Reversible solid-state thermochromism of a 2D organic-inorganic hybrid perovskite structure based on iodoplumbate and 2-aminomethyl-pyridine
Yu, Hui; Wei, Zhenhong; Hao, Yanhuan; Liang, Zhiwen; Fu, Zhengjiang; Cai, Hu; New J. Chem. 41 (2017) 9586–9589; doi:10.1039/C7NJ02229H

data_7056458
_publ_section_title
;
 Reversible solid-state thermochromism of a 2D organic-inorganic hybrid
 perovskite structure based on iodoplumbate and 2-aminomethyl-pyridine
;
_journal_issue                   18
_journal_name_full               'New J. Chem.'
_journal_page_first              9586
_journal_page_last               9589
_journal_paper_doi               10.1039/C7NJ02229H
_journal_volume                  41
_journal_year                    2017
_chemical_formula_sum            'C36 H5.75 I22 N12 O3 Pb5'
_chemical_formula_weight         4482.03
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-06-19 deposited with the CCDC.
2017-07-25 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.628(6)
_cell_length_b                   12.917(3)
_cell_length_c                   26.346(6)
_cell_measurement_temperature    293(2)
_cell_volume                     9062(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_av_sigmaI/netI    0.0286
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            41820
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    16.787
_exptl_crystal_density_diffrn    3.285
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7623
_refine_diff_density_max         5.175
_refine_diff_density_min         -8.026
_refine_diff_density_rms         0.492
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     377
_refine_ls_number_reflns         8168
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.0446
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0846P)^2^+178.9513P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1257
_refine_ls_wR_factor_ref         0.1470
_reflns_number_gt                6824
_reflns_number_total             8168
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7nj02229h2.cif
_cod_data_source_block           t
_cod_database_code               7056458