#------------------------------------------------------------------------------ #$Date: 2016-04-02 23:02:21 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180908 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/49/2104956.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_2104956_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 09-05-25 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 109.939(8) _cell_angle_gamma 90 _cell_length_a 9.8354(13) _cell_length_b 7.4567(19) _cell_length_c 11.3543(12) _oxford_structure_analysis_title 'bian04 in P2(1)/n' _cod_data_source_file gw50123.3GPasup5.hkl _cod_data_source_block 3.3GPa 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 11495.19 13267.94 122.40 o 4 0 0 10475.21 9499.06 295.79 o 6 0 0 1042.42 1092.08 458.99 o 1 1 0 48275.73 75145.02 1631.97 x 3 1 0 21960.21 23078.60 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