Tetraphenylethylene-based phosphine: tuneable emission and carbon dioxide fixation.
Zhang, Jianyong; Yang, Qiuli; Zhu, Yixuan; Liu, Haoliang; Chi, Zhenguo; Su, Cheng-Yong; Dalton transactions (Cambridge, England : 2003) 43 (2014) 15785–15790; doi:10.1039/c4dt01808g

data_7032065
_publ_section_title
;
 Tetraphenylethylene-based phosphine: tuneable emission and carbon dioxide
 fixation.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15785
_journal_page_last               15790
_journal_paper_doi               10.1039/c4dt01808g
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C75 H56 Ag2 O9.22 P4'
_chemical_formula_weight         1444.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   36.6284(4)
_cell_length_b                   36.6284(4)
_cell_length_c                   27.5127(5)
_cell_measurement_reflns_used    15108
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      1.00000
_cell_measurement_theta_min      0.09663
_cell_volume                     31966.8(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            38595
_diffrn_reflns_theta_full        74.01
_diffrn_reflns_theta_max         74.01
_diffrn_reflns_theta_min         3.50
_exptl_absorpt_coefficient_mu    5.715
_exptl_absorpt_correction_T_max  0.8943
_exptl_absorpt_correction_T_min  0.4810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             13208
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene-acetonitrile'
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.881
_refine_diff_density_min         -0.814
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.357
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         7131
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.357
_refine_ls_R_factor_all          0.1345
_refine_ls_R_factor_gt           0.1076
_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^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3131
_refine_ls_wR_factor_ref         0.3455
_reflns_number_gt                5051
_reflns_number_total             7131
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt01808g2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7032065.cif.'
_cod_original_cell_volume        31966.8(7)
_cod_original_sg_symbol_H-M      R-3c
_cod_database_code               7032065
_diffrn_reflns_av_unetli/neti    0.0295