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[求助]
求ZIF90卡片 已有1人参与
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copy the following text into notepad and save it as ZIF-90.cif You can view the structure and generate diffraction pattern via VESTA ~~~~~~~~~ZIF-90.cif~~~~~~~~~~~~~ data_ZIF-90 _audit_creation_method RASPA-1.0 _audit_creation_date 2011-8-29 _audit_author_name 'David Dubbeldam' _citation_author_name 'W. Morris, C.J. Doonan, H. Furukawa, R. Banerjee, and O.M. Yaghi' _citation_title 'Crystals as molecules: Postsynthesis covalent functionalization of zeolitic imidazolate frameworks' _citation_journal_abbrev 'J. Am. Chem. Soc.' _citation_journal_volume 130 _citation_journal_number 38 _citation_page_first 12626 _citation_page_last 12627 _citation_year 2008 _cell_length_a 17.2715 _cell_length_b 17.2715 _cell_length_c 17.2715 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 5152.17 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall 'P 1' _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 _symmetry_equiv_pos_as_xyz 'x,y,z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_charge N1 N 0.9143 0.4677 0.1845 0 H2 H 0.93 0.59 0.105 0 O1 O 0.8856 0.6129 0.0514 0 C2 C 0.8603 0.4063 0.1898 0 H1 H 0.8627 0.368 0.2292 0 N1 N 0.4143 0.9677 0.6845 0 C2 C 0.3603 0.9063 0.6898 0 H1 H 0.3627 0.868 0.7292 0 N1 N 0.0857 0.5323 0.1845 0 H2 H 0.07 0.41 0.105 0 O1 O 0.1144 0.3871 0.0514 0 C2 C 0.1397 0.5937 0.1898 0 H1 H 0.1373 0.632 0.2292 0 N1 N 0.5857 0.0323 0.6845 0 C2 C 0.6397 0.0937 0.6898 0 H1 H 0.6373 0.132 0.7292 0 N1 N 0.0857 0.4677 0.8155 0 C2 C 0.1397 0.4063 0.8102 0 H1 H 0.1373 0.368 0.7708 0 N1 N 0.5857 0.9677 0.3155 0 C2 C 0.6397 0.9063 0.3102 0 H1 H 0.6373 0.868 0.2708 0 N1 N 0.9143 0.5323 0.8155 0 C2 C 0.8603 0.5937 0.8102 0 H1 H 0.8627 0.632 0.7708 0 N1 N 0.4143 0.0323 0.3155 0 H2 H 0.43 0.91 0.395 0 O1 O 0.3856 0.8871 0.4486 0 C2 C 0.3603 0.0937 0.3102 0 H1 H 0.3627 0.132 0.2708 0 N1 N 0.1845 0.9143 0.4677 0 H2 H 0.105 0.93 0.59 0 O1 O 0.0514 0.8856 0.6129 0 C2 C 0.1898 0.8603 0.4063 0 H1 H 0.2292 0.8627 0.368 0 N1 N 0.6845 0.4143 0.9677 0 C2 C 0.6898 0.3603 0.9063 0 H1 H 0.7292 0.3627 0.868 0 N1 N 0.1845 0.0857 0.5323 0 H2 H 0.105 0.07 0.41 0 O1 O 0.0514 0.1144 0.3871 0 C2 C 0.1898 0.1397 0.5937 0 H1 H 0.2292 0.1373 0.632 0 N1 N 0.6845 0.5857 0.0323 0 H2 H 0.605 0.57 0.91 0 O1 O 0.5514 0.6144 0.8871 0 C2 C 0.6898 0.6397 0.0937 0 H1 H 0.7292 0.6373 0.132 0 N1 N 0.8155 0.0857 0.4677 0 C2 C 0.8102 0.1397 0.4063 0 H1 H 0.7708 0.1373 0.368 0 N1 N 0.3155 0.5857 0.9677 0 C2 C 0.3102 0.6397 0.9063 0 H1 H 0.2708 0.6373 0.868 0 N1 N 0.8155 0.9143 0.5323 0 H2 H 0.895 0.93 0.41 0 O1 O 0.9486 0.8856 0.3871 0 C2 C 0.8102 0.8603 0.5937 0 H1 H 0.7708 0.8627 0.632 0 N1 N 0.3155 0.4143 0.0323 0 H2 H 0.395 0.43 0.91 0 O1 O 0.4486 0.3856 0.8871 0 C2 C 0.3102 0.3603 0.0937 0 H1 H 0.2708 0.3627 0.132 0 N1 N 0.4677 0.1845 0.9143 0 H2 H 0.59362 0.07348 0.89099 0 C2 C 0.4063 0.1898 0.8603 0 H1 H 0.368 0.2292 0.8627 0 N1 N 0.9677 0.6845 0.4143 0 H2 H 0.09 0.605 0.43 0 O1 O 0.1129 0.5514 0.3856 0 C2 C 0.9063 0.6898 0.3603 0 H1 H 0.868 0.7292 0.3627 0 N1 N 0.5323 0.1845 0.0857 0 C2 C 0.5937 0.1898 0.1397 0 H1 H 0.632 0.2292 0.1373 0 N1 N 0.0323 0.6845 0.5857 0 H2 H 0.91 0.605 0.57 0 O1 O 0.8871 0.5514 0.6144 0 C2 C 0.0937 0.6898 0.6397 0 H1 H 0.132 0.7292 0.6373 0 N1 N 0.4677 0.8155 0.0857 0 C2 C 0.4063 0.8102 0.1397 0 H1 H 0.368 0.7708 0.1373 0 N1 N 0.9677 0.3155 0.5857 0 H2 H 0.09 0.395 0.57 0 O1 O 0.1129 0.4486 0.6144 0 C2 C 0.9063 0.3102 0.6397 0 H1 H 0.868 0.2708 0.6373 0 N1 N 0.5323 0.8155 0.9143 0 H2 H 0.41 0.895 0.93 0 O1 O 0.3871 0.9486 0.8856 0 C2 C 0.5937 0.8102 0.8603 0 H1 H 0.632 0.7708 0.8627 0 N1 N 0.0323 0.3155 0.4143 0 C2 C 0.0937 0.3102 0.3603 0 H1 H 0.132 0.2708 0.3627 0 N1 N 0.4677 0.9143 0.1845 0 H2 H 0.59 0.93 0.105 0 O1 O 0.6129 0.8856 0.0514 0 C2 C 0.4063 0.8603 0.1898 0 H1 H 0.368 0.8627 0.2292 0 N1 N 0.9677 0.4143 0.6845 0 C2 C 0.9063 0.3603 0.6898 0 H1 H 0.868 0.3627 0.7292 0 N1 N 0.5323 0.0857 0.1845 0 H2 H 0.41 0.07 0.105 0 O1 O 0.3871 0.1144 0.0514 0 C2 C 0.5937 0.1397 0.1898 0 H1 H 0.632 0.1373 0.2292 0 N1 N 0.0323 0.5857 0.6845 0 C2 C 0.0937 0.6397 0.6898 0 H1 H 0.132 0.6373 0.7292 0 N1 N 0.4677 0.0857 0.8155 0 O1 O 0.6129 0.1144 0.9486 0 C2 C 0.4063 0.1397 0.8102 0 H1 H 0.368 0.1373 0.7708 0 N1 N 0.9677 0.5857 0.3155 0 C2 C 0.9063 0.6397 0.3102 0 H1 H 0.868 0.6373 0.2708 0 N1 N 0.5323 0.9143 0.8155 0 C2 C 0.5937 0.8603 0.8102 0 H1 H 0.632 0.8627 0.7708 0 N1 N 0.0323 0.4143 0.3155 0 H2 H 0.91 0.43 0.395 0 O1 O 0.8871 0.3856 0.4486 0 C2 C 0.0937 0.3603 0.3102 0 H1 H 0.132 0.3627 0.2708 0 N1 N 0.9143 0.1845 0.4677 0 H2 H 0.93 0.105 0.59 0 O1 O 0.8856 0.0514 0.6129 0 C2 C 0.8603 0.1898 0.4063 0 H1 H 0.8627 0.2292 0.368 0 N1 N 0.4143 0.6845 0.9677 0 H2 H 0.43 0.605 0.09 0 O1 O 0.3856 0.5514 0.1129 0 C2 C 0.3603 0.6898 0.9063 0 H1 H 0.3627 0.7292 0.868 0 N1 N 0.0857 0.1845 0.5323 0 C2 C 0.1397 0.1898 0.5937 0 H1 H 0.1373 0.2292 0.632 0 N1 N 0.5857 0.6845 0.0323 0 C2 C 0.6397 0.6898 0.0937 0 H1 H 0.6373 0.7292 0.132 0 N1 N 0.0857 0.8155 0.4677 0 C2 C 0.1397 0.8102 0.4063 0 H1 H 0.1373 0.7708 0.368 0 N1 N 0.5857 0.3155 0.9677 0 H2 H 0.57 0.395 0.09 0 O1 O 0.6144 0.4486 0.1129 0 C2 C 0.6397 0.3102 0.9063 0 H1 H 0.6373 0.2708 0.868 0 N1 N 0.9143 0.8155 0.5323 0 C2 C 0.8603 0.8102 0.5937 0 H1 H 0.8627 0.7708 0.632 0 N1 N 0.4143 0.3155 0.0323 0 C2 C 0.3603 0.3102 0.0937 0 H1 H 0.3627 0.2708 0.132 0 N1 N 0.1845 0.4677 0.9143 0 H2 H 0.105 0.59 0.93 0 O1 O 0.0514 0.6129 0.8856 0 C2 C 0.1898 0.4063 0.8603 0 H1 H 0.2292 0.368 0.8627 0 N1 N 0.6845 0.9677 0.4143 0 H2 H 0.605 0.09 0.43 0 O1 O 0.5514 0.1129 0.3856 0 C2 C 0.6898 0.9063 0.3603 0 H1 H 0.7292 0.868 0.3627 0 N1 N 0.1845 0.5323 0.0857 0 C2 C 0.1898 0.5937 0.1397 0 H1 H 0.2292 0.632 0.1373 0 N1 N 0.6845 0.0323 0.5857 0 H2 H 0.605 0.91 0.57 0 O1 O 0.5514 0.8871 0.6144 0 C2 C 0.6898 0.0937 0.6397 0 H1 H 0.7292 0.132 0.6373 0 N1 N 0.8155 0.4677 0.0857 0 C2 C 0.8102 0.4063 0.1397 0 H1 H 0.7708 0.368 0.1373 0 N1 N 0.3155 0.9677 0.5857 0 H2 H 0.395 0.09 0.57 0 O1 O 0.4486 0.1129 0.6144 0 C2 C 0.3102 0.9063 0.6397 0 H1 H 0.2708 0.868 0.6373 0 N1 N 0.8155 0.5323 0.9143 0 H2 H 0.895 0.41 0.93 0 O1 O 0.9486 0.3871 0.8856 0 C2 C 0.8102 0.5937 0.8603 0 H1 H 0.7708 0.632 0.8627 0 N1 N 0.3155 0.0323 0.4143 0 C2 C 0.3102 0.0937 0.3603 0 H1 H 0.2708 0.132 0.3627 0 Zn1 Zn 0 0.5 0.25 0 Zn1 Zn 0 0.5 0.75 0 Zn1 Zn 0.25 0 0.5 0 Zn1 Zn 0.75 0 0.5 0 Zn1 Zn 0.5 0.25 0 0 Zn1 Zn 0.5 0.75 0 0 Zn1 Zn 0.5 0 0.25 0 Zn1 Zn 0.5 0 0.75 0 Zn1 Zn 0 0.25 0.5 0 Zn1 Zn 0 0.75 0.5 0 Zn1 Zn 0.25 0.5 0 0 Zn1 Zn 0.75 0.5 0 0 C1 C 0.8747 0.4867 0.1253 0 C3 C 0.8974 0.5674 0.1026 0 C1 C 0.3747 0.9867 0.6253 0 C3 C 0.3974 0.0674 0.6026 0 C1 C 0.1253 0.5133 0.1253 0 C3 C 0.1026 0.4326 0.1026 0 C1 C 0.6253 0.0133 0.6253 0 C3 C 0.6026 0.9326 0.6026 0 C1 C 0.1253 0.4867 0.8747 0 C3 C 0.1026 0.5674 0.8974 0 C1 C 0.6253 0.9867 0.3747 0 C3 C 0.6026 0.0674 0.3974 0 C1 C 0.8747 0.5133 0.8747 0 C3 C 0.8974 0.4326 0.8974 0 C1 C 0.3747 0.0133 0.3747 0 C3 C 0.3974 0.9326 0.3974 0 C1 C 0.1253 0.8747 0.4867 0 C3 C 0.1026 0.8974 0.5674 0 C1 C 0.6253 0.3747 0.9867 0 C3 C 0.6026 0.3974 0.0674 0 C1 C 0.1253 0.1253 0.5133 0 C3 C 0.1026 0.1026 0.4326 0 C1 C 0.6253 0.6253 0.0133 0 C3 C 0.6026 0.6026 0.9326 0 C1 C 0.8747 0.1253 0.4867 0 C3 C 0.8974 0.1026 0.5674 0 C1 C 0.3747 0.6253 0.9867 0 C3 C 0.3974 0.6026 0.0674 0 C1 C 0.8747 0.8747 0.5133 0 C3 C 0.8974 0.8974 0.4326 0 C1 C 0.3747 0.3747 0.0133 0 C3 C 0.3974 0.3974 0.9326 0 C1 C 0.4867 0.1253 0.8747 0 C3 C 0.5674 0.1026 0.8974 0 C1 C 0.9867 0.6253 0.3747 0 C3 C 0.0674 0.6026 0.3974 0 C1 C 0.5133 0.1253 0.1253 0 C3 C 0.4326 0.1026 0.1026 0 C1 C 0.0133 0.6253 0.6253 0 C3 C 0.9326 0.6026 0.6026 0 C1 C 0.4867 0.8747 0.1253 0 C3 C 0.5674 0.8974 0.1026 0 C1 C 0.9867 0.3747 0.6253 0 C3 C 0.0674 0.3974 0.6026 0 C1 C 0.5133 0.8747 0.8747 0 C3 C 0.4326 0.8974 0.8974 0 C1 C 0.0133 0.3747 0.3747 0 C3 C 0.9326 0.3974 0.3974 0 |
2楼2025-04-04 00:50:53
