#------------------------------------------------------------------------------ #$Date: 2016-04-02 23:02:21 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180908 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/49/2104958.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_2104958_Fobs loop_ _publ_author_name 'Johnstone, Russell D. L.' 'Allan, David' 'Lennie, Alistair' 'Pidcock, Elna' 'Valiente, Rafael' 'Rodr\'iguez, Fernando' 'Gonzalez, Jes\'us' 'Warren, John' 'Parsons, Simon' _publ_contact_author_email r.d.l.johnstone@sms.ed.ac.uk _publ_contact_author_name 'Russell D. L. Johnstone ' _publ_section_title ; The effect of pressure on the crystal structure of bianthrone ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 226 _journal_page_last 237 _journal_volume 67 _journal_year 2011 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _audit_creation_date 09-05-26 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 110.132(6) _cell_angle_gamma 90 _cell_length_a 9.7527(9) _cell_length_b 7.2058(15) _cell_length_c 11.2786(9) _oxford_structure_analysis_title 'bian06 in P2(1)/n' _cod_data_source_file gw50125.1GPasup7.hkl _cod_data_source_block 5.1GPa 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 2 0 0 19165.33 20422.95 273.94 o 4 0 0 29490.80 23995.30 442.52 o 6 0 0 459.38 515.11 168.58 o 8 0 0 2333.77 1628.30 547.88 o 10 0 0 2550.81 2218.49 421.45 o 3 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