#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2015033.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_2015033_Fobs
loop_
_publ_author_name
'Fleck, Michel'
'Bohat\'y, Ladislav'
_publ_section_title
;
 Two novel glycine metal halogenides:
 <i>catena</i>-poly[[[diaquanickel(II)]-di-\m-glycine] dibromide] and
 <i>catena</i>-poly[[[tetraaquamagnesium(II)]-\m-glycine] dichloride]
;
_journal_coeditor_code           JZ1726
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m412
_journal_page_last               m416
_journal_volume                  61
_journal_year                    2005
_chemical_formula_moiety         '(C2 H5 N O2), Mg, Cl2, 4(H2 O)'
_chemical_formula_sum            'C2 H13 Cl2 Mg N O6'
_chemical_formula_weight         242.34
_chemical_melting_point          'not determined'
_chemical_name_common            'Glycine magnesium dichloride tetrahydrate'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.587(2)
_cell_length_b                   12.899(3)
_cell_length_c                   7.714(2)
_cell_volume                     1053.4(4)
_[local]_cod_data_source_file    jz1726IIsup3.hkl
_[local]_cod_data_source_block   II
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_sigma
0 0 3 1.90 0.30
0 0 5 4.20 0.40
0 0 7 -0.40 0.40
0 0 9 -0.20 0.40
0 0 11 15.20 1.50
0 0 12 307.90 5.50
0 0 13 1.30 0.80
0 0 14 2239.70 58.90
0 0 15 1.90 1.40
0 0 16 173.30 5.80
0 0 17 0.00 1.70
0 0 18 299.90 15.50
0 0 19 1.00 2.50
0 0 20 205.40 12.80
0 1 3 0.80 0.10
0 1 4 1.40 0.20
0 1 5 1.40 0.20
0 1 6 0.40 0.20
0 1 7 1.10 0.30
0 1 8 -0.90 0.30
0 1 9 3.50 0.40
0 1 10 0.40 0.50
0 1 11 1.30 0.20
0 1 12 1.00 0.50
0 1 13 1.00 0.90
0 1 14 -1.00 1.20
0 1 15 0.90 1.10
0 1 16 -2.30 1.20
0 1 17 0.50 1.50
0 1 18 -0.70 1.50
0 1 19 -1.90 2.00
0 1 20 0.40 2.30
0 2 1 1221.00 10.40
0 2 2 1043.60 7.90
0 2 4 4002.20 42.60
0 2 5 1661.50 12.90
0 2 6 182.70 1.80
0 2 7 5471.50 65.90
0 2 8 1141.60 11.00
0 2 9 2363.60 27.90
0 2 10 3.90 0.50
0 2 11 328.70 4.20
0 2 12 63.30 1.30
0 2 13 333.90 5.80
0 2 14 199.10 4.80
0 2 15 475.10 8.40
0 2 16 24.60 1.70
0 2 17 383.30 8.70
0 2 18 28.80 2.40
0 2 19 131.30 5.00
0 2 20 3.40 2.20
0 3 0 2.50 0.30
0 3 1 2.00 0.20
0 3 2 1.80 0.20
0 3 3 0.90 0.20
0 3 4 0.70 0.20
0 3 5 0.50 0.20
0 3 6 0.30 0.20
0 3 7 0.50 0.30
0 3 8 0.10 0.30
0 3 9 0.30 0.40
0 3 10 0.00 0.40
0 3 11 0.90 0.40
0 3 12 0.40 0.40
0 3 13 0.00 0.40
0 3 14 1.40 0.80
0 3 15 0.40 1.20
0 3 16 1.10 1.30
0 3 17 0.30 1.40
0 3 18 1.40 1.40
0 3 19 -1.40 2.00
0 4 0 8484.10 266.80
0 4 1 1076.20 9.70
0 4 2 2906.10 24.50
0 4 3 7081.50 160.90
0 4 4 6390.10 144.90
0 4 5 26.00 0.50
0 4 6 1543.10 13.50
0 4 7 3439.10 37.10
0 4 8 176.70 2.60
0 4 9 191.30 2.90
0 4 10 1725.20 23.90
0 4 11 253.60 3.80
0 4 12 453.20 6.20
0 4 13 553.80 9.00
0 4 14 1312.50 23.70
0 4 15 -0.30 1.10
0 4 16 8.40 1.60
0 4 17 221.70 5.80
0 4 18 2.50 1.60
0 4 19 11.60 2.00
0 5 0 0.10 0.40
0 5 1 0.90 0.20
0 5 2 1.30 0.20
0 5 3 1.00 0.30
0 5 4 0.60 0.30
0 5 5 0.00 0.30
0 5 6 0.80 0.30
0 5 7 0.20 0.40
0 5 8 0.90 0.40
0 5 9 1.50 0.40
0 5 10 0.30 0.40
0 5 11 1.60 0.50
0 5 12 0.50 0.40
0 5 13 2.90 0.90
0 5 14 -0.90 1.20
0 5 15 -0.80 1.30
0 5 16 -0.20 1.30
0 5 17 0.30 1.50
0 5 18 0.10 1.90
0 5 19 -0.50 2.10
0 6 0 5086.40 94.80
0 6 1 6.90 0.20
0 6 2 7513.70 139.60
0 6 3 5741.00 64.90
0 6 4 4694.70 47.80
0 6 5 1.90 0.30
0 6 6 2834.90 27.10
0 6 7 2390.90 26.40
0 6 8 564.10 6.80
0 6 9 137.80 2.30
0 6 10 664.50 8.70
0 6 11 412.70 6.60
0 6 12 2316.10 34.70
0 6 13 290.20 5.70
0 6 14 7.60 1.30
0 6 15 16.80 1.90
0 6 16 65.10 3.30
0 6 17 142.50 5.50
0 6 18 -1.40 1.60
0 7 0 0.10 0.40
0 7 1 1.60 0.30
0 7 2 0.90 0.30
0 7 3 0.60 0.20
0 7 4 0.90 0.30
0 7 5 0.50 0.30
0 7 6 0.50 0.30
0 7 7 0.20 0.40
0 7 8 1.60 0.50
0 7 9 1.40 0.50
0 7 10 0.00 0.40
0 7 11 0.70 0.80
0 7 12 0.70 0.80
0 7 13 1.30 1.00
0 7 14 0.70 1.40
0 7 15 0.70 1.50
0 7 16 -0.50 1.40
0 7 17 -1.50 1.70
0 7 18 -0.50 1.70
0 8 0 132.30 2.40
0 8 1 2.50 0.40
0 8 2 2278.40 22.10
0 8 3 3605.20 41.70
0 8 4 1595.90 14.60
0 8 5 297.00 3.40
0 8 6 859.20 8.90
0 8 7 2265.80 26.10
0 8 8 149.80 2.40
0 8 9 158.20 2.90
0 8 10 4.10 0.80
0 8 11 334.90 6.50
0 8 12 937.80 14.30
0 8 13 306.30 6.60
0 8 14 30.00 2.20
0 8 15 43.50 2.70
0 8 16 37.10 2.70
0 8 17 194.30 7.50
0 9 0 -0.10 0.50
0 9 1 1.10 0.40
0 9 2 0.30 0.40
0 9 3 0.70 0.30
0 9 4 0.90 0.30
0 9 5 0.20 0.20
0 9 6 0.70 0.40
0 9 7 -0.40 0.50
0 9 8 0.60 0.60
0 9 9 -0.40 0.60
0 9 10 0.50 0.80
0 9 11 -0.30 0.80
0 9 12 0.50 1.00
0 9 13 -0.30 1.00
0 9 14 -0.20 1.60
0 9 15 -0.20 1.40
0 9 16 -2.00 1.90
0 10 0 633.00 9.40
0 10 1 4.30 0.50
0 10 2 1774.90 19.90
0 10 3 14.10 0.70
0 10 4 104.70 1.50
0 10 5 240.70 3.70
0 10 6 6.00 0.60
0 10 7 22.20 0.80
0 10 8 397.50 7.50
0 10 9 1.20 0.80
0 10 10 154.60 3.80
0 10 11 22.20 1.40
0 10 12 376.30 8.30
0 10 13 22.20 1.80
0 10 14 156.80 6.30
0 10 15 22.10 2.20
0 10 16 18.60 2.30
0 11 0 1.00 0.70
0 11 1 0.90 0.50
0 11 2 0.70 0.50
0 11 3 -0.20 0.40
0 11 4 1.40 0.70
0 11 5 -0.30 0.80
0 11 6 1.50 1.00
0 11 7 -0.60 1.00
0 11 8 0.50 0.90
0 11 9 0.90 1.00
0 11 10 -0.40 1.20
0 11 11 3.60 1.20
0 11 12 -1.30 1.20
0 11 13 0.70 1.50
0 11 14 -0.50 1.70
0 11 15 1.20 1.70
0 12 0 1719.70 30.50
0 12 1 1379.70 18.20
0 12 2 535.10 8.10
0 12 3 0.80 0.60
0 12 4 210.50 4.20
0 12 5 1124.60 16.10
0 12 6 197.80 4.70
0 12 7 4.60 1.10
0 12 8 409.70 8.70
0 12 9 934.40 19.20
0 12 10 573.50 12.20
0 12 11 33.00 2.10
0 12 12 35.10 2.50
0 12 13 -0.40 2.00
0 13 0 4.10 1.30
0 13 1 0.80 0.80
0 13 2 0.50 0.90
0 13 3 0.60 0.90
0 13 4 -0.20 0.80
0 13 5 -0.90 0.90
0 13 6 0.30 1.00
0 13 7 -1.60 0.90
0 13 8 2.10 1.00
0 13 9 -0.90 1.00
0 13 10 0.10 1.20
0 13 11 0.20 1.40
0 13 12 0.20 1.50
0 14 0 931.80 29.10
0 14 1 9.50 1.30
0 14 2 -1.80 1.20
0 14 3 79.40 3.20
0 14 4 93.90 3.50
0 14 5 6.50 1.40
0 14 6 63.50 2.70
0 14 7 68.30 2.80
0 14 8 72.40 3.30
0 14 9 0.70 1.50
0 14 10 190.50 5.90
0 15 0 -3.00 1.90
0 15 1 -2.60 1.40
0 15 2 1.80 1.40
0 15 3 2.40 1.50
0 15 4 -0.90 1.40
0 15 5 1.50 1.50
0 15 6 2.60 1.40
0 15 7 -2.20 2.10
0 15 8 -1.90 1.70
0 16 0 168.90 8.00
0 16 1 16.00 2.10
0 16 2 7.70 2.10
0 16 3 2.70 1.70
0 16 4 136.20 4.70
0 16 5 127.80 4.90
1 0 2 2.90 0.20
1 0 4 0.30 0.10
1 0 6 -0.30 0.30
1 0 8 -0.70 0.30
1 0 9 1.40 0.40
1 0 10 0.30 0.40
1 0 11 772.60 9.00
1 0 12 0.10 0.30
1 0 13 359.80 6.20
1 0 14 1.80 1.10
1 0 15 186.60 4.50
1 0 16 -2.30 1.30
1 0 17 901.40 18.30
1 0 18 0.10 1.50
1 0 19 84.50 3.60
1 0 20 -1.30 2.50
1 1 3 1452.80 12.80
-1 -1 -3 1449.50 11.90
1 1 4 6407.20 203.90
-1 -1 -4 6679.50 212.90
1 1 5 2678.10 24.20
-1 -1 -5 2657.60 23.10
1 1 6 2521.80 22.10
-1 -1 -6 2519.20 22.20
1 1 7 46.40 0.70
-1 -1 -7 48.20 0.80
1 1 8 682.30 6.90
-1 -1 -8 686.70 7.50
1 1 9 177.60 2.40
-1 -1 -9 181.60 2.60
1 1 10 136.90 2.30
-1 -1 -10 138.20 2.10
1 1 11 -0.30 0.50
-1 -1 -11 0.40 0.40
1 1 12 479.90 7.10
-1 -1 -12 475.80 5.70
1 1 13 87.50 2.60
-1 -1 -13 82.60 2.00
1 1 14 100.00 3.00
-1 -1 -14 99.10 2.90
1 1 15 50.50 2.30
-1 -1 -15 42.20 1.70
1 1 16 41.60 2.20
-1 -1 -16 43.00 1.90
1 1 17 27.00 2.10
-1 -1 -17 30.00 2.10
1 1 18 18.70 2.00
-1 -1 -18 20.20 2.00
1 1 19 0.40 1.70
-1 -1 -19 1.00 2.00
1 1 20 3.80 1.70
-1 -1 -20 0.20 2.40
1 2 0 1187.70 10.40
1 2 1 2726.00 29.20
-1 -2 -1 2728.80 27.80
1 2 3 243.40 2.40
-1 -2 -3 244.90 2.50
1 2 4 2882.10 25.80
-1 -2 -4 2935.20 23.90
1 2 5 4059.10 49.50
-1 -2 -5 4151.50 44.50
1 2 6 497.10 5.00
-1 -2 -6 493.70 4.20
1 2 7 17.60 0.50
-1 -2 -7 17.50 0.40
1 2 8 5445.20 78.20
-1 -2 -8 5477.70 78.10
1 2 9 992.90 12.40
-1 -2 -9 984.40 10.90
1 2 10 701.70 10.30
-1 -2 -10 702.10 8.30
1 2 11 117.20 2.50
-1 -2 -11 113.00 1.90
1 2 12 2516.30 38.90
-1 -2 -12 2478.60 30.20
1 2 13 16.90 1.40
-1 -2 -13 17.00 1.10
1 2 14 341.10 7.30
-1 -2 -14 341.10 5.80
1 2 15 166.30 4.70
-1 -2 -15 164.40 3.30
1 2 16 341.90 7.90
-1 -2 -16 330.50 6.50
1 2 17 0.00 1.40
-1 -2 -17 3.60 1.40
1 2 18 28.90 2.20
-1 -2 -18 31.40 2.60
1 2 19 41.80 2.80
-1 -2 -19 46.30 3.40
1 3 0 6.30 0.20
1 3 1 6808.90 215.50
-1 -3 -1 6707.20 213.90
1 3 2 658.00 5.70
-1 -3 -2 659.90 5.90
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1 3 4 652.70 6.30
-1 -3 -4 654.80 5.40
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1 3 7 130.10 1.70
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1 3 8 37.20 1.00
-1 -3 -8 40.00 0.70
1 3 9 1444.10 20.90
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1 3 10 12.80 0.40
-1 -3 -10 9.90 0.50
1 3 11 25.70 0.70
-1 -3 -11 25.80 0.90
1 3 12 83.40 1.60
-1 -3 -12 82.90 1.70
1 3 13 172.90 4.10
-1 -3 -13 169.30 2.90
1 3 14 17.60 1.40
-1 -3 -14 18.50 1.10
1 3 15 3.40 1.30
-1 -3 -15 3.70 0.90
1 3 16 7.80 1.70
-1 -3 -16 5.10 1.40
1 3 17 25.10 2.20
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1 3 18 1.00 1.50
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1 3 19 34.90 2.60
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1 4 0 1359.90 11.00
1 4 1 39.30 0.50
-1 -4 -1 38.90 0.50
1 4 2 2057.70 18.10
-1 -4 -2 2032.00 16.70
1 4 3 3751.60 38.10
-1 -4 -3 3736.70 36.30
1 4 4 3141.20 28.20
-1 -4 -4 3138.80 25.40
1 4 5 4201.80 48.20
-1 -4 -5 4253.60 41.30
1 4 6 363.20 3.80
-1 -4 -6 370.30 3.20
1 4 7 4590.60 65.60
-1 -4 -7 4596.90 46.80
1 4 8 245.30 3.40
-1 -4 -8 249.50 2.80
1 4 9 522.20 7.30
-1 -4 -9 526.60 5.90
1 4 10 916.10 15.00
-1 -4 -10 935.80 10.70
1 4 11 93.90 2.60
-1 -4 -11 94.10 1.70
1 4 12 131.80 3.40
-1 -4 -12 141.60 2.90
1 4 13 132.30 3.50
-1 -4 -13 141.30 3.50
1 4 14 451.50 9.50
-1 -4 -14 452.80 8.30
1 4 15 122.80 4.00
-1 -4 -15 116.20 3.60
1 4 16 2.00 1.70
-1 -4 -16 -0.30 1.40
1 4 17 294.60 8.40
-1 -4 -17 281.90 7.50
1 4 18 -2.10 1.60
-1 -4 -18 0.60 1.40
1 4 19 81.20 3.70
-1 -4 -19 84.50 4.30
1 5 0 2659.70 26.10
1 5 1 3410.20 33.40
-1 -5 -1 3403.30 31.90
1 5 2 180.70 1.90
-1 -5 -2 183.50 1.90
1 5 3 11.30 0.30
-1 -5 -3 11.20 0.30
1 5 4 38.40 0.60
-1 -5 -4 39.20 0.60
1 5 5 30.50 0.60
-1 -5 -5 30.80 0.50
1 5 6 157.70 2.10
-1 -5 -6 160.90 1.80
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1 5 19 3.70 2.20
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1 6 2 205.10 2.00
-1 -6 -2 203.40 2.30
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1 6 7 95.10 1.80
-1 -6 -7 95.50 1.50
1 6 8 115.10 2.20
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-1 -6 -14 366.80 8.60
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1 6 16 11.00 1.70
-1 -6 -16 11.00 1.70
1 6 17 57.10 3.30
-1 -6 -17 57.60 2.90
1 6 18 3.00 1.90
-1 -6 -18 3.20 1.70
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1 8 8 255.90 4.00
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1 8 9 238.40 4.70
-1 -8 -9 241.70 3.90
1 8 10 913.30 15.10
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1 8 11 32.00 1.50
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1 9 2 41.30 1.00
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1 9 3 5.90 0.50
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1 9 4 0.70 0.40
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1 9 5 73.80 1.50
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1 9 8 91.00 2.40
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1 9 16 3.60 1.70
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-10 -1 -6 4.50 1.40
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10 2 2 11.00 1.30
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10 2 5 66.10 2.60
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-10 -2 -6 30.60 2.50
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-10 -2 -9 -0.30 1.70
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10 3 1 32.30 1.70
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-10 -3 -9 3.10 3.60
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10 5 4 69.90 2.90
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10 5 8 0.50 1.50
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10 6 8 34.00 2.40
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10 7 3 17.10 1.90
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10 7 6 33.20 2.60
-10 -7 -6 25.80 3.90
10 7 7 6.30 2.00
-10 -7 -7 4.20 3.10
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10 9 1 12.50 1.90
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10 9 2 129.90 4.30
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11 0 6 -2.30 1.60
11 0 7 2.60 2.30
11 0 8 -0.30 2.80
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11 2 7 7.50 2.00
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11 4 4 12.90 1.90
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11 5 3 5.10 2.00
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-12 -1 -1 2.90 1.70