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求助:投稿中晶体的提交
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我最近想投一篇文章到Heteroatom Chemistry: 对于晶体数据它要求  rior to submission of the manuscript, the author should deposit data for organic and metal-organic structures with the Cambridge Crystallographic Data Centre. The data (without structure factors) should be sent by email to deposit@ccdc.cam. ac.uk as an ASCII file, preferably in CIF format. Hard copy data should be sent to CCDC, 12 Union Road, Cambridge, CB2 1EZ. A checklist of data items for deposition can be obtained from the CCDC home page ( http://www.ccdc.cam.ac.uk/ ) or by e-mail (to fileserv@ccdc.cam.ac.uk with the one-line message sendme checklist). The data will be acknowledged within three working days, with one CCDC deposition number per structure. These numbers should be included with the following standard text in the manuscript: "CCDC ...... contains the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retrieving.html (or from the Cambridge Crystallographic Data Centre, 12, Union Road, Cambridge CB2 1EZ, UK; fax: +44 1223 336033; or deposit@ccdc.cam.ac.uk)." Deposited data may be accessed by the journal and checked as part of the refereeing process. If data are revised prior to publication, a replacement file should be sent to CCDC. 我不是很明白,麻烦哪位朋友帮我看看! 另:是否有朋友投过这期刊,感觉怎样?谢谢! |
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2楼2007-11-01 11:30:29
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4楼2007-11-01 15:48:22
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Data items normally present in a CIF Items required for deposition with the CCDC, together with the corresponding CIF data names, are listed below. Additional data items will be accepted but not necessarily included in the Cambridge Structural Database. Structure factors will not be retained by the CCDC. A standard CIF will usually contain all of the following: Name of contact person _publ_contact_author E-mail address of contact person _publ_contact_author_email Authors' names loop_ _publ_author_name Name of the journal to which the paper has been or will be submitted _journal_name_full Compound name _chemical_name_systematic or _chemical_name_common Compound synonym (drug name, brand name, etc.) _chemical_name_common Formula _chemical_formula_moiety or _chemical_formula_structural or _chemical_formula_sum Formula weight _chemical_formula_weight Colour _exptl_crystal_colour Melting point (in K) _chemical_melting_point Crystal habit (for example: prism) _exptl_crystal_description Crystallization solvent _exptl_crystal_preparation Unit cell parameters with standard deviations (unit cell lengths in Angstroms) _cell_length_a _cell_length_b _cell_length_c _cell_angle_alpha _cell_angle_beta _cell_angle_gamma Unit cell volume (in cubic Angstroms) _cell_volume Space group symbol (in Hermann-Mauguin notation) and symmetry equivalent positions _symmetry_space_group_name_H-M loop_ _symmetry_equiv_pos_as_xyz Z value _cell_formula_units_Z Calculated density _exptl_crystal_density_diffrn Temperature of study (in K) _diffrn_ambient_temperature R-factor _refine_ls_R_factor_all _refine_ls_R_factor_obs _refine_ls_wR_factor_all _refine_ls_wR_factor_obs Atomic coordinates with standard deviations loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Atomic displacement parameters with standard deviations loop_ _atom_site_aniso_U_11 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_22 _atom_site_aniso_U_23 _atom_site_aniso_U_33 Bond lengths (in Angstroms) with standard deviations loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Bond angles with standard deviations loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle Torsion angles with standard deviations loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion Provide brief details on the following special aspects of the study, if applicable: Neutron study _diffrn_radiation_probe Absolute configuration determined by X-rays _refine_ls_abs_structure_details or _refine_ls_abs_structure_Flack or _refine_ls_abs_structure_Rogers Polymorphism _exptl_special_details Source of a natural product _chemical_compound_source Biological activity _exptl_special_details Disorder _refine_special_details http://www.ccdc.cam.ac.uk/products/csd/deposit/data.php4 |
5楼2007-11-01 19:05:00
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