Sulfonium Polyoxometalates: A New Class of Solid-State Photochromic Hybrid Organic-Inorganic Materials
Khadija Hakouk; Olivier Oms; Anne Dolbecq; Hani El Moll; Jérôme Marrot; Michel Evain; Florian Molton; Carole Duboc; Philippe Deniard; Stéphane Jobic; Pierre Mialane; Rémi Dessapt; Inorganic Chemistry 52 (2013) 555–557; doi:10.1021/ic302477p

data_4333644
_publ_contact_author_address
;Institut des Materiaux JeanRouxel,
 Universite de Nantes, CNRS, 2 rue de la, Houssiniere, BP 32229,44322 Nantes
;
_publ_contact_author_email       remi.dessapt@cnrs-imn.fr
_publ_contact_author_name        'Dessapt, Remi'
_publ_section_title
;
 Sulfonium Polyoxometalates: A New Class of Solid-State Photochromic
 Hybrid Organic-Inorganic Materials
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              555
_journal_page_last               557
_journal_paper_doi               10.1021/ic302477p
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'Mo8 O26.C8 H32 N4'
_chemical_formula_sum            'C4 H16 Mo4 N2 O13'
_chemical_formula_weight         683.9
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.157(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.8352(5)
_cell_length_b                   21.164(2)
_cell_length_c                   10.0444(9)
_cell_measurement_temperature    296
_cell_volume                     1607.7(2)
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       'four-cycle diffractometer'
_diffrn_measurement_device_type  'Nonius CCD'
_diffrn_measurement_method       '\f , \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'x-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_sigmaI/netI    0.023
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            51887
_diffrn_reflns_theta_full        37.49
_diffrn_reflns_theta_max         37.49
_diffrn_reflns_theta_min         5.1
_exptl_absorpt_coefficient_mu    3.115
_exptl_absorpt_correction_T_max  0.6884
_exptl_absorpt_correction_T_min  0.4434
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'Jana2006  (Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.8248
_exptl_crystal_description
;
;
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.66
_refine_diff_density_min         -0.62
_refine_ls_extinction_coef       11800(300)
_refine_ls_extinction_method
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.00
_refine_ls_goodness_of_fit_ref   0.94
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_constraints    60
_refine_ls_number_parameters     213
_refine_ls_number_reflns         8395
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0427
_refine_ls_R_factor_gt           0.0227
_refine_ls_shift/su_max          0.0025
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.001936I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0612
_refine_ls_wR_factor_ref         0.0666
_reflns_number_gt                6264
_reflns_number_total             8395
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic302477p_si_002_1.cif
_cod_data_source_block           II
_cod_database_code               4333644
_cod_database_fobs_code          4333644