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huangze木虫 (正式写手)
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[求助]
单晶CIF文件 已有1人参与
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请帮忙寻找这两个晶体cif文件，谢谢 CCDC 1284741 CCDC 1284360 |
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fxianlei
木虫 (职业作家)
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【答案】应助回帖
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感谢参与，应助指数 +1
huangze: 金币+20 2024-12-24 14:19:04
感谢参与，应助指数 +1
huangze: 金币+20 2024-12-24 14:19:04
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通过百度网盘分享的文件：1284360.cif，1284741.cif等2个文件 链接：https://pan.baidu.com/s/1AZ-4HN1ZAJQfSIrNVDGeeQ 提取码：3nny |
2楼2024-12-24 08:56:54
huangze
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3楼2024-12-24 14:18:52
HDJ_Tokyo
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?ù??CCDC????CCDC???????????? ####################################################################### # # This file contains crystal structure data downloaded from the # Cambridge Structural Database (CSD) hosted by the Cambridge # Crystallographic Data Centre (CCDC). # # Full information about CCDC data access policies and citation # guidelines are available at https://www.ccdc.cam.ac.uk/access/V1 # # Audit and citation data items may have been added by the CCDC. # Please retain this information to preserve the provenance of # this file and to allow appropriate attribution of the data. # ####################################################################### data_VITPFE #This CIF has been generated from an entry in the Cambridge Structural Database #No coordinates were deposited by the authors _database_code_depnum_ccdc_archive 'CCDC 1284741' _database_code_CSD VITPFE loop_ _citation_id _citation_doi _citation_year 1 10.1021/ja00404a059 1981 _audit_creation_method 'Created from the CSD' _audit_update_record ; 2024-12-25 downloaded from the CCDC. ; _database_code_NBS 538526 _chemical_formula_moiety 'C58 H36 Cl3 Fe1 N4,C1 H2 Cl2' _chemical_name_systematic 'Chloro-(bis(p-chlorophenyl)-vinylidene)-meso-tetraphenylporphyrin-iron methylene chloride solvate' _chemical_absolute_configuration unk _diffrn_ambient_temperature 140 _diffrn_radiation_probe x-ray _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/n' _symmetry_Int_Tables_number 14 _space_group_name_Hall '-P 2yn' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 1/2-x,1/2+y,1/2-z 3 -x,-y,-z 4 1/2+x,1/2-y,1/2+z _cell_length_a 19.654(5) _cell_length_b 12.418(2) _cell_length_c 23.453(5) _cell_angle_alpha 90 _cell_angle_beta 103.10(2) _cell_angle_gamma 90 _cell_volume 5575.06 #END ####################################################################### # # This file contains crystal structure data downloaded from the # Cambridge Structural Database (CSD) hosted by the Cambridge # Crystallographic Data Centre (CCDC). # # Full information about CCDC data access policies and citation # guidelines are available at https://www.ccdc.cam.ac.uk/access/V1 # # Audit and citation data items may have been added by the CCDC. # Please retain this information to preserve the provenance of # this file and to allow appropriate attribution of the data. # ####################################################################### data_VIPRFE #This CIF has been generated from an entry in the Cambridge Structural Database #No coordinates were deposited by the authors _database_code_depnum_ccdc_archive 'CCDC 1284360' _database_code_CSD VIPRFE loop_ _citation_id _citation_doi _citation_year 1 10.1021/ja00400a084 1981 _audit_creation_method 'Created from the CSD' _audit_update_record ; 2024-12-25 downloaded from the CCDC. ; _database_code_NBS 538524 _chemical_formula_moiety 'C62 H44 Cl3 Fe1 N4,2(C2 H4 Cl2)' _chemical_name_systematic 'Chloro-2,2-bis(p-chlorophenyl)-N-vinylidene-meso-tetra-p-tolylporphyrin-iron(iii) 1,2-dichloroethane solvate' _chemical_absolute_configuration unk _diffrn_ambient_temperature 295 _exptl_crystal_density_diffrn 1.36939 #These two values have been output from a single CSD field. _refine_ls_R_factor_gt 0.09 _refine_ls_wR_factor_gt 0.09 _diffrn_radiation_probe x-ray _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/n' _symmetry_Int_Tables_number 14 _space_group_name_Hall '-P 2yn' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 1/2-x,1/2+y,1/2-z 3 -x,-y,-z 4 1/2+x,1/2-y,1/2+z _cell_length_a 20.355(5) _cell_length_b 12.390(3) _cell_length_c 23.847(5) _cell_angle_alpha 90 _cell_angle_beta 103.6(3) _cell_angle_gamma 90 _cell_volume 5845.54 _cell_formula_units_Z 4 #END |
4楼2024-12-25 12:59:47
