#------------------------------------------------------------------------------ #$Date: 2010-05-13 20:58:46 +0300 (Thu, 13 May 2010) $ #$Revision: 1167 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/7200002.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_7200002 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 12.072243 _cell_length_b 10.016532 _cell_length_c 10.107587 _cell_volume 1222.230 _[local]_cod_data_source_file 23HTP_enantiopure.cif _[local]_cod_data_source_block 23HTP_E_3 _[local]_cod_cif_authors_sg_H-M 'P 2_1 2_1 2_1' _cod_database_code 7200002 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 0.124637 0.753217 0.474879 C2 C 0.158064 0.900597 0.479267 C3 C 0.202030 0.924155 0.620889 N4 N 0.241673 0.788240 0.656477 C5 C 0.211019 0.680723 0.560399 O6 O 0.280591 0.763623 0.772925 C7 C 0.108819 0.962061 0.717992 C8 C 0.295476 1.027033 0.622151 C9 C 0.270639 1.159185 0.586710 H10 H 0.186502 1.187600 0.560246 C11 C 0.354677 1.254319 0.580984 H12 H 0.335115 1.355990 0.551319 C13 C 0.463596 1.221450 0.612976 H14 H 0.528846 1.296528 0.611073 C15 C 0.488425 1.090255 0.650794 O16 O 0.592291 1.051577 0.687413 C17 C 0.404681 0.993207 0.652412 H18 H 0.426694 0.892379 0.681765 C19 C 0.314265 0.641741 0.480332 C20 C 0.163572 0.560428 0.633634 H21 H 0.042081 0.738528 0.518088 H22 H 0.122770 0.713509 0.374021 H23 H 0.223554 0.921074 0.407178 H24 H 0.089254 0.967878 0.455987 H25 H 0.137640 0.953060 0.820363 H26 H 0.082160 1.065020 0.699980 H27 H 0.037122 0.896000 0.705028 H28 H 0.641684 1.131524 0.699817 H29 H 0.380136 0.606579 0.546485 H30 H 0.292556 0.561259 0.411551 H31 H 0.345493 0.726540 0.422595 H32 H 0.227208 0.508226 0.690939 H33 H 0.097144 0.591416 0.700850 H34 H 0.129170 0.490766 0.560843