#------------------------------------------------------------------------------ #$Date: 2010-05-13 20:58:46 +0300 (Thu, 13 May 2010) $ #$Revision: 1167 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/7200000.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7200000 loop_ _publ_author_name 'Noh, Tae Hwan' 'Choi, Youn Jung' 'Ryu, Yoon Kyong' 'Lee, Young-A' 'Jung, Ok-Sang' _publ_section_title ; 2-Fold interpenetration via ligand-induced alternating perpendicular helical channel motifs. Structure of an acentric diamondoid silver(I) coordination polymer ; _journal_issue 11 _journal_name_full CrystEngComm _journal_page_first 2371 _journal_volume 11 _journal_year 2009 _space_group_IT_number 19 _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 19 _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90.000000 _cell_angle_beta 90.000000 _cell_angle_gamma 90.000000 _cell_length_a 13.574367 _cell_length_b 8.480407 _cell_length_c 10.545246 _cell_volume 1213.928 _[local]_cod_data_source_file 23HTP_enantiopure.cif _[local]_cod_data_source_block 23HTP_E_1 _[local]_cod_cif_authors_sg_H-M 'P 2_1 2_1 2_1' _cod_database_code 7200000 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x+1/2,-y,z+1/2 3 -x,y+1/2,-z+1/2 4 x+1/2,-y+1/2,-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C1 C 0.224984 0.329904 0.417318 C2 C 0.254037 0.156833 0.435677 C3 C 0.255791 0.087895 0.300328 N4 N 0.178559 0.185484 0.238632 C5 C 0.146516 0.326993 0.312078 O6 O 0.140088 0.145290 0.131381 C7 C 0.355926 0.111502 0.235400 C8 C 0.439813 0.046145 0.292352 H9 H 0.433883 -0.016164 0.382142 C10 C 0.531149 0.058877 0.233230 H11 H 0.595404 0.005371 0.277712 C12 C 0.541123 0.137273 0.117778 H13 H 0.612551 0.147793 0.071478 C14 C 0.457804 0.205189 0.061681 O15 O 0.461854 0.287093 -0.049383 C16 C 0.365477 0.191052 0.120305 H17 H 0.301845 0.242379 0.073236 C18 C 0.226479 -0.086343 0.295218 C19 C 0.148230 0.473231 0.227595 C20 C 0.042768 0.298573 0.365916 H21 H 0.195952 0.384057 0.503927 H22 H 0.289054 0.398882 0.386210 H23 H 0.325008 0.142300 0.483339 H24 H 0.198586 0.093732 0.491984 H25 H 0.531481 0.298108 -0.080903 H26 H 0.223472 -0.127448 0.196972 H27 H 0.281502 -0.156358 0.346176 H28 H 0.154521 -0.105092 0.339693 H29 H 0.221183 0.489335 0.184750 H30 H 0.093404 0.465009 0.151528 H31 H 0.130964 0.576872 0.285484 H32 H -0.009974 0.276285 0.289390 H33 H 0.041654 0.198132 0.431484 H34 H 0.019050 0.404303 0.417270