coreCIF items for final approval
Howard Flack crystal at flack.chMon Aug 6 10:04:39 BST 2007
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David: > The only place where you propose a definitive change is in item 8 and I accept this change. The only alteration I would make to your propsed wording is to replace 'the same appropriate multiplicity' with 'a multiplicity of 1' which is in any case the default value. I think I do not agree with your revised wording. To make clear what I have in mind, here is your example of a full bond list according to the way that I think it should be done. The text should correspond to this example. ; 'An example where the multiplicity is given with a full bond list' ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_multiplicity Ca1 F1 1_555 2.495(9) 1 Ca1 F2 1_555 2.291(10) 2 Ca1 F2 2_555 2.291(10) 2 Ca1 F2 3_565 2.391(11) 2 Ca1 F2 4_555 2.391(11) 2 Ca1 F3 2_545 2.214(11) 2 Ca1 F3 5_555 2.214(11) 2 Cr1 F1 1_555 1.940(11) 2 Cr1 F1 2_555 1.940(11) 2 Cr1 F2 1_555 1.918(9) 2 Cr1 F2 2_555 1.918(9) 2 Cr1 F3 1_555 1.848(10) 2 Cr1 F3 2_555 1.848(10) 2 ; > I assume that with these changes you are prepared to approve the document? Yes. I forgot to write that at the end of my text. H.
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