[7]-Helicene: a chiral molecular tweezer for silver(i) salts.
Fuchter, Matthew J.; Schaefer, Julia; Judge, Dilraj K.; Wardzinski, Benjamin; Weimar, Marko; Krossing, Ingo; Dalton transactions (Cambridge, England : 2003) 41 (2012) 8238–8241; doi:10.1039/c2dt30900a

data_7019632
_publ_section_title
;
 [7]-Helicene: a chiral molecular tweezer for silver(i) salts.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8238
_journal_page_last               8241
_journal_paper_doi               10.1039/c2dt30900a
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C16 Al F36 O4, C31 H20 Ag Cl2, C H2 Cl2'
_chemical_formula_sum            'C48 H22 Ag Al Cl4 F36 O4'
_chemical_formula_weight         1623.31
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 115.4120(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   35.2189(8)
_cell_length_b                   11.0863(2)
_cell_length_c                   31.1869(7)
_cell_measurement_reflns_used    7598
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.12
_cell_measurement_theta_min      2.18
_cell_volume                     10998.7(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD area detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  'double mirrors'
_diffrn_radiation_source         'ImuS microsource'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0680
_diffrn_reflns_av_sigmaI/netI    0.0843
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            67303
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.746
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6856
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
R(int) was 0.0948 before and 0.0523 after correction.
The Ratio of minimum to maximum transmission is 0.9198.
The \l/2 correction factor is 0.0015.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.961
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6352
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.841
_refine_diff_density_min         -0.748
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2557
_refine_ls_number_reflns         22457
_refine_ls_number_restraints     4969
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.1252
_refine_ls_R_factor_gt           0.0688
_refine_ls_shift/su_max          0.036
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0709P)^2^+36.3376P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1606
_refine_ls_wR_factor_ref         0.1877
_reflns_number_gt                13112
_reflns_number_total             22457
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30900a.txt
_cod_data_source_block           p21c
_cod_database_code               7019632