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gzesxx木虫 (小有名气)
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求助编辑提问
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编辑提问如下； 1. publ_section_exptl_refinement ; The H atoms were placed in calculated positions with C---H = 0.93 or 0.96 \%A, and refined in riding mode with U~iso~(H) = 1.2--1.5 U~eq~(C). ; It is not satisfactory. Please follow the example and use what is suitable for the title structure. Here is an example from the different structure determination: _publ_section_exptl_refinement ; In both structures all the hydrogens were discernible in the difference Fourier maps. However, they were constrained by riding model approximation. C-H~methyl~=0.96 \%A; C-H~aryl~=0.93 \%A; U~iso~H~methyl~=1.5U~eq~(C~methyl~); U~iso~H~aryl~=1.2U~eq~(C~aryl~). In case of the NH~2~ group in either compound, the positional parameters of the hydrogens were constrained by the SHELXL-97 command to the idealized tetrahedral geometry by the command AFIX 3 (Sheldrick, 2008). The isotropic displacement parameters of the NH~2~ hydrogens were freely refined. 请问publ_section_exptl_refinement 这段该怎么填。 Please add the sentence "In the absence of significant anomalous scattering effects 626 Friedel pairs have been merged." 这段话是不是也要加在上面那段话里。 Also take into consideration _atom_sites_solution_hydrogens difmap 2.What was the habitus and the average size of the obtained crystals? 我晶体的平均尺寸为0.15mm左右，该具体怎么表达 谢谢。 |
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gzesxx
木虫 (小有名气)
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