Methyl viologen-templated zinc gallophosphate zeolitic material with dual photo-/thermochromism and tuneable photovoltaic activity
Wu, Junbiao; Tao, Chunyao; Li, Yi; Li, Jiyang; Yu, Jihong; Chem. Sci. 6 (2015) 2922–; doi:10.1039/C5SC00291E

data_1518780
_publ_section_title
;
 Methyl viologen-templated zinc gallophosphate zeolitic material with dual
 photo-/thermochromism and tuneable photovoltaic activity
;
_journal_issue                   5
_journal_name_full               'Chem. Sci.'
_journal_page_first              2922
_journal_paper_doi               10.1039/C5SC00291E
_journal_volume                  6
_journal_year                    2015
_chemical_formula_sum            'Ga1.67 O10 P2.5 Zn0.83'
_chemical_formula_weight         408.10
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-06-16 deposited with the CCDC.
2015-03-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 127.038(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.767(3)
_cell_length_b                   19.047(4)
_cell_length_c                   10.248(2)
_cell_measurement_temperature    296(2)
_cell_volume                     2612.5(9)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_unetI/netI     0.0540
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            9591
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.284
_diffrn_reflns_theta_min         1.860
_exptl_absorpt_coefficient_mu    5.277
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4689
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    2.075
_exptl_crystal_F_000             1553
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.552
_refine_diff_density_min         -0.774
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     144
_refine_ls_number_reflns         3334
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0466
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0567P)^2^+10.3802P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1257
_refine_ls_wR_factor_ref         0.1353
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2396
_reflns_number_total             3334
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5sc00291e2.cif
_cod_data_source_block           JU101
_cod_depositor_comments          'Adding full bibliography for 1518780.cif.'
_cod_original_cell_volume        2612.4(9)
_cod_original_formula_sum        'Ga1.67 O10 P2.50 Zn0.83'
_cod_database_code               1518780
_shelxl_version_number           2013-4
_shelx_res_checksum              72510
_shelx_fab_checksum              92483