#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/10/2011014.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_2011014_Fobs
loop_
_publ_author_name
'Chippindale, Ann M.'
'Cowley, Andrew R.'
'Peacock, Katherine J.'
_publ_section_title
;
 (4,4'-Bipyridine)dichloromanganese(II), a two-dimensional coordination
 polymer
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              651
_journal_page_last               652
_journal_volume                  56
_journal_year                    2000
_space_group_IT_number           50
_symmetry_space_group_name_Hall  '-P 2ab 2b'
_symmetry_space_group_name_H-M   'P b a n :2'
_[local]_cod_data_source_file    jz1389Isup2.hkl
_[local]_cod_data_source_block   I
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_meas
_refln_F_calc
_refln_F_sigma
2 0 0 80.57 77.86 1.39
4 0 0 119.21 123.88 1.40
6 0 0 61.20 62.89 0.90
8 0 0 95.60 95.17 0.73
10 0 0 55.36 55.00 1.63
12 0 0 49.97 49.08 0.57
14 0 0 38.86 40.26 0.92
1 1 0 63.98 60.95 1.33
3 1 0 95.38 96.12 0.89
5 1 0 130.68 131.12 0.84
7 1 0 58.11 58.31 0.61
9 1 0 51.09 50.35 0.33
11 1 0 64.85 67.14 0.42
13 1 0 30.90 29.48 0.34
0 2 0 135.98 134.91 3.45
2 2 0 6.57 10.12 0.26
4 2 0 36.57 38.44 0.40
6 2 0 15.23 17.34 0.23
8 2 0 16.94 16.56 0.21
10 2 0 15.77 15.67 0.27
12 2 0 11.31 10.80 0.29
14 2 0 12.79 11.89 0.30
1 3 0 18.66 12.81 0.58
3 3 0 50.36 42.40 0.58
5 3 0 6.40 7.61 0.22
7 3 0 3.15 1.13 0.46
9 3 0 6.69 6.74 0.31
11 3 0 1.34 0.99 1.04
13 3 0 15.99 16.07 0.32
0 4 0 29.54 25.57 0.66
2 4 0 17.27 19.39 0.35
4 4 0 2.97 4.32 0.40
6 4 0 13.58 15.17 0.18
8 4 0 47.74 46.52 0.31
10 4 0 11.44 11.95 0.27
12 4 0 4.42 4.59 0.49
1 5 0 58.95 59.15 0.55
3 5 0 12.91 5.89 0.19
5 5 0 47.40 46.20 0.32
7 5 0 41.24 41.85 0.31
9 5 0 49.95 49.90 0.26
11 5 0 13.14 12.70 0.28
13 5 0 4.12 5.25 0.56
0 6 0 73.25 72.51 0.76
2 6 0 102.56 102.73 0.87
4 6 0 76.30 76.30 0.59
6 6 0 80.00 80.14 0.49
8 6 0 6.99 7.66 0.31
10 6 0 67.41 66.71 0.32
12 6 0 36.88 37.87 0.41
1 7 0 88.68 88.11 0.68
3 7 0 51.78 54.38 0.42
5 7 0 88.31 88.58 0.57
7 7 0 68.65 68.79 0.49
9 7 0 72.53 72.14 0.32
11 7 0 47.84 47.21 0.36
0 8 0 76.65 77.04 0.71
2 8 0 50.04 49.98 0.45
4 8 0 46.91 47.13 0.26
6 8 0 45.10 44.31 0.29
8 8 0 22.65 22.96 0.24
10 8 0 36.09 36.90 0.35
12 8 0 21.69 22.69 0.35
1 9 0 2.66 1.40 0.53
3 9 0 8.04 8.71 0.24
5 9 0 24.34 26.55 0.22
7 9 0 4.06 4.03 0.55
9 9 0 5.72 5.16 0.47
11 9 0 20.68 19.84 0.32
0 10 0 38.85 38.19 0.30
2 10 0 24.79 24.58 0.28
4 10 0 9.27 8.98 0.29
6 10 0 19.25 21.07 0.36
8 10 0 2.70 2.63 0.80
10 10 0 15.77 15.91 0.32
1 11 0 13.42 13.46 0.23
3 11 0 2.37 3.17 0.68
5 11 0 17.09 18.00 0.27
7 11 0 4.94 4.33 0.47
9 11 0 5.81 5.92 0.45
0 12 0 63.64 63.09 0.47
2 12 0 14.77 15.02 0.26
4 12 0 29.90 29.91 0.33
6 12 0 13.37 12.79 0.29
8 12 0 24.99 25.94 0.31
1 13 0 43.09 42.61 0.37
3 13 0 37.86 37.25 0.26
5 13 0 51.18 52.16 0.41
7 13 0 39.39 40.82 0.67
0 14 0 45.50 45.61 0.58
2 14 0 45.29 43.49 0.54
4 14 0 44.54 45.29 0.36
0 0 1 111.48 121.65 4.60
2 0 1 66.76 59.40 0.89
4 0 1 11.12 7.62 0.32
6 0 1 35.33 31.85 0.74
8 0 1 3.42 2.72 0.44
10 0 1 14.97 15.56 0.21
12 0 1 11.34 11.86 0.31
14 0 1 10.16 9.92 0.31
1 1 1 30.12 23.60 0.26
2 1 1 15.95 15.97 0.30
3 1 1 2.77 4.84 0.22
4 1 1 4.31 4.56 0.17
5 1 1 49.46 48.95 0.40
6 1 1 9.24 8.41 0.14
7 1 1 3.54 3.82 0.23
8 1 1 1.38 1.29 0.65
9 1 1 4.63 5.41 0.24
10 1 1 5.25 5.69 0.27
11 1 1 22.78 23.93 0.17
12 1 1 1.05 1.58 1.14
13 1 1 4.54 4.64 0.35
14 1 1 3.94 1.29 0.41
0 2 1 137.76 145.58 1.35
1 2 1 45.83 43.65 0.51
2 2 1 50.20 51.12 0.34
3 2 1 3.89 3.91 0.18
4 2 1 65.94 66.62 0.49
5 2 1 5.64 5.30 0.17
6 2 1 42.33 43.80 0.30
7 2 1 19.33 18.51 0.17
8 2 1 35.43 35.35 0.20
9 2 1 12.30 12.33 0.16
10 2 1 35.67 35.16 0.19
11 2 1 1.22 1.35 0.90
12 2 1 27.46 26.85 0.19
13 2 1 0.95 0.31 1.42
1 3 1 104.68 107.71 0.58
2 3 1 22.16 20.15 0.23
3 3 1 70.13 73.22 0.46
4 3 1 2.53 1.38 0.28
5 3 1 101.91 103.33 0.43
6 3 1 10.29 10.10 0.16
7 3 1 78.06 77.64 0.43
8 3 1 2.57 2.31 0.39
9 3 1 74.60 73.52 0.28
10 3 1 10.70 11.10 0.18
11 3 1 57.97 57.84 0.25
12 3 1 2.65 3.26 0.55
13 3 1 33.83 34.07 0.29
0 4 1 90.07 91.79 0.63
1 4 1 19.02 17.51 0.21
2 4 1 106.51 107.33 0.60
3 4 1 5.22 5.05 0.14
4 4 1 87.39 88.15 0.43
5 4 1 1.58 1.60 0.44
6 4 1 82.33 83.15 0.32
7 4 1 11.53 11.68 0.15
8 4 1 22.93 22.85 0.15
9 4 1 11.66 11.70 0.16
10 4 1 64.96 64.56 0.21
11 4 1 1.22 1.59 0.98
12 4 1 42.29 42.27 0.27
13 4 1 3.95 1.25 0.37
1 5 1 56.61 56.55 0.35
2 5 1 1.82 1.14 0.39
3 5 1 4.28 7.18 0.19
4 5 1 4.75 4.56 0.17
5 5 1 49.49 49.00 0.23
6 5 1 1.30 0.67 0.61
7 5 1 42.57 42.45 0.19
8 5 1 0.71 1.02 1.20
9 5 1 48.53 48.74 0.26
10 5 1 2.30 2.56 0.46
11 5 1 18.41 18.21 0.18
12 5 1 1.45 1.08 0.79
13 5 1 7.63 8.37 0.24
0 6 1 7.25 4.23 0.18
1 6 1 10.38 9.86 0.16
2 6 1 17.78 17.47 0.14
3 6 1 0.71 0.48 1.13
4 6 1 3.36 3.78 0.22
5 6 1 1.14 0.10 0.70
6 6 1 12.63 13.01 0.14
7 6 1 5.11 5.82 0.22
8 6 1 42.17 41.12 0.20
9 6 1 5.05 4.67 0.28
10 6 1 13.90 14.24 0.18
11 6 1 1.26 0.02 1.23
12 6 1 4.48 4.50 0.35
1 7 1 7.95 6.96 0.16
2 7 1 10.58 10.11 0.13
3 7 1 33.41 29.67 0.21
4 7 1 3.78 3.45 0.24
5 7 1 4.91 5.90 0.21
6 7 1 5.70 5.75 0.23
7 7 1 4.27 3.97 0.28
8 7 1 0.32 1.59 3.16
9 7 1 5.74 6.05 0.25
10 7 1 8.94 8.86 0.23
11 7 1 5.93 6.90 0.29
12 7 1 4.09 2.55 0.37
0 8 1 38.23 38.49 0.28
1 8 1 15.56 15.22 0.14
2 8 1 14.35 14.29 0.13
3 8 1 2.68 2.80 0.30
4 8 1 13.33 13.75 0.15
5 8 1 1.05 1.44 0.91
6 8 1 13.14 12.99 0.18
7 8 1 12.71 13.13 0.17
8 8 1 3.81 3.98 0.34
9 8 1 13.32 13.35 0.19
10 8 1 12.41 12.52 0.23
11 8 1 3.63 1.55 0.40
1 9 1 37.53 37.77 0.18
2 9 1 8.01 8.18 0.17
3 9 1 43.20 42.77 0.19
4 9 1 2.77 2.27 0.40
5 9 1 58.81 59.29 0.21
6 9 1 3.75 4.20 0.32
7 9 1 36.56 35.75 0.18
8 9 1 2.28 2.28 0.66
9 9 1 34.41 34.37 0.19
10 9 1 7.91 7.26 0.28
11 9 1 41.34 42.38 0.43
0 10 1 104.05 102.92 0.53
1 10 1 6.15 6.37 0.20
2 10 1 48.46 48.13 0.23
3 10 1 1.34 1.74 0.63
4 10 1 59.05 58.24 0.21
5 10 1 2.21 2.51 0.52
6 10 1 44.25 43.16 0.18
7 10 1 4.72 5.25 0.36
8 10 1 54.96 54.91 0.20
9 10 1 4.34 4.15 0.40
10 10 1 35.43 36.69 0.24
1 11 1 34.67 34.52 0.19
2 11 1 2.86 2.07 0.47
3 11 1 45.31 45.16 0.23
4 11 1 0.95 1.17 1.63
5 11 1 57.55 58.11 0.26
6 11 1 2.41 1.66 0.58
7 11 1 36.14 35.48 0.21
8 11 1 2.45 0.10 0.63
9 11 1 31.26 31.45 0.23
0 12 1 46.18 46.25 0.31
1 12 1 8.25 8.03 0.26
2 12 1 6.46 5.98 0.26
3 12 1 1.92 0.00 0.68
4 12 1 18.91 18.61 0.19
5 12 1 0.77 0.15 2.65
6 12 1 5.89 4.85 0.31
7 12 1 6.77 6.70 0.26
1 13 1 9.08 9.88 0.23
2 13 1 7.02 7.34 0.26
3 13 1 13.71 13.93 0.22
4 13 1 2.72 0.64 0.61
5 13 1 4.76 2.79 0.41
6 13 1 5.81 5.09 0.35
0 14 1 4.75 2.61 0.52
1 14 1 10.06 10.42 0.26
2 14 1 4.22 5.45 0.40
3 14 1 4.16 2.06 0.40
0 0 2 139.50 140.88 1.09
2 0 2 73.71 75.48 0.54
4 0 2 83.22 84.43 0.39
6 0 2 63.63 64.25 0.32
8 0 2 58.95 58.44 0.47
10 0 2 51.60 50.98 0.32
12 0 2 42.61 42.90 0.44
1 1 2 56.60 57.96 0.53
2 1 2 15.78 14.57 0.14
3 1 2 54.00 55.24 0.24
4 1 2 1.90 1.51 0.26
5 1 2 79.36 79.44 0.32
6 1 2 10.08 9.53 0.13
7 1 2 50.59 50.45 0.23
8 1 2 2.45 2.23 0.41
9 1 2 48.53 48.15 0.21
10 1 2 8.19 8.36 0.21
11 1 2 49.72 49.68 0.22
12 1 2 2.81 3.14 0.46
13 1 2 24.18 24.15 0.57
0 2 2 65.78 64.11 0.85
1 2 2 40.95 39.80 0.28
2 2 2 16.04 17.56 0.19
3 2 2 4.45 4.43 0.12
4 2 2 24.99 26.01 0.15
5 2 2 4.99 5.45 0.16
6 2 2 14.38 15.21 0.12
7 2 2 24.53 23.34 0.16
8 2 2 4.76 4.43 0.22
9 2 2 19.92 19.62 0.15
10 2 2 15.09 15.08 0.16
11 2 2 1.14 1.55 1.05
12 2 2 9.44 8.60 0.25
1 3 2 13.89 11.58 0.11
2 3 2 23.24 21.44 0.18
3 3 2 27.91 24.46 0.15
4 3 2 2.59 2.23 0.21
5 3 2 10.27 11.17 0.12
6 3 2 12.98 12.96 0.14
7 3 2 4.70 3.76 0.20
8 3 2 3.07 3.43 0.26
9 3 2 3.41 2.95 0.29
10 3 2 15.41 15.90 0.16
11 3 2 2.85 1.50 0.47
12 3 2 4.91 5.13 0.30
0 4 2 13.07 13.25 0.23
1 4 2 22.89 21.63 0.19
2 4 2 2.39 1.60 0.25
3 4 2 5.25 5.41 0.14
4 4 2 1.95 1.49 0.28
5 4 2 2.92 2.72 0.22
6 4 2 1.45 1.04 0.41
7 4 2 16.93 16.71 0.17
8 4 2 28.28 27.71 0.15
9 4 2 15.64 15.55 0.15
10 4 2 4.56 4.13 0.30
11 4 2 2.88 2.73 0.45
12 4 2 5.92 6.09 0.27
1 5 2 31.44 32.20 0.29
2 5 2 2.79 2.17 0.14
3 5 2 8.11 10.02 0.12
4 5 2 2.35 2.62 0.28
5 5 2 37.97 37.72 0.19
6 5 2 1.05 0.16 0.81
7 5 2 28.33 28.44 0.20
8 5 2 1.90 0.63 0.71
9 5 2 32.56 32.28 0.19
10 5 2 3.91 3.74 0.37
11 5 2 18.62 18.56 0.21
12 5 2 3.45 0.69 0.42
0 6 2 69.41 69.30 0.37
1 6 2 11.23 11.40 0.12
2 6 2 67.80 66.70 0.26
3 6 2 1.34 0.07 0.45
4 6 2 59.33 59.05 0.29
5 6 2 -1.38 0.11 0.58
6 6 2 58.45 57.24 0.21
7 6 2 7.73 7.92 0.20
8 6 2 22.57 22.45 0.16
9 6 2 8.07 7.68 0.22
10 6 2 48.38 48.43 0.25
11 6 2 2.66 0.37 0.53
1 7 2 64.37 64.35 0.28
2 7 2 14.09 14.07 0.12
3 7 2 50.00 50.33 0.19
4 7 2 3.90 3.39 0.23
5 7 2 70.23 70.03 0.25
6 7 2 8.54 8.60 0.19
7 7 2 57.37 56.50 0.20
8 7 2 2.32 2.21 0.54
9 7 2 56.54 56.29 0.22
10 7 2 12.74 12.95 0.21
11 7 2 44.77 45.36 0.39
0 8 2 59.89 60.14 0.29
1 8 2 22.97 22.35 0.14
2 8 2 39.42 39.64 0.18
3 8 2 4.53 3.92 0.22
4 8 2 38.97 38.60 0.16
5 8 2 2.19 2.29 0.39
6 8 2 34.99 34.35 0.18
7 8 2 19.25 19.94 0.17
8 8 2 18.98 18.97 0.17
9 8 2 17.83 18.69 0.20
10 8 2 29.72 30.66 0.29
1 9 2 2.07 1.27 0.41
2 9 2 10.73 11.52 0.16
3 9 2 2.76 1.25 0.38
4 9 2 2.47 2.40 0.36
5 9 2 18.97 19.89 0.16
6 9 2 5.87 6.09 0.25
7 9 2 5.37 4.95 0.28
8 9 2 2.72 2.58 0.51
9 9 2 7.61 8.18 0.24
0 10 2 16.15 16.57 0.22
1 10 2 8.30 8.53 0.19
2 10 2 14.87 15.74 0.18
3 10 2 3.22 2.95 0.36
4 10 2 7.92 8.22 0.20
5 10 2 3.29 3.49 0.35
6 10 2 13.23 14.53 0.17
7 10 2 5.99 7.64 0.24
8 10 2 10.79 11.66 0.22
1 11 2 7.03 7.24 0.21
2 11 2 3.67 3.49 0.31
3 11 2 4.53 5.20 0.27
4 11 2 1.70 0.71 0.73
5 11 2 9.78 10.85 0.19
6 11 2 3.26 2.71 0.41
7 11 2 2.83 2.01 0.37
0 12 2 42.16 41.63 0.22
1 12 2 12.27 12.39 0.18
2 12 2 18.63 18.11 0.16
3 12 2 2.10 0.35 0.67
4 12 2 24.20 24.31 0.21
5 12 2 2.66 0.49 0.36
1 13 2 36.66 37.03 0.23
2 13 2 10.59 10.82 0.23
3 13 2 30.94 31.70 0.45
0 0 3 3.75 2.50 0.31
2 0 3 8.44 7.90 0.12
4 0 3 6.91 6.86 0.17
6 0 3 7.95 7.91 0.19
8 0 3 25.73 25.98 0.27
10 0 3 3.85 5.38 0.38
1 1 3 3.27 3.36 0.17
2 1 3 9.75 9.56 0.12
3 1 3 8.93 7.62 0.12
4 1 3 1.55 0.77 0.39
5 1 3 14.87 14.86 0.13
6 1 3 5.95 6.01 0.18
7 1 3 6.12 6.10 0.19
8 1 3 1.41 1.02 0.74
9 1 3 11.14 11.46 0.18
10 1 3 8.12 8.71 0.21
0 2 3 56.80 56.48 0.54
1 2 3 25.80 24.75 0.19
2 2 3 37.25 36.71 0.20
3 2 3 4.06 3.98 0.22
4 2 3 37.13 37.16 0.21
5 2 3 3.16 2.63 0.27
6 2 3 31.54 30.85 0.18
7 2 3 20.31 19.76 0.14
8 2 3 13.67 13.28 0.16
9 2 3 17.16 17.30 0.16
10 2 3 28.47 28.28 0.21
1 3 3 54.44 54.77 0.44
2 3 3 16.00 15.55 0.17
3 3 3 47.35 47.10 0.20
4 3 3 2.45 1.83 0.33
5 3 3 69.36 68.33 0.17
6 3 3 10.21 10.22 0.15
7 3 3 51.69 51.14 0.20
8 3 3 2.26 2.43 0.51
9 3 3 50.91 50.71 0.20
10 3 3 13.50 14.25 0.20
0 4 3 78.21 77.98 0.46
1 4 3 18.11 17.80 0.22
2 4 3 51.80 51.39 0.30
3 4 3 3.95 3.60 0.19
4 4 3 53.45 52.89 0.21
5 4 3 3.48 3.26 0.29
6 4 3 45.00 44.23 0.19
7 4 3 14.09 13.94 0.17
8 4 3 32.67 31.79 0.19
9 4 3 13.12 13.43 0.18
10 4 3 39.21 39.97 0.31
1 5 3 19.89 20.68 0.24
2 5 3 1.70 1.68 0.79
3 5 3 16.75 17.76 0.17
4 5 3 -1.45 0.53 0.55
5 5 3 35.34 35.56 0.21
6 5 3 1.55 1.52 0.48
7 5 3 22.27 22.65 0.18
8 5 3 1.79 1.19 0.56
9 5 3 23.09 22.95 0.19
0 6 3 17.44 16.74 0.28
1 6 3 8.19 8.39 0.26
2 6 3 5.54 4.41 0.32
3 6 3 1.05 0.03 0.48
4 6 3 1.79 1.53 0.53
5 6 3 -1.05 0.57 1.00
6 6 3 4.93 5.06 0.18
7 6 3 6.75 7.51 0.18
8 6 3 10.12 11.17 0.17
9 6 3 6.69 6.74 0.22
1 7 3 13.86 13.82 0.23
2 7 3 11.69 12.14 0.26
3 7 3 15.16 16.06 0.16
4 7 3 1.97 2.11 0.48
5 7 3 2.45 1.44 0.45
6 7 3 7.30 8.12 0.17
7 7 3 6.60 6.76 0.20
8 7 3 3.58 2.03 0.35
0 8 3 23.29 23.32 0.37
1 8 3 19.92 20.24 0.25
2 8 3 6.59 7.32 0.34
3 8 3 2.35 2.96 0.36
4 8 3 8.43 8.86 0.18
5 8 3 3.07 2.99 0.44
6 8 3 5.27 5.17 0.18
7 8 3 15.78 17.26 0.21
1 9 3 29.26 29.76 0.30
2 9 3 8.07 9.54 0.17
3 9 3 23.80 23.12 0.19
4 9 3 2.14 2.05 0.79
5 9 3 38.36 39.47 0.25
6 9 3 6.20 6.15 0.16
0 10 3 55.77 54.65 0.58
1 10 3 6.57 6.80 0.26
2 10 3 43.91 44.05 0.33
3 10 3 3.19 2.92 0.44
4 10 3 42.73 43.72 0.29
5 10 3 3.10 3.10 0.92
2 11 3 5.39 3.31 0.97
2 0 4 54.57 54.25 0.23
4 0 4 47.03 47.19 0.26
6 0 4 45.51 47.00 0.36
1 1 4 36.95 36.86 0.13
2 1 4 4.45 4.68 0.24
3 1 4 22.10 21.70 0.13
4 1 4 1.00 1.42 0.75
5 1 4 39.23 38.94 0.25
6 1 4 3.21 3.69 0.19
0 2 4 18.44 19.11 0.23
1 2 4 12.15 12.67 0.22
2 2 4 12.73 12.97 0.23
3 2 4 2.12 2.01 0.54
4 2 4 11.40 11.17 0.16
5 2 4 1.18 1.79 0.72
6 2 4 9.89 9.83 0.20
1 3 4 12.11 13.45 0.24
2 3 4 7.25 8.16 0.26
3 3 4 14.11 14.76 0.21
4 3 4 1.00 1.16 1.05
5 3 4 2.85 2.84 0.32
6 3 4 6.13 6.09 0.29
0 4 4 16.56 18.80 0.37
1 4 4 9.58 10.16 0.25
2 4 4 9.24 10.16 0.24
3 4 4 2.39 2.31 0.59
4 4 4 4.84 4.83 0.35
5 4 4 1.58 1.84 0.54
1 5 4 7.36 6.38 0.39
2 5 4 2.07 0.97 0.82
3 5 4 12.98 13.41 0.26
4 5 4 2.02 0.93 0.64
5 5 4 25.44 26.17 0.30
0 6 4 60.97 60.98 0.60
1 6 4 5.18 4.64 0.42
2 6 4 29.94 29.56 0.27
3 6 4 4.12 0.40 0.49
4 6 4 35.31 35.02 0.60
1 7 4 34.24 33.62 0.30