#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/65/2016515.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_2016515_Fobs
loop_
_publ_author_name
'Trilleras, Jorge'
'Low, John N.'
'Cobo, Justo'
'Marchal, Antonio'
'Glidewell, Christopher'
_publ_section_title
;
 Hydrogen-bonded ribbons in ethyl
 (<i>E</i>)-3-[2-amino-4,6-bis(dimethylamino)pyrimidin-5-yl]-2-cyanoacrylate
 and
 2-[(2-amino-4,6-di-1-piperidylpyrimidin-5-yl)methylene]malononitrile
;
_journal_coeditor_code           SK3200
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o145
_journal_page_last               o148
_journal_volume                  64
_journal_year                    2008
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                116.332
_cell_angle_beta                 96.794
_cell_angle_gamma                93.587
_cell_length_a                   9.69600
_cell_length_b                   14.7520
_cell_length_c                   15.4180
_exptl_crystal_F_000             720.00
_reflns_d_resolution_high        0.7709
_[local]_cod_data_source_file    sk3200IIsup3.hkl
_[local]_cod_data_source_block   II
#BEGIN Tags that were not found in dictionaries:
_shelx_title
' jtE25                                              '
_shelx_refln_list_code           4
_shelx_F_calc_maximum            186.93
_shelx_F_squared_multiplier      0.010
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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
_refln_sint/lambda
2 0 0 19725.78 29086.33 320.72 o 0.10474
3 0 0 31300.04 31601.26 370.62 o 0.15712
4 0 0 52390.91 50618.47 564.88 o 0.20949
5 0 0 7127.66 6839.09 243.22 o 0.26186
6 0 0 34353.11 35707.56 597.85 o 0.31423
7 0 0 5088.96 3745.09 435.42 o 0.36660
8 0 0 7854.10 7506.84 589.24 o 0.41897
9 0 0 2156.75 1958.61 945.95 o 0.47135
-10 0 0 12937.50 15816.88 2191.23 o 0.52372
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-12 0 0 3599.76 5073.40 4606.42 o 0.62846
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-8 1 0 14384.41 13490.78 817.51 o 0.41577
-7 1 0 440.67 1003.99 428.50 o 0.36364
-6 1 0 294.27 476.05 260.68 o 0.31160
-5 1 0 44632.25 41704.07 541.67 o 0.25970
-4 1 0 5504.72 9688.12 219.84 o 0.20802
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2 1 0 80008.83 52618.05 548.07 o 0.11601
3 1 0 46338.93 45826.34 569.07 o 0.16640
4 1 0 124967.67 123784.79 1234.17 o 0.21773
5 1 0 1776.12 1989.13 272.85 o 0.26946
6 1 0 21922.70 17113.72 452.17 o 0.32139
7 1 0 52237.51 58411.88 1069.64 o 0.37345
8 1 0 32830.51 28685.04 874.73 o 0.42559
9 1 0 17176.88 18278.08 1230.57 o 0.47777
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1 2 0 22517.56 36799.09 498.10 o 0.09795
2 2 0 1770.91 1411.46 124.94 o 0.13731
3 2 0 472.66 496.41 200.01 o 0.18331
4 2 0 5453.14 6259.17 249.69 o 0.23202
5 2 0 30053.64 29535.39 537.50 o 0.28205
6 2 0 742.28 6004.10 431.29 o 0.33280
7 2 0 143281.70 150801.25 2378.02 o 0.38398
8 2 0 23823.42 22551.87 938.10 o 0.43545
9 2 0 50400.54 51369.64 1789.21 o 0.48711
-10 -2 0 21506.14 16038.94 2284.07 o 0.53891
-11 -2 0 5997.66 4969.99 3448.98 o 0.59081
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2 3 0 174811.86 178961.69 1803.69 o 0.16480
3 3 0 2008.54 1280.68 185.64 o 0.20597
4 3 0 14516.37 11313.33 341.49 o 0.25134
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7 3 0 1208.25 770.37 605.22 o 0.39791
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9 3 0 31989.24 32574.09 1789.55 o 0.49920
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0 4 0 210393.33 216383.11 2044.94 o 0.15255
1 4 0 523762.00 457680.63 4409.12 o 0.16757
2 4 0 15264.20 15675.17 350.20 o 0.19589
3 4 0 39251.60 31694.85 514.92 o 0.23271
4 4 0 63673.33 64563.58 926.02 o 0.27462
5 4 0 370.68 29.96 368.00 o 0.31964
6 4 0 4891.33 3788.35 566.20 o 0.36661
7 4 0 14853.54 13118.93 849.84 o 0.41488
8 4 0 3517.45 2331.53 1121.24 o 0.46404
9 4 0 224.84 0.00 1315.53 o 0.51384
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1 5 0 15170.46 13979.12 325.02 o 0.20417
2 5 0 259184.55 274295.84 2758.47 o 0.22912
3 5 0 9364.37 8854.92 350.76 o 0.26228
4 5 0 58263.50 56368.21 825.84 o 0.30096
5 5 0 21960.97 23616.31 656.31 o 0.34328
6 5 0 12542.45 10962.88 671.19 o 0.38806
7 5 0 2049.06 1551.47 744.34 o 0.43455
8 5 0 55642.62 50056.04 2079.07 o 0.48224
9 5 0 2559.51 2299.45 1756.83 o 0.53082
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-11 -5 0 46087.10 68782.70 5843.91 o 0.62979
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0 6 0 23686.18 19837.58 391.02 o 0.22883
1 6 0 128662.80 121283.40 1312.41 o 0.24125
2 6 0 26849.93 30660.06 573.21 o 0.26368
3 6 0 2132.18 1693.63 357.51 o 0.29384
4 6 0 32023.11 26833.61 708.42 o 0.32960
5 6 0 5648.69 5870.82 646.72 o 0.36935
6 6 0 4404.94 4402.40 717.85 o 0.41194
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8 6 0 20048.26 21065.62 1621.08 o 0.50268
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0 7 0 35.08 336.99 260.18 o 0.26696
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2 7 0 5754.66 6497.47 371.99 o 0.29912
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5 7 0 15908.09 16527.78 796.87 o 0.39738
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