#------------------------------------------------------------------------------ #$Date: 2012-02-26 23:34:47 +0200 (Sun, 26 Feb 2012) $ #$Revision: 35909 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/20/00/7200001.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_7200001 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 8.307262 _cell_length_b 16.961775 _cell_length_c 8.725088 _cell_volume 1229.416 _[local]_cod_data_source_file 23HTP_enantiopure.cif _[local]_cod_data_source_block 23HTP_E_2 _[local]_cod_cif_authors_sg_H-M 'P 2_1 2_1 2_1' _cod_database_code 7200001 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 0.300290 0.985307 0.628580 C2 C 0.338215 0.900727 0.578333 C3 C 0.497086 0.881732 0.661758 N4 N 0.575893 0.960415 0.655028 C5 C 0.463889 1.028021 0.628270 O6 O 0.730308 0.967710 0.662536 C7 C 0.467691 0.857502 0.829230 C8 C 0.364526 0.794207 0.860938 H9 H 0.302694 0.763337 0.768706 C10 C 0.340310 0.770074 1.012050 H11 H 0.258464 0.721461 1.035855 C12 C 0.418685 0.807448 1.132760 H13 H 0.401304 0.788384 1.250748 C14 C 0.521678 0.870889 1.102219 O15 O 0.595754 0.906219 1.222848 C16 C 0.544844 0.895990 0.950400 H17 H 0.624552 0.945638 0.928578 C18 C 0.601799 0.820219 0.580842 C19 C 0.480551 1.089016 0.756525 C20 C 0.501085 1.065087 0.471910 H21 H 0.213968 1.014973 0.553304 H22 H 0.249508 0.985214 0.744694 H23 H 0.242073 0.859238 0.607616 H24 H 0.358906 0.897811 0.454182 H25 H 0.667783 0.950850 1.189710 H26 H 0.717735 0.814446 0.639702 H27 H 0.540686 0.762934 0.583442 H28 H 0.623108 0.837715 0.461636 H29 H 0.456293 1.062587 0.868840 H30 H 0.601614 1.114679 0.758190 H31 H 0.393953 1.136712 0.736593 H32 H 0.623673 1.088678 0.469047 H33 H 0.489997 1.021699 0.379509 H34 H 0.417273 1.113867 0.451046