#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2216716.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_2216716_Fobs
loop_
_publ_author_name
'Fernandes, Philippe'
'Florence, Alastair J.'
'Fabbiani, Francesca'
'David, William I. F.'
'Shankland, Kenneth'
_publ_section_title
;
 Urea--<i>N,N</i>-dimethylformamide (3/1)
;
_journal_coeditor_code           PK2065
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4861
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             07-06-11
_audit_creation_method           CRYSTALS
_cell_angle_alpha                65.61(4)
_cell_angle_beta                 79.43(2)
_cell_angle_gamma                70.76(2)
_cell_length_a                   7.5246(13)
_cell_length_b                   9.866(4)
_cell_length_c                   10.821(4)
_[local]_cod_data_source_file    pk2065Isup2.hkl
_[local]_cod_data_source_block   I
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_calc
_refln_F_squared_sigma
_refln_observed_status
1 0 0 37317.88 34292.78 392.12 o
2 0 0 155218.59 160623.61 1287.20 o
3 0 0 2534.25 2853.54 62.49 o
4 0 0 7163.39 8460.55 105.10 o
5 0 0 4473.84 4312.23 93.88 o
6 0 0 1294.54 1549.94 136.54 o
7 0 0 5617.17 5843.48 181.96 o
8 0 0 2441.86 2228.92 145.44 o
-8 1 0 565.65 289.40 189.18 o
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-4 1 0 14442.89 13508.78 202.93 o
-3 1 0 7385.95 6450.40 113.40 o
-2 1 0 84490.42 89207.41 1070.27 o
-1 1 0 93642.65 93156.62 778.49 o
1 1 0 72106.69 70234.45 627.03 o
2 1 0 154646.59 168723.20 1356.80 o
3 1 0 14299.65 13444.69 203.95 o
4 1 0 789.52 741.33 58.14 o
5 1 0 3705.80 4005.13 109.01 o
6 1 0 660.09 713.60 75.09 o
7 1 0 6145.24 6110.21 207.16 o
8 1 0 37.74 103.28 57.20 o
9 1 0 819.38 776.59 83.67 o
-8 2 0 45.02 10.45 146.75 o
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-6 2 0 1605.25 1590.70 109.69 o
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0 2 0 30765.15 33411.63 291.18 o
1 2 0 505658.50 498712.34 4574.60 o
2 2 0 729975.81 788245.69 9012.70 o
3 2 0 57765.02 52901.85 576.02 o
4 2 0 2071.98 2113.88 75.45 o
5 2 0 3599.72 3658.19 141.24 o
6 2 0 -26.14 30.18 121.42 o
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8 2 0 2834.51 2908.35 144.60 o
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0 3 0 74346.84 74013.44 665.51 o
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2 3 0 134581.41 133123.61 1182.80 o
3 3 0 19673.93 23560.54 237.58 o
4 3 0 23503.59 22696.65 357.52 o
5 3 0 8692.74 8499.91 151.21 o
6 3 0 1859.30 1936.70 66.32 o
7 3 0 2632.54 2849.26 93.14 o
8 3 0 11536.35 10292.17 153.66 o
9 3 0 -79.56 19.90 196.50 o
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-2 4 0 17525.58 16800.31 209.76 o
-1 4 0 8349.31 8195.05 109.20 o
0 4 0 41314.57 37972.30 440.95 o
1 4 0 24392.42 24369.17 303.88 o
2 4 0 97488.61 100635.13 864.29 o
3 4 0 7069.04 7703.55 110.71 o
4 4 0 32132.46 32537.42 370.66 o
5 4 0 11.53 37.08 20.81 o
6 4 0 22.29 96.75 46.13 o
7 4 0 -7.68 79.02 64.84 o
8 4 0 854.41 740.37 88.36 o
9 4 0 418.14 307.12 68.98 o
-7 5 0 1065.53 773.81 814.93 o
-6 5 0 1602.05 1839.26 143.41 o
-5 5 0 384.08 215.73 171.90 o
-4 5 0 1419.34 1312.48 64.33 o
-3 5 0 18.25 40.01 33.27 o
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0 5 0 32471.21 33227.08 347.38 o
1 5 0 28715.89 26016.33 336.83 o
2 5 0 28701.16 29538.86 345.83 o
3 5 0 63294.48 65081.22 737.41 o
4 5 0 237.23 109.16 90.83 o
5 5 0 12570.14 12724.53 201.04 o
6 5 0 394.61 467.14 71.60 o
7 5 0 319.04 297.68 86.34 o
8 5 0 242.85 262.37 91.63 o
9 5 0 978.13 867.95 91.01 o
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0 6 0 2482.99 2172.85 112.65 o
1 6 0 11507.52 9991.03 175.87 o
2 6 0 8370.22 8130.31 207.09 o
3 6 0 92592.48 87541.92 1303.40 o
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5 6 0 336.62 280.27 104.59 o
6 6 0 3401.02 3715.42 156.71 o
7 6 0 583.91 591.84 79.98 o
8 6 0 362.44 229.74 77.30 o
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3 7 0 164.79 215.99 69.31 o
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5 7 0 157.87 99.69 89.62 o
6 7 0 6982.32 7375.35 156.10 o
7 7 0 13.96 18.58 20.87 o
8 7 0 9.15 22.10 17.74 o
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0 8 0 -66.21 0.73 124.00 o
1 8 0 9.55 37.02 18.55 o
2 8 0 10296.38 11153.72 145.17 o
3 8 0 1720.06 2002.38 85.64 o
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5 8 0 7491.43 7513.46 356.27 o
6 8 0 391.69 629.28 80.44 o
7 8 0 132.14 1.13 76.33 o
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2 9 0 1135.50 1096.88 61.02 o
3 9 0 643.35 835.72 90.22 o
4 9 0 109.95 86.73 92.46 o
5 9 0 4367.41 4418.38 145.45 o
6 9 0 1003.20 1269.07 101.65 o
7 9 0 617.66 594.01 103.65 o
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0 10 0 835.26 658.59 100.11 o
1 10 0 -55.22 23.40 152.20 o
2 10 0 41.40 107.27 38.26 o
3 10 0 1837.04 2065.40 102.94 o
4 10 0 276.35 163.77 80.10 o
5 10 0 3624.49 3639.80 163.69 o
6 10 0 520.46 505.98 85.97 o
1 11 0 1384.54 1373.14 88.67 o
2 11 0 29.80 112.65 28.42 o
3 11 0 481.18 427.41 80.99 o
4 11 0 -12.14 6.37 153.84 o
5 11 0 255.61 39.49 131.02 o
3 12 0 21.85 26.52 76.44 o
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-3 -11 1 240.36 4.27 93.85 o
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-6 -10 1 3153.56 2948.65 146.11 o
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-2 -10 1 56.21 24.17 52.11 o
-1 -10 1 735.14 713.27 69.35 o
0 -10 1 -35.81 7.03 144.17 o
1 -10 1 2274.58 2233.30 129.20 o
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-5 -9 1 2394.13 2349.85 89.30 o
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0 -9 1 331.40 453.47 66.99 o
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1 -8 1 0.40 2.56 4.98 o
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4 -8 1 0.13 57.31 117.77 o
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1 -6 1 1465.16 1778.01 54.70 o
2 -6 1 211.80 270.82 53.08 o
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