#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/74/2217408.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_2217408_Fobs
loop_
_publ_author_name
'Zhang, Xiao'
'Yi, ZhiHui'
'Xia, Wujiong'
'Yang, Chao'
'Li, Bing'
_publ_section_title
;
 Poly[[diaqua-\m~2~-4,4'-bipyridyl-\m~2~-<i>o</i>-phthalato-nickel(II)]
 dihydrate]
;
_journal_coeditor_code           BG2157
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m345
_journal_page_last               m346
_journal_volume                  64
_journal_year                    2008
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 123.630
_cell_angle_gamma                90.000
_cell_length_a                   7.6160
_cell_length_b                   11.3720
_cell_length_c                   12.9540
_exptl_crystal_F_000             456.00
_reflns_d_resolution_high        0.7702
_[local]_cod_data_source_file    bg2157Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 1234A in P2/n               New: P2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            180.87
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
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 0 0 4533.75 4568.63 35.35 o
2 0 0 32713.55 36728.82 505.25 o
3 0 0 7863.77 8497.68 82.16 o
4 0 0 3999.78 4289.28 38.45 o
5 0 0 388.41 368.90 4.00 o
6 0 0 5315.28 5346.50 67.31 o
7 0 0 62.33 70.31 3.08 o
1 1 0 333.20 339.33 2.39 o
2 1 0 5171.97 6206.46 44.69 o
3 1 0 1212.41 1314.86 6.89 o
4 1 0 2396.08 2704.94 17.38 o
5 1 0 93.41 93.50 1.68 o
6 1 0 1.54 3.12 1.13 o
7 1 0 77.56 74.34 4.39 o
8 1 0 1.29 0.61 2.65 o
0 2 0 2300.99 2332.24 22.77 o
1 2 0 1185.84 1068.17 15.44 o
2 2 0 944.26 836.95 11.01 o
3 2 0 3276.71 3418.59 22.92 o
4 2 0 780.03 775.65 5.39 o
5 2 0 693.14 671.81 5.15 o
6 2 0 706.12 695.03 6.34 o
7 2 0 164.01 158.58 4.59 o
8 2 0 142.67 147.02 5.32 o
0 3 0 9510.95 10612.72 146.95 o
1 3 0 56.75 34.27 0.71 o
2 3 0 750.30 641.25 6.01 o
3 3 0 1969.62 2059.04 14.97 o
4 3 0 31.45 20.79 0.88 o
5 3 0 145.24 144.58 1.99 o
6 3 0 392.20 374.22 5.94 o
7 3 0 1.54 3.02 2.15 o
8 3 0 49.33 49.37 5.76 o
0 4 0 1669.76 1465.18 15.00 o
1 4 0 2486.86 2403.98 17.86 o
2 4 0 2044.12 1959.46 18.20 o
3 4 0 498.99 503.53 8.53 o
4 4 0 1621.05 1712.99 18.03 o
5 4 0 226.87 223.30 4.08 o
6 4 0 349.00 358.47 5.36 o
7 4 0 192.71 189.30 7.91 o
0 5 0 10545.67 11692.56 171.62 o
1 5 0 4914.63 5054.39 43.94 o
2 5 0 3760.42 3786.82 28.18 o
3 5 0 2162.55 2284.14 19.43 o
4 5 0 1545.51 1553.01 26.95 o
5 5 0 496.00 494.49 5.75 o
6 5 0 914.36 903.15 10.47 o