#------------------------------------------------------------------------------
#$Date: 2010-03-05 20:15:21 +0200 (Fri, 05 Mar 2010) $
#$Revision: 1024 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2224954.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_2224954_Fobs
loop_
_publ_author_name
'H\"ubner, Alexander'
'Lerner, Hans-Wolfram'
'Wagner, Matthias'
'Bolte, Michael'
_publ_section_title
;
 9-Bromo-9-borafluorene
;
_journal_coeditor_code           FK2010
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o444
_journal_volume                  66
_journal_year                    2010
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   34.9390
_cell_length_b                   85.4820
_cell_length_c                   3.9672
_exptl_crystal_F_000             5760.00
_reflns_d_resolution_high        0.8385
_[local]_cod_data_source_file    fk2010Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' wa969 in Fdd2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1803.98
_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'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'
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
0 0 -4 29821.16 28597.74 7273.25 o
4 0 -4 9252.11 7264.35 5023.81 o
8 0 -4 16605.23 15044.73 5382.65 o
12 0 -4 36366.54 35701.21 4856.48 o
16 0 -4 4820.15 11170.26 5617.75 o
20 0 -4 43851.51 45006.75 6118.01 o
2 2 -4 6297.98 10843.96 2861.78 o
4 2 -4 37897.55 32779.31 4415.13 o
6 2 -4 12662.75 9413.04 4224.54 o
8 2 -4 1109.13 3625.15 3975.89 o
10 2 -4 1171.10 4225.74 4259.84 o
12 2 -4 26202.22 26410.42 3705.75 o
14 2 -4 3194.25 4851.34 3404.10 o
16 2 -4 4389.91 5274.69 3958.34 o
18 2 -4 4692.68 3885.43 4135.18 o
20 2 -4 3711.71 2874.70 3182.65 o
0 4 -4 83743.57 74893.39 5548.80 o
2 4 -4 10917.04 11007.40 3518.91 o
4 4 -4 10320.65 7816.78 4089.06 o
6 4 -4 2829.75 9439.08 8422.44 o
8 4 -4 25412.32 23231.27 5359.86 o
10 4 -4 10006.62 5491.34 5423.17 o
12 4 -4 9627.35 9794.31 3701.81 o
14 4 -4 3511.42 2358.21 3442.55 o
16 4 -4 5554.90 5334.46 3134.44 o
18 4 -4 5118.58 4665.43 3705.14 o
20 4 -4 5975.60 8207.55 3950.06 o
2 6 -4 10334.88 12822.06 3969.39 o
4 6 -4 12012.05 13749.25 4133.03 o
6 6 -4 37641.71 30430.35 9608.70 o
8 6 -4 2715.42 543.90 4821.25 o
10 6 -4 15449.18 12391.76 4585.82 o
12 6 -4 3887.31 5183.93 3300.20 o
14 6 -4 28805.90 25643.78 3078.53 o
16 6 -4 11470.04 9723.69 3330.00 o
18 6 -4 17098.96 17408.88 3871.60 o
20 6 -4 2917.34 7330.66 3272.84 o
0 8 -4 18791.73 17035.63 4848.83 o
2 8 -4 18400.87 11607.87 3630.62 o
4 8 -4 62.57 -309.84 4068.85 o
6 8 -4 23152.32 21839.23 3386.94 o
8 8 -4 8723.18 6679.55 3688.08 o
10 8 -4 26280.28 25869.14 4369.86 o
12 8 -4 5695.41 2042.87 3232.35 o
14 8 -4 14979.85 16934.34 3944.89 o
16 8 -4 1237.68 2080.03 3166.57 o
18 8 -4 17829.67 16250.87 3808.16 o
20 8 -4 1219.68 3495.87 3954.27 o
2 10 -4 26528.09 17084.89 3886.19 o
4 10 -4 4530.35 6907.03 3236.76 o
6 10 -4 22549.40 19977.34 3194.27 o
8 10 -4 612.15 2615.69 4287.86 o
10 10 -4 16465.52 12692.30 4081.02 o
12 10 -4 5077.45 4586.64 3153.77 o
14 10 -4 19206.51 16595.20 3285.37 o
16 10 -4 2427.79 3505.95 3804.03 o
18 10 -4 2128.55 2689.31 3608.97 o
20 10 -4 2675.13 2595.59 3624.06 o
0 12 -4 8498.34 12001.98 4854.77 o
2 12 -4 19320.36 20401.53 4178.16 o
4 12 -4 5474.54 3065.02 3269.96 o
6 12 -4 10804.75 8063.14 3635.50 o
8 12 -4 10696.22 11372.76 3636.90 o
10 12 -4 32557.42 31384.28 4526.13 o
12 12 -4 7524.28 5956.01 4126.39 o
14 12 -4 13030.16 15518.53 3130.54 o
16 12 -4 6613.34 6642.01 2864.54 o
18 12 -4 20232.62 18519.07 3478.36 o
20 12 -4 13905.30 13064.32 3595.63 o
2 14 -4 19741.26 21287.09 4308.72 o
4 14 -4 36776.09 31975.78 3837.42 o
6 14 -4 24900.41 27954.22 3851.20 o
8 14 -4 2765.12 5110.15 3630.40 o
10 14 -4 5479.45 9533.09 5163.99 o
12 14 -4 18438.18 14885.54 3748.56 o
14 14 -4 15145.14 15308.33 3552.90 o
16 14 -4 1460.92 5371.44 3814.56 o
18 14 -4 365.31 2832.26 3319.44 o
20 14 -4 10640.71 10649.93 3393.90 o
0 16 -4 65177.93 47324.33 7793.72 o
2 16 -4 1817.98 8966.77 5115.34 o
4 16 -4 2245.75 3373.84 3581.28 o
6 16 -4 5015.58 3451.86 3937.14 o
8 16 -4 47020.68 42647.69 3583.09 o
10 16 -4 4454.59 9511.25 3617.18 o
12 16 -4 4438.85 7019.61 3494.39 o
14 16 -4 6815.77 5148.13 3163.32 o
16 16 -4 12204.56 15776.08 2882.54 o
18 16 -4 4879.25 7210.83 3472.56 o
20 16 -4 3810.90 7738.79 3980.86 o
2 18 -4 2362.31 6563.01 4080.09 o
4 18 -4 38067.03 35967.92 3996.01 o
6 18 -4 1051.13 4140.34 3302.73 o
8 18 -4 12735.66 11357.74 3277.65 o
10 18 -4 6932.50 7239.14 3198.77 o
12 18 -4 7978.43 11955.00 3754.62 o
14 18 -4 11195.31 11112.73 3627.91 o
16 18 -4 51905.55 53627.92 4390.04 o
18 18 -4 1392.70 -206.92 2988.13 o
20 18 -4 171.32 2813.09 3014.24 o
0 20 -4 56376.58 51803.94 7787.79 o
2 20 -4 6202.54 7650.56 4181.07 o
4 20 -4 1242.27 4663.13 3631.26 o
6 20 -4 3571.86 3079.87 3496.04 o
8 20 -4 43308.66 35979.63 7066.73 o
10 20 -4 10881.24 8955.12 4084.72 o
12 20 -4 2800.54 2225.46 3334.75 o
14 20 -4 4607.94 4944.35 3474.34 o
16 20 -4 10427.56 15043.79 3252.75 o
18 20 -4 9875.64 13723.36 3941.67 o
20 20 -4 349.67 17.65 3998.82 o
2 22 -4 10886.20 17902.84 4181.48 o
4 22 -4 41681.61 38252.61 5425.06 o
6 22 -4 16626.89 13470.43 3335.79 o
8 22 -4 18459.44 12581.01 4284.69 o
10 22 -4 5216.55 3031.81 4101.63 o
12 22 -4 10090.00 8200.76 3351.91 o
14 22 -4 9192.89 6248.70 2932.33 o
16 22 -4 25479.82 22655.07 3555.55 o
18 22 -4 1378.72 4216.48 3386.57 o
0 24 -4 10209.50 9675.42 6874.37 o
2 24 -4 24446.92 19094.15 4403.28 o
4 24 -4 1968.16 2574.09 3375.20 o
6 24 -4 4920.83 7279.91 4070.51 o
8 24 -4 4131.77 2084.87 3986.60 o
10 24 -4 33490.88 31068.79 4405.70 o
12 24 -4 10540.14 8682.74 2912.05 o
14 24 -4 17356.57 14208.00 3138.52 o
16 24 -4 5434.89 5818.50 2773.27 o
18 24 -4 16285.27 14954.09 4064.64 o
2 26 -4 22835.74 19349.88 7729.96 o
4 26 -4 13121.58 13822.85 5375.72 o
6 26 -4 33236.84 36632.03 3974.55 o
8 26 -4 1927.81 3213.85 3596.48 o
10 26 -4 9968.52 7526.24 3661.05 o
12 26 -4 4153.65 4229.13 3044.58 o
14 26 -4 14530.21 13414.83 3784.01 o
16 26 -4 791.14 2836.91 2866.55 o
18 26 -4 13831.78 11074.59 3268.77 o
0 28 -4 11815.63 -409.26 7590.58 o
2 28 -4 24129.55 19640.37 4498.80 o
4 28 -4 1101.27 -589.75 9349.95 o
6 28 -4 17058.66 11956.23 3730.39 o
8 28 -4 2981.52 3561.97 4129.42 o
10 28 -4 15388.18 13123.82 3452.46 o
12 28 -4 1907.00 1733.96 3111.98 o
14 28 -4 4619.83 4565.59 3414.94 o
16 28 -4 2671.06 5068.10 2730.83 o
18 28 -4 7880.24 6567.04 2864.58 o
2 30 -4 6727.43 3674.27 4730.21 o
4 30 -4 4710.97 946.49 4265.43 o
6 30 -4 21183.79 17743.10 4363.24 o
8 30 -4 19434.80 13871.12 3840.60 o
10 30 -4 3815.78 4284.96 3839.47 o
12 30 -4 15083.88 11614.04 4048.51 o
14 30 -4 24712.45 25469.03 3626.48 o
16 30 -4 9090.76 6975.92 2894.70 o
18 30 -4 8313.47 9729.26 4573.24 o
0 32 -4 9953.93 10267.07 7528.30 o
2 32 -4 9733.22 11281.23 4126.69 o
4 32 -4 432.29 -517.05 4206.77 o
6 32 -4 17419.04 18578.67 4201.33 o
8 32 -4 5246.55 4596.17 3693.19 o
10 32 -4 5981.36 5633.33 3461.24 o
12 32 -4 1602.81 -2461.69 3181.59 o
14 32 -4 5702.91 7930.04 3278.75 o
16 32 -4 6127.87 6716.66 3196.89 o
2 34 -4 3694.86 -254.12 5762.25 o
4 34 -4 27114.58 20529.31 4249.78 o
6 34 -4 1809.53 3791.57 3763.66 o
8 34 -4 1828.30 1064.23 3701.02 o
10 34 -4 8673.07 9747.36 3763.80 o
12 34 -4 20022.39 16794.52 3300.66 o
14 34 -4 2054.54 3214.72 3392.99 o
16 34 -4 2605.27 457.48 3522.83 o
0 36 -4 37414.30 28068.37 7698.82 o
2 36 -4 5610.79 5755.17 5169.07 o
4 36 -4 1457.31 2047.20 4039.25 o
6 36 -4 11340.88 6438.77 5143.49 o
8 36 -4 26276.37 18701.79 3998.81 o
10 36 -4 5074.21 3994.82 2982.27 o
12 36 -4 19622.12 11329.78 3964.61 o
14 36 -4 3192.62 4076.50 3418.30 o
16 36 -4 3343.29 8475.82 5846.77 o
2 38 -4 1099.94 -1419.35 5204.51 o
4 38 -4 39642.25 26871.41 4459.09 o
6 38 -4 414.99 1195.09 5161.23 o
8 38 -4 2832.72 3743.89 3820.50 o
10 38 -4 729.99 3485.08 3800.82 o
12 38 -4 19799.10 17884.76 4088.36 o
14 38 -4 3637.66 3710.67 3257.88 o
0 40 -4 27558.28 18041.52 7345.91 o
2 40 -4 7712.29 6987.39 5321.84 o
4 40 -4 993.14 -1234.36 4254.49 o
6 40 -4 4204.32 4082.97 5006.75 o
8 40 -4 22729.23 21035.70 3897.49 o
10 40 -4 11563.76 6009.41 3600.11 o
12 40 -4 11022.87 10850.17 3525.35 o
14 40 -4 3695.71 5166.35 3825.69 o
2 42 -4 21152.20 10730.96 5480.45 o
4 42 -4 11736.89 5931.72 4275.49 o
6 42 -4 20485.08 16644.14 3965.54 o
8 42 -4 7556.67 5087.92 3753.90 o
10 42 -4 1014.88 4851.16 4378.08 o
12 42 -4 3251.01 4451.60 3330.88 o
0 44 -4 16016.45 16622.46 7556.47 o
2 44 -4 34060.86 13536.64 5612.25 o
4 44 -4 989.39 909.49 3866.08 o
6 44 -4 20153.65 16367.29 3980.17 o
8 44 -4 9277.24 13624.02 4307.91 o
10 44 -4 21510.20 13006.25 4491.07 o
12 44 -4 1533.63 2025.69 3823.37 o
2 46 -4 31876.64 23245.64 6098.11 o
4 46 -4 9567.57 7768.12 4062.78 o
6 46 -4 34855.92 23412.55 4068.73 o
8 46 -4 2672.22 58.98 3764.65 o
10 46 -4 8413.71 3318.32 3697.65 o
0 48 -4 41743.61 12351.92 7870.83 o
2 48 -4 6460.03 3958.13 5383.56 o
4 48 -4 13389.18 12192.80 8854.68 o
6 48 -4 8634.95 6908.39 4300.90 o
8 48 -4 4686.30 3009.29 3694.98 o
2 50 -4 12261.59 4696.51 4076.72 o
4 50 -4 21978.65 12221.23 4623.32 o
6 50 -4 10559.54 13239.16 5286.56 o
8 50 -4 1335.91 -3214.76 7193.18 o
0 52 -4 24165.65 14236.59 7686.96 o
2 52 -4 15216.20 8710.50 4340.42 o
4 52 -4 197.26 -2839.10 5533.90 o
1 1 -3 35650.18 39299.29 5771.15 o
3 1 -3 101800.34 104461.36 5966.15 o
5 1 -3 65684.08 71813.70 7527.77 o
7 1 -3 32501.09 39959.94 4288.89 o
9 1 -3 22459.89 23551.66 3821.24 o
11 1 -3 99831.84 97746.03 5088.28 o
13 1 -3 63782.43 66477.49 3705.11 o
15 1 -3 11067.32 11799.60 3213.02 o
17 1 -3 6283.66 8532.95 3204.32 o
19 1 -3 43511.71 46830.92 3830.42 o
21 1 -3 39183.83 38793.42 3886.61 o
23 1 -3 502.52 4871.36 3022.31 o
25 1 -3 4861.12 3610.82 3418.48 o
27 1 -3 27019.62 25534.14 4017.39 o
29 1 -3 6171.63 7027.00 3496.52 o
31 1 -3 114.55 5359.47 4451.34 o
1 3 -3 32193.71 51035.84 7762.58 o
3 3 -3 6557.11 9477.13 4255.58 o
5 3 -3 7303.23 8369.43 4299.59 o
7 3 -3 12209.15 10808.50 3738.78 o
9 3 -3 42259.02 41158.91 3878.55 o
11 3 -3 22870.16 26990.85 3735.64 o
13 3 -3 32683.17 35189.60 3003.11 o
15 3 -3 12474.83 13833.78 3261.65 o
17 3 -3 27246.62 25356.84 2966.85 o
19 3 -3 23039.48 24787.95 3317.09 o
21 3 -3 13426.51 11734.34 3183.14 o
23 3 -3 4604.41 4220.42 3904.16 o
25 3 -3 18100.86 17739.51 3629.44 o
27 3 -3 7176.03 8684.96 3319.97 o
29 3 -3 1283.63 3395.35 3804.36 o
31 3 -3 2505.34 -1137.87 5010.86 o
1 5 -3 45058.17 46569.57 7743.31 o
3 5 -3 44276.82 47484.33 5883.84 o
5 5 -3 85047.12 93689.42 4958.39 o
7 5 -3 104598.62 106643.67 4724.57 o
9 5 -3 10310.73 11587.21 3018.27 o
11 5 -3 23950.63 25488.67 3736.01 o
13 5 -3 62393.76 69855.58 4038.81 o
15 5 -3 78025.50 90483.69 4006.80 o
17 5 -3 1509.63 5032.10 3258.10 o
19 5 -3 38499.15 41478.97 3274.15 o
21 5 -3 26468.57 30649.73 3722.02 o
23 5 -3 16385.42 14121.61 3960.43 o
25 5 -3 13601.24 15088.35 3647.34 o
27 5 -3 20883.94 25980.07 3372.73 o
29 5 -3 7226.42 10652.88 3493.59 o
31 5 -3 2651.63 7233.84 4772.61 o
1 7 -3 4257.25 477.57 5064.14 o
3 7 -3 38151.86 38175.30 7672.13 o
5 7 -3 44091.00 48278.76 4154.10 o
7 7 -3 6431.20 5814.32 3263.12 o
9 7 -3 21528.41 22134.18 3709.01 o
11 7 -3 36154.37 40053.31 3293.17 o
13 7 -3 16282.54 14177.27 3708.54 o
15 7 -3 13909.09 16118.55 3320.54 o
17 7 -3 18191.14 20471.38 3304.64 o
19 7 -3 26841.43 25956.94 3906.39 o
21 7 -3 15080.56 17729.30 3905.06 o
23 7 -3 4058.38 4698.13 3115.38 o
25 7 -3 17351.04 20010.38 3978.98 o
27 7 -3 22105.58 19724.43 4292.10 o
29 7 -3 4909.08 9307.09 3548.93 o
31 7 -3 483.55 1494.39 4349.12 o
1 9 -3 14239.09 19725.81 4134.64 o
3 9 -3 19202.71 27801.47 7525.33 o
5 9 -3 7288.29 9648.07 3410.99 o
7 9 -3 16875.72 16924.44 3755.27 o
9 9 -3 6957.07 6481.64 3319.18 o
11 9 -3 20880.73 18568.47 3108.89 o
13 9 -3 2390.38 5348.30 3115.10 o
15 9 -3 23484.87 24021.94 3306.86 o
17 9 -3 2593.00 3190.37 3008.42 o
19 9 -3 8883.02 7094.20 3094.74 o
21 9 -3 8315.61 10329.70 3847.78 o
23 9 -3 22765.31 26383.55 3638.02 o
25 9 -3 3057.71 5063.97 3263.45 o
27 9 -3 5132.21 6576.45 3242.48 o
29 9 -3 994.89 -2026.16 3496.00 o
31 9 -3 7108.31 4908.47 5613.13 o
1 11 -3 56067.54 46167.66 4489.10 o
3 11 -3 5793.47 3688.07 3963.58 o
5 11 -3 14930.57 18281.08 3472.82 o
7 11 -3 71346.20 77106.54 3756.75 o
9 11 -3 31382.68 31035.45 3389.72 o
11 11 -3 1054.16 -1200.88 2778.58 o
13 11 -3 11585.23 11400.16 2986.76 o
15 11 -3 32248.56 35833.34 3418.44 o
17 11 -3 34829.86 37021.25 3815.48 o
19 11 -3 15042.73 15939.39 3415.07 o
21 11 -3 31469.66 34963.64 3776.00 o
23 11 -3 4754.67 6216.29 3389.71 o
25 11 -3 1026.67 1908.55 3749.12 o
27 11 -3 13426.56 15230.26 3189.18 o
29 11 -3 7581.07 6091.01 3634.85 o
31 11 -3 13859.14 14343.36 4728.65 o
1 13 -3 45155.80 51455.30 5462.97 o
3 13 -3 67171.26 80040.66 5822.62 o
5 13 -3 10276.36 8667.46 3507.49 o
7 13 -3 23581.02 23547.31 3794.11 o
9 13 -3 62994.20 68085.83 3925.26 o
11 13 -3 37422.31 41145.98 3235.90 o
13 13 -3 3005.68 5607.51 3227.25 o
15 13 -3 7111.00 9286.33 2954.20 o
17 13 -3 39231.45 40345.54 3571.71 o
19 13 -3 25256.60 27803.18 3060.61 o
21 13 -3 9717.15 11196.42 3194.31 o
23 13 -3 21118.29 25432.31 3736.91 o
25 13 -3 11029.59 13582.80 3484.81 o
27 13 -3 1384.91 1657.42 3097.02 o
29 13 -3 14586.54 14606.51 3418.84 o
31 13 -3 7210.66 2890.31 4559.17 o
1 15 -3 13389.58 18642.81 4900.86 o
3 15 -3 51186.02 54437.21 4809.95 o
5 15 -3 70847.51 90100.95 10276.71 o
7 15 -3 9095.91 8247.33 3320.12 o
9 15 -3 4874.77 2146.62 3715.71 o
11 15 -3 6254.19 6867.13 3269.41 o
13 15 -3 23955.20 21740.25 3694.96 o
15 15 -3 6745.35 5439.64 3586.13 o
17 15 -3 4559.08 5757.18 2946.02 o
19 15 -3 640.76 2887.32 3285.15 o
21 15 -3 4373.17 7238.25 3402.37 o
23 15 -3 3120.45 4458.53 3401.63 o
25 15 -3 21789.93 20806.76 3135.75 o
27 15 -3 3150.91 3478.93 3201.71 o
29 15 -3 2235.16 5234.56 3924.77 o
31 15 -3 1699.49 2352.31 4568.11 o
1 17 -3 93876.19 106926.82 4721.50 o
3 17 -3 54518.82 56171.32 4622.90 o
5 17 -3 28616.34 31342.39 4040.98 o
7 17 -3 81872.88 80049.44 3870.25 o
9 17 -3 59235.05 67134.06 3681.92 o
11 17 -3 21718.34 20990.53 3356.06 o
13 17 -3 9891.80 10052.26 3583.94 o
15 17 -3 46785.37 43619.73 3515.30 o
17 17 -3 20496.10 23259.63 3363.22 o
19 17 -3 9848.11 12083.03 3811.53 o
21 17 -3 6663.17 9895.99 3107.27 o
23 17 -3 23662.19 24479.11 3593.54 o
25 17 -3 5455.64 9879.45 3490.55 o
27 17 -3 2036.65 4188.87 3998.79 o
29 17 -3 1469.24 4184.01 4049.34 o
31 17 -3 6705.14 4882.78 5752.24 o
1 19 -3 44067.27 47215.91 4113.53 o
3 19 -3 5415.81 12318.74 4121.71 o
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