Advanced Crystallography: Refinement of Disordered ... - Bruker
Advanced Crystallography: Refinement of Disordered ... - Bruker
Advanced Crystallography: Refinement of Disordered ... - Bruker
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Example 3 - Fe 3 (CO) 12 Bond Lengths100K• Fe(1) -Fe(2) 2.6932(3) Å• Fe(2)- Fe(3) 2.6993(3) Å• Fe(2)-Fe(3) 2.5591(4) Å298K• Fe(1) -Fe(2) 2.6766 (11) Å• Fe(2)- Fe(3) 2.6806 (11) Å• Fe(2)-Fe(3) 2.5547 (12) Å• Fe(2)-C(1) 2.013(4) Å• Fe(2)-C(2) 1.985(4) Å• Fe(3)-C(1) 1.989(4) Å• Fe(3)-C(2) 2.020(4) Å• C(1)-O1) 1.161(3) Å• C(2)-O(2) 1.163(3) Å• Fe(2)-C(1) 2.095(8) Å• Fe(2)-C(2) 2.042(8) Å• Fe(3)-C(1) 2.063(8) Å• Fe(3)-C(2) 2.129(8) Å• C(1)-O1) 1.088(6) Å• C(2)-O(2) 1.112(6) Å