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yinguojie

铜虫 (著名写手)

应助: 9 (幼儿园)
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帖子: 1384
在线: 226小时
虫号: 511100
注册: 2008-02-25
性别: GG
专业: 配位化学

[求助] acta e 审稿意见回来，请教！！如何修改和回复@~~~~~~~~~~~~~

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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勤勉之~~

1楼2011-08-18 12:01:16

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yinguojie

铜虫 (著名写手)

应助: 9 (幼儿园)
金币: 173.8
散金: 164
红花: 4
帖子: 1384
在线: 226小时
虫号: 511100
注册: 2008-02-25
性别: GG
专业: 配位化学

最后一句话 Please acknowledge receipt of this message as soon as you see it, so that I know it has arrived safely.

是不是需要现在就先回一个邮件确定收到？如何写？

我这样写大家看行不行？

Dear Dr.
I have received your comments now , and I will modify this paper as soon as possible.
Best wishes
Yours Sincerely,