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O(4)-H(4B1)                   0.8400
O(4)-H(4B2)                   0.8852
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In '_publ_section_exptl_refinement' please provide details of the refinement of the water protons (inlcudes O-H distance and Uiso)
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2009210721

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Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒÐÃÅ»ØÊ×(½ð±Ò+5): 2011-01-07 16:33:08
_publ_section_exptl_refinement
;
Water H atoms bonded to O atoms were located in
difference Fourier maps and refined with O---H distance restraints of 0.83(2)
and U~iso~(H) = 1.5U~eq~(O).
;
2Â¥2011-01-07 10:49:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÒÐÃÅ»ØÊ×

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by 2009210721 at 2011-01-07 10:49:52:
_publ_section_exptl_refinement
;
Water H atoms bonded to O atoms were located in
difference Fourier maps and refined with O---H distance restraints of 0.83(2)
and U~iso~(H ...

ллÄãµÄ»Ø¸´£¬µ«ÊÇÁ½¸öO-H¼ü²»Ò»Ñù³¤°¡£¿¿ÉÒÔÕâÑùдÂð£¿
3Â¥2011-01-07 16:32:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÒÐÃÅ»ØÊ×

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by 2009210721 at 2011-01-07 10:49:52:
_publ_section_exptl_refinement
;
Water H atoms bonded to O atoms were located in
difference Fourier maps and refined with O---H distance restraints of 0.83(2)
and U~iso~(H ...

ÄãºÃ°¡£¡ÎÒÖØÐ½âÁËһϽṹ£¬È«²¿¶¼ÊÇÔÚQ·åÕÒµ½µÄ
O4    5   0.55046   0.43958   0.25740  11.00000   0.02147   0.02401 =
        0.02092  -0.00043   0.00828  -0.00217
H4B2  6   0.53210   0.39060   0.18030  11.00000   0.05000
H4B1  6   0.46420   0.48190   0.18370  11.00000   0.05000
ÕâÑùÕÒµ½µÄHÓò»ÓÃÔٹ̶¨Ò»ÏÂ
ËûÃǵļü³¤
O4 -        Distance       Angles
Cu1       1.9911 (0.0040)
H4B2      0.8634 (0.0885)  104.88 (5.36)
H4B1      0.8686 (0.1035)  108.47 (6.43)  98.08 (7.69)
               O4 -          Cu1           H4B2         
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4Â¥2011-01-07 17:03:26
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