±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1431  |  »Ø¸´: 5
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

wuyigewuyige

½ð³æ (ÖøÃûдÊÖ)

[ÇóÖú] ´óÉñÃÇ¿´¿´¾§Ìåר¼ÒµÄÉó¸åÒâ¼û¸ÃÈçºÎ»Ø¸´ºÍ½â¾ö ÌØ±ðÊǵڶþÌõ ÒÑÓÐ1È˲ÎÓë

¶þÉóµÄÉó¸åÒâ¼û»ØÀ´£¬±à¼­ÖØÐÂËÍÁ˵ÚËĸöÉó¸åÈË £¬¸ÃÉó¸åÈËÊǸö (Crystallographic Reviewer)£¬Ìá³öÁËÁ½¸ö¾§Ìå·½ÃæµÄÒâ¼û£¬Ð¡µÜ²»ÖªµÀɶÒâ˼£¬Ò²²»ÖªµÀÔõô¸Ä£¬Íû´óÉñÖ¸½Ì£º

1.  Difference-map plots made with the author-supplied data show that the various H atoms in the two components appear to be correctly placed.

2.   We see from the CIF that the solvent-masking routine in Olex-2 [equivalent to SQUEEZE in PLATON] was used to remove the contributions of unspecified disordered components from the structure factor list.  We are nowhere told about this in text or ESI material (and we should be), although the authors have appended the CIF-format-output from Olex-2 (generated as  _smtbx_masks_special_details ) to the CIF from which we see that the contributions of some 58 electrons were removed from the unit-cell contents. With Z = 4 in this case, this is equivalent to the removal of 58/4 = 14.5 electrons from the formula unit.  If the disordered component was ethanol, this could correspond with  ~ 0.6(C~2~H~6~O) being added to the formula unit.    The contribution of any disordered component removed by the masking  process should be included in the overall formula, formula weight, density, F(000), etc., calculations reported in the crystal-data text and in the CIF.   This should now be done and we should also be explicitly told in the experimental text what (and the amount of) disordered material that was removed from the formula  unit by the masking process in the _smtbx_masks_special_details   text of the revised CIF.@lich666@jackdeng
»Ø¸´´ËÂ¥

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æÈ¨ÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com
  • ¸½¼þ 1 : 20180917141428.rar
  • 2018-10-06 11:12:30, 1.78 M

» ²ÂÄãϲ»¶

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

cluster8676

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
´ó¸ÅÒâ˼ÊÇÄãÔÚÓÃOlex 2 ½â¾§ÌåµÄʱºòÓÃÁËMasking È¥µôÁËÎÞÐòµÄÈܼÁ·Ö×Ó¡£ÄãÌṩµÄcifÎļþÏÔʾÓÐ58 µç×Ó±»squeezeµôÁË¡£Æ½¾ùÿ¸ö·Ö×Ó14.5¸ö¡£¸ù¾ÝÄãµÄÈܼÁ·Ö×Ó£¬ÄãÓ¦¸ÃËãÒ»ÏÂÿһ¸ö·Ö×ÓÓм¸¸öÈܼÁ·Ö×Ó¹²½á¾§¡£ÄãÓÃmask³ýµôÎÞÐò·Ö×ÓÒªÔÚÎÄÕÂÀïÌá³öÀ´¡£

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

ѧÎÞÖ¹¾³
3Â¥2018-10-07 12:58:02
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 6 ¸ö»Ø´ð

wuyigewuyige

½ð³æ (ÖøÃûдÊÖ)

@DJ_Tokyo ´óÉñ£¬Äܲ»ÄÜÔÙ°ïæ¿´Ï£¬Ð»Ð»ÁË

·¢×ÔСľ³æIOS¿Í»§¶Ë
2Â¥2018-10-06 11:15:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wuyigewuyige

½ð³æ (ÖøÃûдÊÖ)

Ëͺ컨һ¶ä
ÒýÓûØÌû:
3Â¥: Originally posted by cluster8676 at 2018-10-07 12:58:02
´ó¸ÅÒâ˼ÊÇÄãÔÚÓÃOlex 2 ½â¾§ÌåµÄʱºòÓÃÁËMasking È¥µôÁËÎÞÐòµÄÈܼÁ·Ö×Ó¡£ÄãÌṩµÄcifÎļþÏÔʾÓÐ58 µç×Ó±»squeezeµôÁË¡£Æ½¾ùÿ¸ö·Ö×Ó14.5¸ö¡£¸ù¾ÝÄãµÄÈܼÁ·Ö×Ó£¬ÄãÓ¦¸ÃËãÒ»ÏÂÿһ¸ö·Ö×ÓÓм¸¸öÈܼÁ·Ö×Ó¹²½á¾§¡£ÄãÓÃm ...

´óÉñ£¬ÄúºÃ£¬ÎÒÓõÄÈܼÁÊÇÒÒ´¼ºÍÒÒËáÒÒõ¥£¬Õâ¸ö¸ÄÔõô¼ÆË㣬»¹ÊÇÔÚÎÄÕÂÀïÌáһϾͿÉÒÔÁË£¿µÚÒ»ÌõÒâ¼ûÊÇɶÒâË¼ÄØ£¬ÎÒÔõô¸Ð¾õµÚÒ»Ìõ²»ÊǸöÒâ¼ûÄØ£¬Ôõô»Ø´ð±È½ÏºÃ£¬¶àл£¡

·¢×ÔСľ³æIOS¿Í»§¶Ë
4Â¥2018-10-07 19:37:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wuyigewuyige

½ð³æ (ÖøÃûдÊÖ)

5Â¥2018-10-08 09:23:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0703Ò»Ö¾Ô¸9£¬³õÊԳɼ¨£º338£¬ËÄÁù¼¶Òѹý£¬ÓпÆÑо­Àú£¬Çóµ÷¼Á£¡ +4 Zuhui0306 2026-03-25 4/200 2026-03-28 13:07 by ÌÆãå¶ù
[¿¼ÑÐ] 286Çóµ÷¼Á +12 PolarBear11 2026-03-26 12/600 2026-03-28 12:14 by zllcz
[¿¼ÑÐ] 291Çóµ÷¼Á +15 hhhhxn.. 2026-03-23 21/1050 2026-03-28 11:26 by self2008
[¿¼ÑÐ] 289Çóµ÷¼Á +10 ÐÂʱ´ú²ÄÁÏ 2026-03-27 10/500 2026-03-28 09:53 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 081200-314 +3 LILIQQ 2026-03-27 4/200 2026-03-28 09:41 by ±£»¤µØÇòÄãÎÒ×öÆ
[¿¼ÑÐ] 292Çóµ÷¼Á +14 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-25 15/750 2026-03-28 08:45 by WYUMater
[¿¼ÑÐ] 085701»·¾³¹¤³ÌÇóµ÷¼Á +9 ¶à¾ÃÉϿΠ2026-03-27 9/450 2026-03-28 03:58 by fmesaito
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á +10 A-¶ßÀ²ZÃÎ 2026-03-23 16/800 2026-03-27 15:13 by caszguilin
[¿¼ÑÐ] 298µ÷¼Á +3 jiyingjie123 2026-03-27 3/150 2026-03-27 11:57 by wxiongid
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬335·Ö£¬0856£¬Çóµ÷¼ÁԺУºÍµ¼Ê¦ +4 Çã____Ïô 2026-03-27 5/250 2026-03-27 11:52 by zhshch
[¿¼ÑÐ] 334Çóµ÷¼Á +3 ÓêÇåÌìÇç 2026-03-21 3/150 2026-03-27 11:30 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +4 ´Þwj 2026-03-26 4/200 2026-03-27 08:04 by chemisry
[¿¼ÑÐ] 342Çóµ÷¼Á +3 ¼ÓÓÍaÀîzs 2026-03-26 3/150 2026-03-27 00:29 by wxiongid
[¿¼ÑÐ] 291 Çóµ÷¼Á +7 »¯¹¤2026½ì±ÏÒµÉ 2026-03-21 8/400 2026-03-26 11:25 by AlenQIN.
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϺ½ 335·Ö | 0856²ÄÁÏ»¯¹¤ | GPA 4.07 | ÓпÆÑо­Àú +6 cccchenso 2026-03-23 6/300 2026-03-25 22:25 by 544594351
[¿¼ÑÐ] 293Çóµ÷¼Á +7 ¼ÓÒ»Ò»¾Å 2026-03-24 7/350 2026-03-25 12:02 by userper
[¿¼ÑÐ] Çóµ÷¼Á +6 ÑÐÑУ¬½Óµç»° 2026-03-24 7/350 2026-03-24 17:01 by barlinike
[¿¼ÑÐ] Çóµ÷¼ÁÒ»Ö¾Ô¸Î人Àí¹¤´óѧ²ÄÁϹ¤³Ì£¨085601£© +5 WW.' 2026-03-23 7/350 2026-03-24 14:50 by sprinining
[¿¼ÑÐ] 284Çóµ÷¼Á +3 yanzhixue111 2026-03-23 6/300 2026-03-23 22:58 by pswait
[¿¼ÑÐ] ²ÄÁÏ/ũҵרҵ£¬07/08¿ªÍ·¾ù¿É£¬¹ýÏß¾ÍÐÐ +3 ºÇßíŶ»í 2026-03-23 4/200 2026-03-23 22:30 by Íô£¡£¿£¡
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û