 0 5374.58 5544.81 708.15 o
-7 11 0 4155.77 3819.31 274.02 o
-4 11 0 4734.41 5024.49 291.77 o
-1 11 0 5150.37 5854.99 417.41 o
-12 12 0 4228.44 4731.15 662.99 o
-9 12 0 4452.43 4709.25 376.91 o
-6 12 0 4414.63 4303.14 272.89 o
-3 12 0 4588.69 4819.64 468.88 o
0 12 0 4317.89 4576.07 527.53 o
-11 13 0 3354.89 3705.62 459.60 o
-8 13 0 2948.09 3520.81 268.63 o
-5 13 0 2826.06 3307.05 385.76 o
-2 13 0 3504.02 4540.31 566.19 o
-1 1 1 17691.10 19399.28 513.35 o
0 2 1 27039.06 30171.58 905.99 o
-2 3 1 24074.96 23336.99 469.57 o
-4 4 1 25468.06 25670.13 811.48 o
-1 4 1 23308.68 23195.66 380.24 o
-3 5 1 22686.98 21711.88 543.47 o
0 5 1 15925.96 14196.15 434.82 o
-5 6 1 11837.62 11338.30 416.94 o
-2 6 1 16019.12 15824.35 320.16 o
-7 7 1 12685.05 12782.13 715.01 o
-4 7 1 7832.81 7166.88 295.13 o
-1 7 1 10548.30 10183.34 318.70 o
-6 8 1 9525.38 9414.27 374.36 o
-3 8 1 5076.88 4591.94 247.79 o
0 8 1 13680.34 12034.03 813.92 o
-8 9 1 8524.75 9046.44 466.06 o
-5 9 1 5680.32 5411.55 267.18 o
-2 9 1 8880.60 9147.57 373.90 o
-10 10 1 4382.48 4938.15 587.56 o
-7 10 1 6332.65 6024.80 954.33 o
-4 10 1 8283.32 7778.35 1232.61 o
-1 10 1 4618.58 4952.23 611.47 o
-9 11 1 3851.97 4231.72 583.43 o
-6 11 1 7482.20 7313.96 532.82 o
-3 11 1 4726.81 4288.74 612.00 o
0 11 1 2891.09 3650.26 677.00 o
-11 12 1 2879.90 3453.65 592.72 o
-8 12 1 5580.54 5342.40 680.66 o
-5 12 1 4548.11 4260.09 624.63 o
-2 12 1 4327.01 4111.57 905.97 o
-10 13 1 4373.75 5472.48 737.79 o
-7 13 1 2771.39 2641.57 568.48 o
-4 13 1 4211.76 4127.53 694.11 o
-1 3 2 10547.24 11063.82 508.75 o
-3 4 2 12224.85 13078.41 529.80 o
-2 5 2 19225.72 19212.03 774.62 o
-4 6 2 12800.76 11993.42 604.13 o
-1 6 2 8406.11 8178.85 567.81 o
-6 7 2 9572.17 9277.84 548.88 o
-3 7 2 9974.39 8621.46 575.44 o
0 7 2 10084.46 9882.21 729.52 o
-5 8 2 10047.84 9948.70 629.86 o
-2 8 2 7163.99 6345.70 547.19 o
-4 9 2 10655.89 9731.00 695.29 o
-1 9 2 4634.76 4306.60 578.36 o
-6 10 2 6339.72 5032.94 569.54 o
-3 10 2 4823.02 4946.85 555.22 o
0 10 2 3773.58 3690.90 630.45 o
-5 11 2 4161.83 3531.08 552.43 o
-2 11 2 4885.54 4748.42 649.53 o
-7 12 2 3084.36 2933.68 545.50 o
-4 12 2 2784.21 3242.98 556.64 o
-6 13 2 3297.09 2474.94 556.12 o
-2 7 3 5527.58 4965.26 524.21 o
-3 9 3 4225.32 4493.61 558.09 o
-2 10 3 3633.85 3701.61 601.65 o