#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:43:47 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181282 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/60/2236064.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_2236064_Fobs loop_ _publ_author_name 'Tayamon, Shahedeh' 'Mazlan, Nurul Ain' 'Ravoof, Thahira Begum S. A.' 'Mohamed Tahir, Mohamed Ibrahim' 'Crouse, Karen A.' _publ_section_title ; 2-Cyclohexylidene-N-methylhydrazinecarbothioamide ; _journal_coeditor_code BG2476 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o3104 _journal_page_last o3105 _journal_volume 68 _journal_year 2012 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _audit_creation_date 12-05-11 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 102.132(3) _cell_angle_gamma 90 _cell_length_a 10.0538(3) _cell_length_b 11.0108(3) _cell_length_c 17.9484(5) _cod_data_source_file bg2476Isup2.hkl _cod_data_source_block I loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z -x,y+1/2,-z+1/2 x,-y+1/2,z+1/2 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma _refln_observed_status _refln_refinement_weight 1 0 0 41.94 0.00 2.47 l 0.0000E+00 2 0 0 6648.44 6435.19 40.33 o 0.7332E-05 3 0 0 6460.96 6072.63 36.73 o 0.8035E-05 4 0 0 990.48 996.77 17.23 o 0.2361E-03 5 0 0 7442.35 6710.81 57.40 o 0.6426E-05 6 0 0 4783.91 4648.17 73.71 o 0.1312E-04 7 0 0 84.71 72.83 11.84 o 0.4194E-02 8 0 0 232.50 241.40 20.22 o 0.1199E-02 9 0 0 429.43 400.81 19.78 o 0.7597E-03 10 0 0 1125.76 1054.12 30.41 o 0.1831E-03 11 0 0 123.15 107.91 9.25 o 0.4089E-02 12 0 0 55.75 72.00 6.82 o 0.7703E-02 1 1 0 1.92 0.00 1.01 l 0.0000E+00 2 1 0 2542.67 2309.21 16.41 o 0.5002E-04 3 1 0 9287.90 8633.30 26.56 o 0.4042E-05 4 1 0 921.17 899.35 10.64 o 0.2835E-03 5 1 0 733.29 659.63 14.92 o 0.4241E-03 6 1 0 37.12 41.00 4.42 o 0.1535E-01 7 1 0 558.83 572.19 20.27 o 0.5175E-03 8 1 0 115.71 132.73 10.35 o 0.3387E-02 9 1 0 11.01 12.04 4.45 o 0.3077E-01 10 1 0 1.60 0.62 3.78 o 0.4843E-01 11 1 0 37.68 31.08 4.77 o 0.1645E-01 12 1 0 170.85 163.85 11.80 o 0.2573E-02 0 2 0 9343.14 0.00 26.82 l 0.0000E+00 1 2 0 1196.44 1140.78 7.02 o 0.1867E-03 2 2 0 142.77 114.73 3.64 o 0.5350E-02 3 2 0 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0.4545E-02 1 1 20 210.97 199.88 8.54 o 0.2500E-02 2 1 20 1399.93 1194.94 23.13 o 0.1570E-03 -7 2 20 198.79 188.35 13.00 o 0.2143E-02 -6 2 20 174.85 173.88 7.34 o 0.3092E-02 -5 2 20 1208.31 1101.28 19.84 o 0.1903E-03 -4 2 20 215.93 184.69 9.37 o 0.2513E-02 -3 2 20 110.44 132.94 9.03 o 0.3826E-02 -2 2 20 6.54 8.39 3.55 o 0.4933E-01 -1 2 20 555.58 538.80 14.82 o 0.6283E-03 0 2 20 4.83 0.09 2.35 o 0.1389E+00 1 2 20 130.51 115.38 6.58 o 0.4794E-02 2 2 20 328.50 311.58 10.82 o 0.1363E-02 -6 3 20 1.32 0.42 2.52 o 0.1454E+00 -5 3 20 88.35 92.74 5.84 o 0.6481E-02 -4 3 20 223.29 232.59 9.11 o 0.2158E-02 -3 3 20 26.68 24.90 3.91 o 0.2335E-01 -2 3 20 561.52 522.38 18.08 o 0.5910E-03 -1 3 20 -0.02 1.25 11.32 o 0.1522E-04 0 3 20 51.09 55.44 6.08 o 0.9821E-02 1 3 20 82.29 83.03 6.38 o 0.6778E-02 -5 4 20 22.26 18.23 3.44 o 0.3038E-01 -4 4 20 246.35 224.62 8.75 o 0.2144E-02 -3 4 20 34.16 39.86 3.30 o 0.1865E-01 -2 4 20 339.80 332.10 8.91 o 0.1359E-02 -1 4 20 400.28 378.94 11.32 o 0.1059E-02 0 4 20 701.70 646.61 17.52 o 0.4468E-03 1 4 20 263.39 260.95 14.06 o 0.1497E-02 -4 5 20 189.18 184.92 6.11 o 0.3036E-02 -3 5 20 46.95 36.01 3.99 o 0.1610E-01 -2 5 20 23.79 25.83 2.39 o 0.3144E-01 -1 5 20 283.01 276.23 10.55 o 0.1642E-02 0 5 20 20.95 25.41 5.11 o 0.1956E-01 -5 1 21 7.44 6.16 2.83 o 0.6905E-01 -4 1 21 718.33 666.61 18.24 o 0.4296E-03 -3 1 21 26.76 32.08 3.56 o 0.2148E-01 -2 1 21 213.35 211.01 8.71 o 0.2381E-02 -1 1 21 286.28 270.99 9.63 o 0.1706E-02 0 1 21 100.63 96.04 4.70 o 0.6806E-02 1 1 21 38.90 35.22 6.16 o 0.1279E-01 -5 2 21 466.02 409.45 19.15 o 0.7585E-03 -4 2 21 3.71 13.57 2.89 o 0.5548E-01 -3 2 21 1.78 1.67 2.48 o 0.1284E+00 -2 2 21 309.12 314.13 12.57 o 0.1340E-02 -1 2 21 206.18 202.25 8.01 o 0.2608E-02 0 2 21 50.96 56.62 5.19 o 0.1077E-01 -4 3 21 162.10 148.43 11.91 o 0.2726E-02 -3 3 21 5.17 1.16 2.34 o 0.1257E+00 -2 3 21 207.14 196.61 9.45 o 0.2409E-02 -1 3 21 27.44 19.95 4.33 o 0.2294E-01 0 3 21 64.61 57.50 5.26 o 0.1008E-01 -2 4 21 14.41 30.93 4.70 o 0.1993E-01 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