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acta e 審稿意見回來，請教��！如何修改和回復(fù)@~~~~~~~~~~~~~
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Your paper can be accepted after taking into account the following comments: 1. Abstract: plural in first sentence ..... oxazole goups. second sentence: The complex is six-coordinate ... geometry. or better: The six-coordinate complex displays a distorted octahedral geometry. 2. last sentence: the Cg...Cg distance and symmetry operations must be given. However, the two oxazole units have two five-membered and six six-membered rings. this implies a lot of work defining the centres of gravity (Cg's) for the rings and calculating the distances between Cg's and average perpendicular distances between the ring systems. Moreover, your Fig. 2 does not show the inversion related \p--\p interaction clearly, and the symmetry operators for molecule A and molecule B should also be provided in the caption of Figure 2. You need a programme like PLATON which can help analize this problem by using the "cal all" option. It will also be seen that the complexes are held together by a combination of different \p--\p interactions and a C---H...\p contact when PLATON is applied. (see point 9) The best was to delete the sentence in Abstract ... exhibits obvious intermolecular \p--\p interactions and also delete Fig. 2. Otherwise, details must be calculated, which needs time ... IMPORTANT: all numerical measured values need standard uncertainties (s.u.), which will be described for the Comment section. 3. Computing details: the SHELXS97 and SHELXL97 reference must refer to a new reference: Sheldrick, G. M. (2008). Acta Cryst. A64, 112--122. please use this reference instead of the Sheldrick G. M. (2001). reference please download and read this article which will show you that the Bruker AXS SHELXTL programme should be cited with the new Sheldrick (2008) reference. 3. in the computing details block it should be corrected like: _computing_structure_solution 'SHELXS97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL97 (Sheldrick, 2008)' _computing_molecular_graphics 'SHELXTL (Sheldrick, 2008)' _computing_publication_material 'SHELXL97 ' 4. References: Abbady M. A. (1979). .... there is only one author, delete the Assiut ... Assiut E. part there 5. Comment, please short: ... has been reported (Lamansky et l., 2001), among ... please write the trivial names for the ligands (bo) and (bon) in the long introductory sentence, as they appear only once in the text. 6. Comment: please think of having two oxazol ligands, so the average deviation of Ir1 C18 C23 C24 N2 and the dihedral angles as for molecule 1 (average is 0.0628 and 0.0719 (typo mol. 1, please check, and mol. 2) the s.u.'s for dihedral angles in parentheses: 6.5(2)\% (6.9(1)\% for mol.2), 9.2(1)\% (11.4(1)\% for mol. 2). please check with MPLA in SHELXL97. 7. Comment: please shorten the text by using just one sentence which refers to Table 1. two values each averaged not necessary. (Relevant coordination distances shown in Table 1.) 8. Table 1: please show only the six Ir---C/N/O bond distances and omit other distances and angles by replacement of yes with ? in the cif tables. The values are kept with the Supplementary materials. 9. Fig. 2: delete in Text in the Comment or you may download the programme PLATON and chose two inversion related \p--\p interactions with details as proposed in point 2, and the weak C26---H26...Cg9 contact. Cg9 is the centroid of ring C18 - C23, symmetry operation -x, y, 3/2 - z for the \p--\p interactions please chose two examples Cg3...Cg3i and Cg3...Cg6i (there are many others) the rings are parallel and inversion related. symmetry code i (7_556) is 1/2 - x, 1/2 - y, 1 - z -------------------------------------------------------- PLATON download is recommended via http://www.cryst.chem.uu.nl/platon/p1000000.html help-files are also available there for Windows systems download WinPLATON via http://www.chem.gla.ac.uk/~louis/software/platon/ A short PLATON tutorial is offered by Lachlan Cranswick at http://www.ccp14.ac.uk/tutorial/platon/index.html --------------------------------------------------------------- 10. Experimental, reference: .... to the literature (Abbady, 1979). Please send me an email indicating how you have responded to each of the comments. You should upload a new CIF at the web address: http://submission.iucr.org/submi ... Xaz7dXI43jLy/si2371 Please acknowledge receipt of this message as soon as you see it, so that I know it has arrived safely. Best wishes |
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4樓2011-08-18 12:22:01
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