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Re: [sdpd] Bethanechol chloride : new single crystal results

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      <p><div style="color:#000;background-color:#fff;font-family:times new roman, new york, times, serif;font-size:12pt;">&gt;Easy to find a lot of published restrained refinements. <br>Easy to restrain, thus easy to find - nobody doubts.<br><br>&gt;Sorry to destroy your unrestrained future.<br>Don't worry: even Armel Le Bail can't destroy the future.<br>Unrestrained refinement is possible yet for such ugly data:<br>http://sites.google.com/site/ddmsuite/home/dithianon_I-DDM.cif<br><div><span>http://sites.google.com/site/ddmsuite/home/dithianon_I-DDM.png<br></span></div><div style="color: rgb(0, 0, 0);font-size: 16px;font-family: times new roman,new york,times,serif;background-color: transparent;font-style: normal;">The precision here is much lower than in the previous example, but it might have been improved if the authors of that nice paper had spent more time for data collection and/or sample preparation.</div><div style="color: rgb(0, 0, 0);font-size: 16px;font-family: times new 
 roman,new york,times,serif;background-color: transparent;font-style: normal;"><br></div><div style="color: rgb(0, 0, 0);font-size: 16px;font-family: times new roman,new york,times,serif;background-color: transparent;font-style: normal;"><span class="Apple-style-span" style="font-family:monospace;font-size:14px;">*******************************************************<br style="outline-style:none;outline-color:initial;">Leonid A. Solovyov<br style="outline-style:none;outline-color:initial;">Institute of Chemistry and Chemical Technology<br style="outline-style:none;outline-color:initial;">660049, K. Marx 42,&nbsp;<span class="yshortcuts" id="lw_1317612808_2" style="outline-style:none;outline-color:initial;border-bottom-style:dotted;border-bottom-width:2px;border-bottom-color:rgb(54, 99, 136);cursor:pointer;">Krasnoyarsk,
 Russia</span><br style="outline-style:none;outline-color:initial;"><a rel="nofollow" target="_blank" href="http://sites.google.com/site/solovyovleonid"; style="text-decoration:underline;color:rgb(0, 51, 153);outline-style:none;outline-color:initial;"><span class="yshortcuts" id="lw_1317612808_3" style="outline-style:none;outline-color:initial;">http://sites.google.com/site/solovyovleonid</span></a><br style="outline-style:none;outline-color:initial;">*******************************************************</span><br></div>  <div style="font-family: times new roman, new york, times, serif;font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif;font-size: 12pt;"> <div dir="ltr"> <hr size="1">  <font face="Arial" size="2"> <b><span style="font-weight:bold;">From:</span></b> Armel Le Bail &lt;armel.le_bail...@univ-lemans.fr&gt;<br> <b><span style="font-weight:
 bold;">To:</span></b> sdpd...@yahoogroups.com <br> <b><span style="font-weight: bold;">Sent:</span></b> Wednesday, September 4, 2013 8:01 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [sdpd] Bethanechol chloride : new single crystal results<br> </font> </div> <div class="y_msg_container"><br>
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</div><blockquote type="cite" class="yiv318650228cite" cite>Unrestrained future can't be
destroyed. Being restrained, however, it destroys
itself.</blockquote><br>
Easy to find a lot of published restrained refinements. <br>
Four examples in that nice 2012 paper :<br>
http://scripts.iucr.org/cgi-bin/paper?S0108768112036191<br><br>Data available. <br><br>
<font face="Arial, Helvetica" size="1">No. of parameters&nbsp;&nbsp;
106&nbsp;&nbsp; 129&nbsp;&nbsp;&nbsp; 260&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
177<br>
No. of restraints&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
65&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 65&nbsp;&nbsp;&nbsp;
204&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 139<br><br>
</font>Sorry to destroy your unrestrained future.<br><br>
Best,<br>
Armel<br></div></div></div></div><br></div> </div> </div>  </p>

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