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leoooľ³æ (СÓÐÃûÆø)
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×î½üͶһƪµ¥¾§µÄÎÄÏ×£¬ÓÐÁ½¸öÒÇÆ÷·½·¨µÄÎÄÏ×ÎÊÌ⣺ 1. _refine_ls_extinction_method SHELXL #reference to extinction method is required£¨±à¼Òâ¼û£© ÎÒ¸½ÉÏÎÄÏ×£º Sheldrick, G. M. (1996). SHELXL. University of G\"ottingen, Germany. 2. _exptl_absorpt_process_details Higashi (1995). #reference to to absorption in _exptl_absorpt_process_details£¨±à¼Òâ¼û£© ÎÒ¸½ÉÏÎÄÏ×£º Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan. (ÎÄÏ×¶¼¸½ÔÚÁËreference listÖÐ) ¿ÉÊDZà¼ÔÚÉóÔĺóÕâô˵£º ¡°In the attached CIF file I still do not see the literature references either to extinction in _refine_ls_extinction_method, or to absorption in _exptl_absorpt_process_details.¡± ÓÐЩ²»Ã÷°×£¬Çë¸ßÊÖ¸ø¿´¿´¡£ [ Last edited by leooo on 2009-5-7 at 18:42 ] |
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huahua1216
ÖÁ×ðľ³æ (ÎÄ̳¾«Ó¢)
- CMEI: 1
- Ó¦Öú: 173 (¸ßÖÐÉú)
- ¹ó±ö: 1.712
- ½ð±Ò: 39227.1
- É¢½ð: 1124
- ºì»¨: 22
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- Ìû×Ó: 15280
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- ÐÔ±ð: GG
- רҵ: ·ÅÉä·ÖÎö
²»ÊǺÜÇå³þ ÊDz»ÊÇÎÄÖÐûָ³ö£¿ ÕâÊÇÎÒµÄһƬActaEµÄÎÄÏ×
¡ï
leooo(½ð±Ò+1,VIP+0): 5-7 19:14
leooo(½ð±Ò+1,VIP+0): 5-7 19:14
|
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan. Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA. Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan. Rigaku/MSC (2004). CrystalStructure. Rigaku/MSC, The Woodlands, Texas, USA. Sheldrick, G. M. (2008). Acta Cryst. A64, 112¨C122. |
2Â¥2009-05-07 18:45:51
leooo
ľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
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- Ìû×Ó: 275
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- ³æºÅ: 88283
- ×¢²á: 2005-08-23
- ÐÔ±ð: GG
- רҵ: Ó¦ÓÃÓлú»¯Ñ§
|
ÎÒÒ²²éÁ˺ܶà½üÆÚµÄACTA EµÄÎÄÕ£¬ÉõÖÁ°ÑCIFÎļþÏÂÔØÀ´¿´£¬´ó²¿·Ö¶¼Ã»ÓУ¬ Sheldrick, G. M. (2008). Acta Cryst. A64, 112¨C122 ÉÏ´ÎÉó¸½ÉÏÒÔºó±à¼Õâô˵£º The reference Sheldrick, 2008 is present in the list but is never referred to in the text or tables (I believe that this reference is actually preferable source for majority of G.Sheldrick¡¯s programs). ÕâÊÇÒ»¸öºÜÈÏÕæµÄ±à¼£¬ÎÒÒ²Çë½Ì¹ý×öµ¥¾§µÄÀÏʦ£¬ËûҲûÓöµ½¹ýÒªÕâ¸öÎÄÏ׵ġ£¡£¡£¡£¡£¡£ |

3Â¥2009-05-07 19:22:29
huahua1216
ÖÁ×ðľ³æ (ÎÄ̳¾«Ó¢)
- CMEI: 1
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- ¹ó±ö: 1.712
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4Â¥2009-05-07 19:34:47
mellowbreeze
ľ³æ (СÓÐÃûÆø)
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¡ï ¡ï
ÂåÑôѧ×Ó(½ð±Ò+1,VIP+0):¹ÄÀøÐ³æ 5-7 23:28
leooo(½ð±Ò+1,VIP+0): 5-10 15:33
ÂåÑôѧ×Ó(½ð±Ò+1,VIP+0):¹ÄÀøÐ³æ 5-7 23:28
leooo(½ð±Ò+1,VIP+0): 5-10 15:33
|
È˼ҵÄÒâ˼ÊDz»ÊÇ˵ÄãËù¸½ÉϵÄÎÄÏ×ÔÚÎÄÕÂÖÐûÓÐÒýÓ𡣿 in the list but is never referred to in the text or tables |

5Â¥2009-05-07 20:39:09
leooo
ľ³æ (СÓÐÃûÆø)
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- ³æºÅ: 88283
- ×¢²á: 2005-08-23
- ÐÔ±ð: GG
- רҵ: Ó¦ÓÃÓлú»¯Ñ§

6Â¥2009-05-07 21:13:45
leooo
ľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
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- ³æºÅ: 88283
- ×¢²á: 2005-08-23
- ÐÔ±ð: GG
- רҵ: Ó¦ÓÃÓлú»¯Ñ§

7Â¥2009-05-08 12:54:57
huahua1216
ÖÁ×ðľ³æ (ÎÄ̳¾«Ó¢)
- CMEI: 1
- Ó¦Öú: 173 (¸ßÖÐÉú)
- ¹ó±ö: 1.712
- ½ð±Ò: 39227.1
- É¢½ð: 1124
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- ³æºÅ: 260203
- ×¢²á: 2006-06-17
- ÐÔ±ð: GG
- רҵ: ·ÅÉä·ÖÎö
mine
¡ï ¡ï
ÂåÑôѧ×Ó(½ð±Ò+1,VIP+0):¶àл°ßÖñ 5-8 17:48
leooo(½ð±Ò+1,VIP+0): 5-10 15:33
ÂåÑôѧ×Ó(½ð±Ò+1,VIP+0):¶àл°ßÖñ 5-8 17:48
leooo(½ð±Ò+1,VIP+0): 5-10 15:33
|
Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97. |
8Â¥2009-05-08 13:17:00
leooo
ľ³æ (СÓÐÃûÆø)
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- ³æºÅ: 88283
- ×¢²á: 2005-08-23
- ÐÔ±ð: GG
- רҵ: Ó¦ÓÃÓлú»¯Ñ§
|
Îҵģº Data collection: RAPID-AUTO (Rigaku, 2000); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC,2000); program(s) used to solve structure: SHELXS97,(Sheldrick,1997); program(s) used to refine structure: SHELXL97,(Sheldrick,1997); molecular graphics: Siemens SHELXTL V4.2,(Sheldrick,1990); software used to prepare material for publication: SHELXL97,(Sheldrick,1997). Õâ¸öûÎÊÌ⣬ÄÇÁ½¸ö·½·¨Ã»ÔÚÕâÀïÃæ¡£ Õâ¸ö¸ÄÍêÒÔºó£¬publCIFÀïÃæÕâôÏÔʾ£¬²»ÖªµÀÊDz»ÊÇÒòΪÒÔǰûÓÐÈËÃûºÍʱ¼äµÄÎÄÏ׸ñʽµÄÔÒò Data collection Absorption correction: Empirical ABSCOR (Higashi,1995) Refinement Extinction correction: SHELXL (Sheldrick,1996), Fc*=kFc[1+0.001xFc2¦Ë3/sin(2¦È)]-1/4 |

9Â¥2009-05-08 14:52:46
leooo
ľ³æ (СÓÐÃûÆø)
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- ³æºÅ: 88283
- ×¢²á: 2005-08-23
- ÐÔ±ð: GG
- רҵ: Ó¦ÓÃÓлú»¯Ñ§

10Â¥2009-05-10 15:32:58














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