#------------------------------------------------------------------------------
#$Date: 2013-08-28 13:42:33 +0300 (Wed, 28 Aug 2013) $
#$Revision: 88054 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/80/2238080.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_2238080_Fobs
loop_
_publ_author_name
'Khoo, Teng-Jin'
'bin Break, Mohammed Khaled'
'Tahir, M. Ibrahim M.'
'Krouse, Karen A.'
'Cowley, Andrew R.'
'Watkin, David J.'
_publ_section_title
;
 Bis{(<i>Z</i>)-[(<i>E</i>)-2-(pyridin-2-ylmethylidene)hydrazin-1-ylidene][(pyridin-2-yl)methylsulfanyl]methanethiolato}nickel(II)
;
_journal_coeditor_code           WM2742
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m323
_journal_page_last               m324
_journal_volume                  69
_journal_year                    2013
_chemical_formula_sum            'C26 H22 N8 S4 Ni'
_chemical_name_common            'Compound X'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 103.8993(9)
_cell_angle_gamma                90.0000
_cell_length_a                   26.05010(40)
_cell_length_b                   8.00570(10)
_cell_length_c                   13.07430(20)
_cell_measurement_reflns_used    3175
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     2646.798(67)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_diffrn_detector_area_resol_mean 9
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.0089235
_diffrn_orient_matrix_UB_12      -0.0120213
_diffrn_orient_matrix_UB_13      -0.0698777
_diffrn_orient_matrix_UB_21      -0.0116056
_diffrn_orient_matrix_UB_22      0.1176871
_diffrn_orient_matrix_UB_23      -0.0179333
_diffrn_orient_matrix_UB_31      0.0367359
_diffrn_orient_matrix_UB_32      0.0400999
_diffrn_orient_matrix_UB_33      0.0316834
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_type           'Mo K-alpha'
_[local]_cod_data_source_file    wm2742Isup2.hkl
_[local]_cod_data_source_block   I
_[local]_cod_cif_authors_sg_H-M  C2
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_id
0.71073 all
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_sigma
0 0 2 -0.70 0.40
0 0 3 0.90 0.50
0 0 4 72.00 3.90
0 0 5 -1.00 0.90
0 0 6 1685.30 75.30
0 0 7 -1.10 1.00
0 0 8 1.50 0.70
0 0 9 -0.10 0.90
0 0 10 146.40 4.80
0 0 11 -0.70 0.80
0 0 12 412.90 14.20
0 0 13 -0.20 0.90
0 0 14 109.30 4.80
0 0 15 -1.30 1.00
0 0 16 18.10 2.50
0 2 0 50.50 2.90
0 -2 0 46.70 2.00
0 2 1 255.50 10.70
0 -2 -1 255.00 6.00
0 2 2 4.60 0.60
0 -2 -2 4.30 0.50
0 2 3 33.30 1.40
0 -2 -3 32.90 1.20
0 2 4 142.40 4.00
0 -2 -4 133.60 3.50
0 2 5 28.90 2.10
0 -2 -5 31.00 1.20
0 2 6 103.90 4.40
0 -2 -6 106.50 3.20
0 2 7 11.60 0.60
0 -2 -7 11.90 0.90
0 2 8 38.10 1.40
0 -2 -8 34.90 1.60
0 2 9 24.30 1.10
0 -2 -9 21.90 1.40
0 2 10 73.30 2.60
0 -2 -10 69.20 3.70
0 2 11 0.60 0.50
0 -2 -11 -0.10 0.90
0 2 12 2.00 0.60
0 -2 -12 1.50 0.70
0 2 13 6.10 0.70
0 -2 -13 6.10 1.00
0 2 14 2.90 0.70
0 -2 -14 4.80 1.00
0 2 15 23.10 4.30
0 -2 -15 15.20 2.00
0 2 16 19.20 4.70
0 -2 -16 25.30 3.10
0 4 0 58.40 4.00
0 -4 0 63.90 2.20
0 4 1 0.70 1.40
0 -4 -1 1.10 0.50
0 4 2 231.80 11.60
0 -4 -2 230.50 5.40
0 4 3 209.70 9.60
0 -4 -3 217.10 5.10
0 4 4 218.50 7.90
0 -4 -4 219.10 5.70
0 4 5 2.20 0.60
0 -4 -5 3.10 0.40
0 4 6 171.30 6.00
0 -4 -6 176.80 7.10
0 4 7 1.30 1.40
0 -4 -7 -0.20 1.00
0 4 8 406.50 16.60
0 -4 -8 404.40 15.60
0 4 9 286.30 16.50
0 -4 -9 282.40 13.20
0 4 10 56.40 4.50
0 -4 -10 55.30 3.60
0 4 11 1.20 0.70
0 -4 -11 -1.00 0.70
0 4 12 47.50 3.50
0 -4 -12 48.50 2.90
0 4 13 4.40 2.30
0 -4 -13 2.70 1.40
0 4 14 37.00 5.90
0 -4 -14 39.80 4.30
0 4 15 17.90 5.40
0 -4 -15 20.80 5.30
0 -6 0 0.50 1.00
0 6 1 100.80 6.00
0 -6 -1 110.10 3.10
0 6 2 297.30 15.20
0 -6 -2 309.50 7.90
0 6 3 1.00 1.50
0 -6 -3 2.50 0.40
0 6 4 77.10 3.70
0 -6 -4 81.10 2.50
0 6 5 26.70 1.80
0 -6 -5 24.30 1.20
0 6 6 0.30 0.60
0 -6 -6 0.60 0.40
0 6 7 104.60 4.60
0 -6 -7 109.20 6.50
0 6 8 236.30 17.00
0 -6 -8 220.60 12.30
0 6 9 26.80 3.50
0 -6 -9 18.50 2.50
0 6 10 39.40 5.10
0 -6 -10 39.20 3.40
0 6 11 16.30 3.20
0 -6 -11 13.70 3.00
0 6 12 9.50 3.60
0 -6 -12 3.50 3.80
0 6 13 16.60 4.20
0 -6 -13 20.40 6.20
0 -8 0 13.50 1.40
0 -8 -1 20.70 1.10
0 -8 -2 12.50 0.90
0 8 3 1.80 1.60
0 -8 -3 0.50 0.60
0 8 4 9.60 1.50
0 -8 -4 9.80 1.20
0 8 5 18.30 2.00
0 -8 -5 16.70 1.40
0 8 6 0.20 0.90
0 -8 -6 1.00 0.80
0 8 7 -0.30 0.90
0 -8 -7 0.80 0.50
0 8 8 -0.30 3.00
0 -8 -8 0.50 2.50
0 8 9 1.00 2.60
0 -8 -9 -1.80 2.40
0 8 10 14.20 4.80
0 -8 -10 13.30 4.40
0 -10 0 113.50 9.00
0 -10 -1 35.60 3.10
0 -10 -2 1.10 1.40
0 -10 -3 2.00 1.90
0 -10 -4 3.60 1.60
1 1 -16 11.00 2.30
-1 -1 16 9.90 1.90
1 1 -15 8.10 1.70
-1 -1 15 8.20 1.30
1 1 -14 44.90 2.90
-1 -1 14 52.40 2.70
1 1 -13 2.10 0.80
-1 -1 13 3.10 0.70
1 1 -12 9.10 1.00
-1 -1 12 11.50 1.00
1 1 -11 12.30 1.00
-1 -1 11 13.90 1.00
1 1 -10 159.30 4.80
-1 -1 10 159.40 5.20
1 1 -9 -0.10 0.50
-1 -1 9 -0.40 0.60
1 1 -8 250.40 7.40
-1 -1 8 245.40 8.10
1 1 -7 184.30 6.40
-1 -1 7 189.70 6.00
1 1 -6 417.60 12.70
-1 -1 6 408.40 13.20
1 1 -5 396.40 12.60
-1 -1 5 396.60 11.80
1 1 -4 203.50 6.00
-1 -1 4 203.70 5.40
1 1 -3 197.80 5.10
-1 -1 3 194.40 5.10
1 1 -2 0.70 0.40
-1 -1 2 0.90 0.50
1 1 -1 0.50 0.20
-1 -1 1 0.00 0.20
1 1 0 0.10 0.40
-1 -1 0 0.20 0.30
1 1 1 0.40 0.40
-1 -1 -1 1.00 0.50
-1 -1 -2 0.00 0.30
1 1 3 170.50 5.10
-1 -1 -3 174.00 4.20
1 1 4 16.80 0.80
-1 -1 -4 14.40 1.30
1 1 5 0.10 0.40
-1 -1 -5 0.20 0.50
1 1 6 444.00 16.20
-1 -1 -6 430.10 18.00
1 1 7 21.00 1.40
-1 -1 -7 25.00 1.80
1 1 8 186.10 6.80
-1 -1 -8 180.30 9.40
1 1 9 31.30 1.40
-1 -1 -9 34.50 2.30
1 1 10 113.10 4.20
-1 -1 -10 109.10 4.50
1 1 11 9.60 0.90
-1 -1 -11 7.90 1.10
1 1 12 114.80 5.00
-1 -1 -12 108.60 4.00
1 1 13 8.00 1.10
-1 -1 -13 7.50 1.10
1 1 14 61.20 3.50
-1 -1 -14 61.90 2.90
1 1 15 4.50 2.20
-1 -1 -15 7.40 1.30
1 1 16 15.90 3.60
-1 -1 -16 20.40 2.50
1 3 -15 -0.70 3.30
-1 -3 15 -0.40 1.10
1 3 -14 54.20 4.70
-1 -3 14 57.40 4.70
1 3 -13 27.60 2.50
-1 -3 13 29.20 2.20
1 3 -12 10.50 1.30
-1 -3 12 12.80 1.40
1 3 -11 1.90 0.80
-1 -3 11 0.70 0.70
1 3 -10 0.90 0.70
-1 -3 10 -0.10 0.80
1 3 -9 0.40 0.60
-1 -3 9 0.90 0.70
1 3 -8 121.20 4.70
-1 -3 8 123.70 3.50
1 3 -7 80.40 2.90
-1 -3 7 75.00 2.30
1 3 -6 61.00 3.40
-1 -3 6 61.20 2.10
1 3 -5 1.50 0.70
-1 -3 5 1.30 0.80
1 3 -4 25.40 1.30
-1 -3 4 24.40 1.00
1 3 -3 21.40 1.20
-1 -3 3 22.10 0.80
1 3 -2 31.40 2.30
-1 -3 2 32.10 1.00
1 3 -1 7.20 1.60
-1 -3 1 8.80 0.60
1 3 0 139.80 4.80
-1 -3 0 136.80 4.10
1 3 1 10.10 1.40
-1 -3 -1 6.30 0.80
1 3 2 6.70 1.50
-1 -3 -2 4.80 0.90
1 3 3 -0.10 0.40
-1 -3 -3 -0.50 0.80
1 3 4 71.00 2.90
-1 -3 -4 69.30 2.30
1 3 5 193.30 9.80
-1 -3 -5 169.60 5.20
1 3 6 82.60 4.50
-1 -3 -6 90.00 2.60
1 3 7 2.30 0.50
-1 -3 -7 2.30 0.60
1 3 8 11.80 2.20
-1 -3 -8 8.40 0.70
1 3 9 10.90 1.10
-1 -3 -9 8.50 0.90
1 3 10 22.70 1.40
-1 -3 -10 20.00 1.50
1 3 11 7.10 1.20
-1 -3 -11 8.50 1.20
1 3 12 50.20 3.20
-1 -3 -12 44.50 3.10
1 3 13 1.70 1.30
-1 -3 -13 -1.30 1.10
1 3 14 2.00 3.10
-1 -3 -14 3.50 1.50
1 3 15 6.40 3.10
-1 -3 -15 5.60 1.90
1 5 -14 5.70 2.90
-1 -5 14 -1.60 3.30
1 5 -13 4.20 2.30
-1 -5 13 7.40 2.90
1 5 -12 78.60 6.70
-1 -5 12 72.00 7.00
1 5 -11 9.90 2.80
-1 -5 11 2.30 1.60
1 5 -10 101.30 7.00
-1 -5 10 86.80 4.90
1 5 -9 69.00 5.40
-1 -5 9 74.50 4.40
1 5 -8 20.40 2.40
-1 -5 8 21.70 1.80
1 5 -7 26.50 1.60
-1 -5 7 23.60 2.00
1 5 -6 108.60 4.40
-1 -5 6 106.70 3.10
1 5 -5 9.70 0.90
-1 -5 5 9.00 0.70
1 5 -4 29.60 1.40
-1 -5 4 33.40 1.00
1 5 -3 36.60 2.60
-1 -5 3 37.30 1.40
1 5 -2 174.40 9.60
-1 -5 2 166.40 4.10
1 5 -1 30.30 2.50
-1 -5 1 29.60 1.10
1 5 0 148.00 7.70
-1 -5 0 147.60 3.70
1 5 1 124.10 7.40
-1 -5 -1 120.10 3.00
1 5 2 745.50 36.50
-1 -5 -2 756.90 15.00
1 5 3 58.60 3.50
-1 -5 -3 52.50 1.70
1 5 4 21.30 1.20
-1 -5 -4 23.80 1.00
1 5 5 61.00 2.70
-1 -5 -5 63.00 2.00
1 5 6 58.90 2.40
-1 -5 -6 60.20 2.20
1 5 7 70.60 4.60
-1 -5 -7 67.00 3.30
1 5 8 116.50 7.30
-1 -5 -8 114.50 5.80
1 5 9 12.80 2.60
-1 -5 -9 10.00 1.70
1 5 10 8.20 2.60
-1 -5 -10 2.10 1.80
1 5 11 9.40 2.70
-1 -5 -11 3.70 2.40
1 5 12 37.50 5.00
-1 -5 -12 51.80 5.60
1 5 13 22.40 4.00
-1 -5 -13 8.10 3.50
1 5 14 60.90 11.40
-1 -5 -14 64.40 11.90
1 7 -12 1.10 3.50
-1 -7 12 -1.00 2.90
1 7 -11 4.50 2.70
-1 -7 11 5.90 1.90
1 7 -10 -0.50 2.30
-1 -7 10 3.00 2.60
1 7 -9 -1.00 2.20
-1 -7 9 0.90 2.10
1 7 -8 22.00 1.50
-1 -7 8 14.90 1.80
1 7 -7 104.30 6.10
-1 -7 7 112.30 5.20
1 7 -6 0.20 0.80
-1 -7 6 0.80 0.60
1 7 -5 2.80 0.90
-1 -7 5 2.30 0.70
1 7 -4 19.90 1.50
-1 -7 4 22.80 1.40
1 7 -3 40.80 3.40
-1 -7 3 37.40 1.40
1 7 -2 39.30 3.40
-1 -7 2 41.70 1.80
-1 -7 1 151.80 4.60
-1 -7 0 7.50 0.70
1 7 1 2.90 1.30
-1 -7 -1 3.40 0.60
1 7 2 20.70 2.80
-1 -7 -2 21.40 1.10
1 7 3 5.10 1.70
-1 -7 -3 5.00 0.80
1 7 4 32.80 2.20
-1 -7 -4 33.20 1.60
1 7 5 67.40 3.40
-1 -7 -5 65.50 2.70
1 7 6 6.50 0.90
-1 -7 -6 7.00 0.80
1 7 7 28.60 2.00
-1 -7 -7 22.50 2.10
1 7 8 6.00 1.90
-1 -7 -8 2.10 1.50
1 7 9 6.90 3.20
-1 -7 -9 1.20 1.70
1 7 10 2.70 2.60
-1 -7 -10 5.90 3.40
1 7 11 22.70 5.10
-1 -7 -11 26.20 4.50
1 7 12 -6.50 4.50
-1 -7 -12 -1.30 4.20
1 9 -8 2.80 4.40
-1 -9 8 6.00 3.40
1 9 -7 37.60 5.10
-1 -9 7 34.70 6.20
1 9 -6 24.50 3.40
-1 -9 6 26.30 2.90
1 9 -5 2.60 1.30
-1 -9 5 -0.20 1.10
1 9 -4 14.40 1.90
-1 -9 4 15.10 1.60
-1 -9 3 8.90 1.00
-1 -9 2 4.00 0.80
-1 -9 1 58.90 3.30
-1 -9 0 -0.90 0.90
-1 -9 -1 -0.10 0.70
-1 -9 -2 23.90 1.70
1 9 3 -3.40 3.10
-1 -9 -3 3.40 0.70
1 9 4 3.60 1.30
-1 -9 -4 2.30 1.60
1 9 5 35.50 3.00
-1 -9 -5 35.00 3.00
1 9 6 4.50 2.70
-1 -9 -6 2.20 1.00
1 9 7 8.50 3.80
-1 -9 -7 14.90 3.60
1 9 8 16.20 4.10
-1 -9 -8 26.30 6.10
2 0 -16 18.70 2.20
2 0 -15 1.00 0.90
2 0 -14 153.50 7.10
2 0 -13 0.50 0.80
2 0 -12 4.40 0.80
2 0 -11 0.00 0.60
2 0 -10 43.10 1.80
2 0 -9 -0.40 0.50
2 0 -8 520.20 15.60
2 0 -7 -0.40 0.40
2 0 -6 10.10 0.70
2 0 -5 0.10 0.50
2 0 -4 368.00 13.60
2 0 -3 1.40 0.60
2 0 -2 0.30 0.20
2 0 2 1.10 0.50
2 0 3 1.40 0.60
2 0 4 2764.20 90.10
2 0 5 0.50 0.60
2 0 6 773.70 26.70
2 0 7 -1.40 0.60
2 0 8 165.40 5.80
2 0 9 0.00 0.60
2 0 10 170.00 6.60
2 0 11 1.30 1.00
2 0 12 89.40 3.80
2 0 13 -1.40 1.00
2 0 14 124.60 5.30
2 0 15 0.90 1.20
2 0 16 69.10 9.20
2 2 -16 4.80 3.30
-2 -2 16 5.70 1.90
2 2 -15 1.00 1.60
-2 -2 15 3.40 1.50
2 2 -14 27.50 1.50
-2 -2 14 28.10 1.90
2 2 -13 29.90 1.50
-2 -2 13 27.10 1.60
2 2 -12 12.30 0.80
-2 -2 12 12.90 1.10
2 2 -11 70.60 2.70
-2 -2 11 73.80 3.00
2 2 -10 45.40 1.60
-2 -2 10 42.30 1.90
2 2 -9 4.50 0.50
-2 -2 9 3.20 0.70
2 2 -8 2.70 0.30
-2 -2 8 1.70 1.00
2 2 -7 37.20 1.90
-2 -2 7 38.60 1.60
2 2 -6 2.30 0.60
-2 -2 6 3.20 0.60
2 2 -5 233.70 6.10
-2 -2 5 237.50 6.20
2 2 -4 3.50 0.50
-2 -2 4 4.90 0.50
2 2 -3 26.40 0.90
-2 -2 3 26.10 0.80
2 2 -2 25.70 1.10
-2 -2 2 26.90 0.90
2 2 -1 5.30 0.60
-2 -2 1 3.10 0.50
2 2 0 68.20 2.40
-2 -2 0 67.50 1.70
2 2 1 126.70 4.50
-2 -2 -1 129.80 3.90
2 2 2 461.60 14.70
-2 -2 -2 441.20 13.60
2 2 3 50.50 2.20
-2 -2 -3 50.70 1.90
2 2 4 1.50 0.70
-2 -2 -4 0.30 0.50
2 2 5 81.00 3.20
-2 -2 -5 83.80 2.30
2 2 6 0.40 0.50
-2 -2 -6 0.70 0.40
2 2 7 157.60 5.20
-2 -2 -7 163.90 6.00
2 2 8 175.70 5.60
-2 -2 -8 171.60 6.00
2 2 9 0.30 0.50
-2 -2 -9 0.30 0.70
2 2 10 0.00 0.50
-2 -2 -10 -0.30 0.60
2 2 11 4.60 0.60
-2 -2 -11 3.90 0.80
2 2 12 6.40 0.70
-2 -2 -12 5.40 1.10
2 2 13 13.30 1.10
-2 -2 -13 14.70 1.60
2 2 14 81.30 6.50
-2 -2 -14 80.80 4.20
2 2 15 9.40 4.50
-2 -2 -15 5.50 1.40
2 4 -15 16.50 4.50
-2 -4 15 20.20 5.10
2 4 -14 45.50 7.00
-2 -4 14 38.10 3.90
2 4 -13 4.10 2.90
-2 -4 13 5.40 1.40
2 4 -12 21.70 3.40
-2 -4 12 13.60 1.40
2 4 -11 1.20 1.30
-2 -4 11 0.20 0.80
2 4 -10 4.40 1.90
-2 -4 10 4.30 0.90
2 4 -9 5.40 1.50
-2 -4 9 6.20 1.20
2 4 -8 212.80 9.60
-2 -4 8 221.00 7.50
2 4 -7 18.40 1.30
-2 -4 7 15.90 1.60
2 4 -6 80.40 2.90
-2 -4 6 76.90 3.20
2 4 -5 92.90 3.50
-2 -4 5 94.20 2.80
2 4 -4 163.40 6.20
-2 -4 4 164.10 3.50
2 4 -3 14.00 1.80
-2 -4 3 20.10 0.90
2 4 -2 225.50 12.70
-2 -4 2 243.00 5.30
2 4 -1 54.40 2.10
-2 -4 1 54.30 1.50
2 4 0 373.40 22.00
-2 -4 0 395.70 10.10
2 4 1 76.60 3.50
-2 -4 -1 78.70 2.10
2 4 2 75.60 4.10
-2 -4 -2 77.10 2.20
2 4 3 5.70 0.60
-2 -4 -3 4.20 0.90
2 4 4 109.10 3.70
-2 -4 -4 104.00 3.30
2 4 5 1.30 0.50
-2 -4 -5 1.00 0.40
2 4 6 175.50 8.00
-2 -4 -6 183.80 6.70
2 4 7 134.70 6.40
-2 -4 -7 142.80 6.50
2 4 8 18.40 2.30
-2 -4 -8 19.60 2.00
2 4 9 22.20 2.50
-2 -4 -9 20.70 1.80
2 4 10 123.90 5.40
-2 -4 -10 115.20 6.30
2 4 11 4.70 0.80
-2 -4 -11 3.20 0.90
2 4 12 143.30 9.50
-2 -4 -12 146.60 8.50
2 4 13 59.80 5.90
-2 -4 -13 60.90 4.80
2 4 14 27.90 4.80
-2 -4 -14 34.30 6.80
2 6 -13 30.40 6.40
-2 -6 13 22.90 5.80
2 6 -12 3.40 2.10
-2 -6 12 5.30 3.90
2 6 -11 8.70 2.70
-2 -6 11 4.70 3.30
2 6 -10 2.40 1.90
-2 -6 10 2.70 1.30
2 6 -9 14.00 2.50
-2 -6 9 10.70 1.60
2 6 -8 9.20 1.10
-2 -6 8 8.40 1.10
2 6 -7 55.10 3.40
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29 5 -4 0.70 3.40
29 5 -3 -1.30 3.30
29 5 -2 4.80 2.20
29 5 -1 16.70 3.00
30 0 -11 0.00 2.40
30 0 -10 32.40 5.80
30 0 -9 -0.80 2.50
30 0 -8 20.30 3.90
30 0 -7 -0.80 2.20
30 0 -6 18.30 1.40
30 0 -5 -1.00 1.00
30 0 -4 4.50 2.10
30 0 -3 -0.50 2.00
30 0 -2 42.00 4.20
30 0 -1 -1.80 1.70
30 0 0 13.80 2.40
30 0 1 -0.20 2.80
30 0 2 125.40 13.40
30 2 -10 1.10 2.10
-30 -2 10 -3.70 2.60
30 2 -9 -0.20 2.10
-30 -2 9 0.50 2.60
30 2 -8 5.20 3.80
-30 -2 8 5.70 1.70
30 2 -7 29.40 5.40
-30 -2 7 24.80 3.20
30 2 -6 6.40 3.20
-30 -2 6 7.40 1.70
30 2 -5 1.70 0.50
-30 -2 5 -0.10 1.40
30 2 -4 7.00 1.30
-30 -2 4 5.00 1.50
30 2 -3 14.70 2.00
-30 -2 3 17.10 2.60
30 2 -2 8.30 1.50
-30 -2 2 10.30 3.10
30 2 -1 1.90 1.20
-30 -2 1 3.50 2.50
30 2 0 7.70 1.80
-30 -2 0 8.30 3.00
30 2 1 0.70 1.60
30 2 2 2.10 1.70
30 2 3 -1.20 1.90
30 4 -7 7.80 2.30
-30 -4 7 9.80 2.50
30 4 -6 3.70 3.50
-30 -4 6 4.40 1.90
30 4 -5 -0.60 2.10
-30 -4 5 0.00 2.20
30 4 -4 10.80 3.80
-30 -4 4 10.10 2.70
30 4 -3 -5.10 3.80
-30 -4 3 3.20 3.20
30 4 -2 30.20 3.60
30 4 -1 12.10 2.30
30 4 0 25.90 4.30
31 1 -10 -3.30 4.20
-31 -1 10 6.70 4.50
31 1 -9 13.90 4.00
-31 -1 9 5.60 3.20
31 1 -8 28.50 5.00
-31 -1 8 32.30 5.30
31 1 -7 19.70 4.30
-31 -1 7 19.20 4.10
31 1 -6 5.20 2.80
-31 -1 6 5.50 1.60
31 1 -5 12.00 1.20
-31 -1 5 14.00 2.10
31 1 -4 19.00 1.90
-31 -1 4 12.40 1.90
31 1 -3 6.90 1.70
-31 -1 3 3.80 2.40
31 1 -2 38.30 3.50
-31 -1 2 40.20 4.20
31 1 -1 11.10 1.70
-31 -1 1 7.50 1.70
31 1 0 42.20 3.80
-31 -1 0 30.60 6.00
31 1 1 23.90 3.20
31 1 2 37.70 4.30
31 3 -8 -2.30 3.80
-31 -3 8 0.20 4.50
31 3 -7 2.30 2.40
-31 -3 7 8.00 3.60
31 3 -6 32.90 6.40
-31 -3 6 20.30 3.80
31 3 -5 11.50 4.40
-31 -3 5 6.80 2.30
31 3 -4 5.80 2.90
-31 -3 4 4.70 2.00
31 3 -3 4.20 1.50
-31 -3 3 3.10 1.90
31 3 -2 -0.20 1.40
31 3 -1 -1.60 1.50
31 3 0 12.90 2.50
32 0 -9 -2.50 2.80
32 0 -8 23.50 5.40
32 0 -7 1.50 3.40
32 0 -6 66.10 9.20
32 0 -5 -0.70 1.10
32 0 -4 0.50 1.20
32 0 -3 2.10 3.40
32 0 -2 3.90 2.70
32 0 -1 2.50 3.80
32 0 0 32.70 7.30
32 0 1 0.50 2.30
32 2 -8 2.40 2.70
-32 -2 8 0.60 2.70
32 2 -7 11.60 3.80
-32 -2 7 8.70 4.30
32 2 -6 13.00 3.70
-32 -2 6 8.70 3.60
32 2 -5 -6.80 3.30
-32 -2 5 2.30 1.80
32 2 -4 14.80 3.70
-32 -2 4 12.30 2.20
32 2 -3 60.50 5.60
-32 -2 3 51.10 5.30
32 2 -2 1.90 1.40
-32 -2 2 1.90 1.80
32 2 -1 13.10 3.00
32 2 0 4.50 1.70
33 1 -7 -3.70 2.60
-33 -1 7 -2.50 4.10
33 1 -6 0.50 3.60
-33 -1 6 3.00 4.20
33 1 -5 3.70 3.80
-33 -1 5 2.20 4.00
33 1 -4 0.40 2.20
-33 -1 4 -6.30 3.70
33 1 -3 3.30 1.90
-33 -1 3 1.00 3.90
33 1 -2 28.20 4.60
-33 -1 2 23.30 5.60
33 1 -1 -1.10 1.90
-33 -1 1 -4.30 3.80
loop_
_reflns_scale_group_code
_reflns_scale_meas_F
1 1.0