Znn3bq.jpeg
²é¿´: 2245  |  »Ø¸´: 6
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

blacktea115

Òø³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿¹ØÓÚCu-OºÍCu¡ªNµÄ¼ü³¤ÎÊÌâ ÒÑÓÐ3È˲ÎÓë

Ò»°ãÀ´ËµCu-OµÄ¼ü³¤ÊÇ1.95-2.34
Cu¡ªNµÄ¼ü³¤ÊÇ1.99¡£
ÎÒµÄCIFÊý¾ÝÀïµÄCu-OºÍCu¡ªNÊý¾Ý¶¼Âú×ãÕâЩÌõ¼þ£¬Ã»ÓÐCu-O£¬Cu¡ªN=2.6µÄ¼ü³¤¡£
µ«ÔÚ¾§Ìåѧ±¨Í¶¸åÖУ¬Í¼PLATONÖаѼü³¤Cu-O£¬Cu¡ªN=2.6µÄ¼ü³¤Ò²Á¬ÁËÆðÀ´£¬¶þ¶øÓÃSHELXLÈí¼þ½âÊDz»Á¬µÄ£¬¾§Ìåѧ±¨EµÄ±à¼­ËµÊÇÁ¬µÄ£¬ÎÒÔ­À´ËÄÅäλµÄ½á¹¹¾Í±ä³ÉÁËËûËù˵µÄextended network,°ÑÎÕ¾ÜÁË£¬ÎÒºÜÍ·ÔΣ¬²»ÖªÔõô°ì£¬Çë½Ì´ïÈË£¡£¡£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

liuhaonk

½ð³æ (СÓÐÃûÆø)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
nash603(½ð±Ò+1):лл»ØÌû½»Á÷!! 2010-08-05 09:03:09
ÒýÓûØÌû:
Originally posted by blacktea115 at 2010-08-04 19:55:32:

¿ÉÊÇÔ­CIFÎļþ¾§Ìå²ÎÊýÀïÃæÃ»ÓÐÕâЩ¼ü³¤¼ü½Ç£¬SHELXLÈí¼þÁ¬²»ÉÏÈ¥£¬Ôõô°ì°¡¡£

Reference BIND and FREE instructions in XL
5Â¥2010-08-04 20:23:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 7 ¸ö»Ø´ð

fmopily

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
nash603(½ð±Ò+1):лл»ØÌû½»Á÷!! 2010-08-05 09:02:54
°´Õձ༭˵µÄ£¬°Ñ½á¹¹ÃèÊö³Éextended network£¬ÖØÐÂͶ¾Í¿ÉÒÔÁË
2Â¥2010-08-04 19:48:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

blacktea115

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by fmopily at 2010-08-04 19:48:31:
°´Õձ༭˵µÄ£¬°Ñ½á¹¹ÃèÊö³Éextended network£¬ÖØÐÂͶ¾Í¿ÉÒÔÁË

¿ÉÊÇÔ­CIFÎļþ¾§Ìå²ÎÊýÀïÃæÃ»ÓÐÕâЩ¼ü³¤¼ü½Ç£¬SHELXLÈí¼þÁ¬²»ÉÏÈ¥£¬Ôõô°ì°¡¡£
3Â¥2010-08-04 19:55:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liuhaonk

½ð³æ (СÓÐÃûÆø)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
nash603(½ð±Ò+1):лл»ØÌû½»Á÷!! 2010-08-05 09:03:03
The connectivity is determined by d r(Cu)= 1.28, r(O)=0.66 and r(N)=0.70.  (You can find these data in a lst file). So d(Cu-O)<=2.44 d(Cu-N)<=2.48 in SHELXTL.

The connectivity is determined by dhttp://www.cryst.chem.uu.nl/spek/platon/pl040000.html ) So d(Cu-O or Cu-N)<= 2.6 in PLATON.

This is why two different connectivies are represented in different applications.

Since "The covalent radii stored in the program are based on experience rather than taken from a specific source" is SHELXTL and "Covalent radii are those given in the Cambridge Structural data base manual" in PLATON. So the latter may be more authoritative even both will be fine. Furthermore, always follow your editor.

Good luck!
4Â¥2010-08-04 20:21:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸0703»¯Ñ§ÕÐ61×îÖÕÅÅÃû62»¯Ñ§Çóµ÷¼Á +16 ÕÐ61ÅÅÃû62 2026-04-07 19/950 2026-04-09 20:44 by zhouxiaoyu
[¿¼ÑÐ] 269Çóµ÷¼Á +7 ¹òÇóÊÕÁô¡£ 2026-04-04 7/350 2026-04-09 19:06 by ̽123
[¿¼ÑÐ] Çóµ÷¼Á²ÄÁÏ¿ÆÑ§Ó빤³ÌÒ»Ö¾Ô¸985³õÊÔ365·Ö +5 ²Ä»¯Àî¿É 2026-04-08 5/250 2026-04-09 17:00 by Lilly_Li
[ÂÛÎÄͶ¸å] ÇóÖúÎÄÏ×Ô­ÎÄ 10+3 18500821399 2026-04-08 3/150 2026-04-09 16:56 by ±±¾©À³ÒðÈóÉ«
[¿¼ÑÐ] 085404 293Çóµ÷¼Á +7 ÓÂÔ¶¿â°®314 2026-04-08 7/350 2026-04-09 16:02 by Öí»á·É
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©2£¬²ÄÁÏÓ뻯¹¤308Çóµ÷¼Á +17 ÐܶþÏëÉϰ¶ 2026-04-04 18/900 2026-04-09 09:13 by leyan1127
[¿¼ÑÐ] 298Çóµ÷¼Á +4 manman511 2026-04-05 4/200 2026-04-08 16:50 by tjzhao
[¿¼ÑÐ] ²ÄÁÏר˶(0856) 339·ÖÇóµ÷¼Á +16 ¹þ¹þ¹þ¶ì¹þ¹þ¹þ 2026-04-05 16/800 2026-04-08 16:02 by luoyongfeng
[¿¼ÑÐ] 315Çóµ÷¼Á +17 ÐÀϲ777 2026-04-04 18/900 2026-04-08 13:54 by hangsimei
[¿¼ÑÐ] ²ÄÁϹ¤³ÌרҵÈÕÓïÉúÇóµ÷¼Á +9 111623 2026-04-07 9/450 2026-04-07 23:31 by Ò»Ö»ºÃ¹û×Ó?
[¿¼ÑÐ] 0854µç×ÓÐÅÏ¢319Çóµ÷¼Á£¨½ÓÊÜ¿çרҵµ÷¼Á£© +5 ÐÇÐDz»Õ£ÑÛà¶ 2026-04-05 6/300 2026-04-07 22:16 by hemengdong
[¿¼ÑÐ] ר˶085403£¬291·Ö£¬ÓÐÁ½Æª×¨Àû£¬Ò»¹úÒ»½± +3 ¹þ¼ªßä¹þ¼ªßä 2026-04-07 3/150 2026-04-07 18:21 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 316Çóµ÷¼Á +7 yyxÏëµ÷¼Á 2026-04-05 7/350 2026-04-07 14:31 by shdgaomin
[¿¼ÑÐ] ¿¼Ñе÷¼Á +7 15615482637 2026-04-04 7/350 2026-04-06 22:56 by chenzhimin
[¿¼ÑÐ] 338Çóµ÷¼Á +4 ÎÒÏëÉϰ¶ii 2026-04-05 4/200 2026-04-06 21:04 by ľ×Ó¾ý1218
[¿¼ÑÐ] £¨µ÷¼Á£©Ò»Ö¾Ô¸±¨¿¼¹þ¶û±õ¹¤Òµ´óѧ0857×ÊÔ´Óë»·¾³×¨Òµ378·Ö¿¼Éú +7 ºÝºÝ¼ÓÓÍ 2026-04-05 8/400 2026-04-06 16:52 by momoð©
[¿¼ÑÐ] 085405Èí¼þ¹¤³Ì301·ÖÇóµ÷¼Á£¬×¨Ë¶¿É¿çרҵ£¬ËÄÁù¼¶Òѹý +3 ¾²¾²ÏëÏë 2026-04-05 3/150 2026-04-06 15:23 by nepu_uu
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-05 4/200 2026-04-06 12:29 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] 331Çóµ÷¼Á +8 ÓÚÕ÷yz 2026-04-05 8/400 2026-04-06 00:54 by fmesaito
[¿¼ÑÐ] 306·Ö²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +7 Àè°ÉÀ²À²ÄãºÜÓÐà 2026-04-03 7/350 2026-04-05 17:18 by Hdyxbekcb
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û