Structural Characterization of a Photoinduced Molecular Switch

Mathieu Marchivie; Philippe Guionneau; Judith A. K. Howard; Guillaume Chastanet; Jean-François Létard; Andres E. Goeta; Daniel Chasseau

doi:10.1021/ja016980k

journal article Dec 19, 2001

Structural Characterization of a Photoinduced Molecular Switch

Mathieu Marchivie

Philippe Guionneau Judith A. K. Howard Guillaume Chastanet

Jean-François Létard Andres E. Goeta Daniel Chasseau

Journal of the American Chemical Society Vol. 124 No. 2 pp. 194-195 · American Chemical Society (ACS)

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Data collections at 30 K were performed using an Oxford Cryosystems Helix open flow He gas cryostat combined with a Bruker SMART-CCD area detector diffractometer using the Mo Kα radiation. The diffraction frames were integrated using the SAINT package.17The structures were solved and refined with SHELXL-97.18Data for the LS crystal structure at 30 K: a= 12.781(5) Å,b= 10.073(4) Å,c= 17.227(Å),V= 2217(1) Å3, orthorhombic space groupPbcn. 1829 unique observed reflections were used to refine 191 atomic parameters and gave a final R factor of 0.046. Data for the HS-2 crystal structure at 30 K: a= 13.121(3) Å,b= 9.954(3) Å,c= 17.163(4) (Å),V= 2241(1) Å3, orthorhombic space groupPbcn. 1592 unique observed reflections were used to refine 191 atomic parameters and gave a finalRfactor of 0.060.

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Details

Published: Dec 19, 2001
Vol/Issue: 124(2)
Pages: 194-195

Authors

M

Mathieu Marchivie