Large orbital magnetic moment measured in the [TpFe III (CN) 3 ] − precursor of photomagnetic molecular Prussian Blue Analogues - Supplementary Information Sadaf Fatima Jafri 1 , Evangelia S. Koumousi 2,3,4,5 , Philippe Sainctavit 1,6 , Am´ elie Juhin 1 , Vivien Schuler 1 , Oana Bunau 1 , Dmitri Mitcov 4,5 , Pierre Dechambenoit 4,5 , Corine Mathoni` ere 2,3 , Rodolphe Cl´ erac 4,5 , Edwige Otero 6 , Philippe Ohresser 6 , Christophe Cartier dit Moulin 7,8 , and Marie-Anne Arrio *1 1 Institut de Min´ eralogie, de Physique des Mat´ eriaux et de Cosmochimie, UMR7590, CNRS, UPMC, IRD, MNHN, 75252 Paris Cedex 05, France 2 CNRS, ICMCB, UPR 9048, F-33600, Pessac, France 3 Univ. Bordeaux, ICMCB, UPR 9048, F-33600, Pessac, France 4 CNRS, CRPP, UPR 8641, F-33600, Pessac, France 5 Univ. Bordeaux, CRPP, UPR 8641, F-33600, Pessac, France 6 Synchrotron SOLEIL, L’Orme des Merisiers Saint-Aubin, France 7 CNRS, UMR 8232, Institut Parisien de Chimie Mol´ eculaire, F-75005, Paris, France 8 Sorbonne Universit´ es, UPMC Univ Paris 06, UMR 8232, IPCM, F-75005, Paris, France July 4, 2016 S1 Crystallographic data of the FeTp complex Single crystal of (N(C 4 H 9 ) 4 )[(Tp)Fe III (CN) 3 ]·3H 2 O(FeTp) was mounted in CargilleTM NHV immersion oil on a 50 mm MicroMountsTM rod at 120 K. The crystallographic data were collected with Bruker APEX II Quasar diffractometers, housed at the Institut de Chimie de la Mati` ere Condens´ ee de Bordeaux, and equipped with a graphite monochromator centered on the MoKα path. The program SAINT was used to integrate the data, which was thereafter corrected for absorption using SADABS [1]. The structure was solved by direct methods and refined by a full-matrix least-squares method on F 2 using SHELXL- 2013 [2]. All non-hydrogen atoms were refined anisotropically. Hydrogen atoms were assigned to ideal positions and refined isotropically using suitable riding models. Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. Figures 1 and SI-1 were generated using CrystalMaker R (CrystalMaker Software Ltd, www.crystalmaker.com). * Marie-Anne.Arrio@impmc.upmc.fr 1