A solid AND logic stimuli-responsive material with bright nondestructive performance designed by sensitive cuprophilicity
Xiao-Chen Shan; Fei-Long Jiang; Hua-bin Zhang; Xiang-Ying Qian; Lian Chen; Ming-Yan Wu; Shaeel A. AL-Thabaiti; Mao-Chun Hong; Chem.Commun. 49 (2013) 10227–; doi:10.1039/c3cc43241f

data_7109959
_publ_section_title
;
 A solid AND logic stimuli-responsive material with bright nondestructive
 performance designed by sensitive cuprophilicity
;
_journal_name_full               Chem.Commun.
_journal_page_first              10227
_journal_paper_doi               10.1039/c3cc43241f
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C62 H59 O10 P4 Cu4 I4'
_chemical_formula_sum            'C62 H59 Cu4 I4 O9.86 P4'
_chemical_formula_weight         1847.49
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.117(4)
_cell_angle_beta                 91.872(4)
_cell_angle_gamma                113.996(6)
_cell_formula_units_Z            2
_cell_length_a                   12.7974(16)
_cell_length_b                   13.9384(19)
_cell_length_c                   22.801(2)
_cell_measurement_reflns_used    6912
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.5594
_cell_measurement_theta_min      2.0259
_cell_volume                     3703.4(8)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_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  0.0481
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            37185
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    2.935
_exptl_absorpt_correction_T_max  0.5914
_exptl_absorpt_correction_T_min  0.4730
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1796
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.464
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         13010
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0827
_refine_ls_R_factor_gt           0.0589
_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^)+(0.0823P)^2^+5.8183P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1488
_refine_ls_wR_factor_ref         0.1687
_reflns_number_gt                9299
_reflns_number_total             13010
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc43241f.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7109959