Self-assembled dinuclear molecular box [Ag2L2]2+ and triple helicates [Co2L3]4+, [Ni2L3]4+{L = bis[4-(2-pyridylmethyleneamino)phenyl] ether}
He Cheng; Duan Chun-ying; Fang Chen-jie; Meng Qing-jin; J. Chem. Soc., Dalton Trans.  (2000) 2419–2424; doi:10.1039/b001820l

data_7009545
_publ_section_title
;
 Self-assembled dinuclear molecular box [Ag2L2]2+ and triple helicates
 [Co2L3]4+,
 [Ni2L3]4+{L&#x00A0;=&#x00A0;bis[4-(2-pyridylmethyleneamino)phenyl]
 ether}
;
_journal_issue                   14
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              2419
_journal_page_last               2424
_journal_paper_doi               10.1039/b001820l
_journal_year                    2000
_chemical_formula_sum            'C51 H40.5 Ag2 B2 F8 N9.5 O2'
_chemical_formula_weight         1207.79
_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                105.679(13)
_cell_angle_beta                 92.656(18)
_cell_angle_gamma                98.31(3)
_cell_formula_units_Z            2
_cell_length_a                   13.110(3)
_cell_length_b                   13.611(5)
_cell_length_c                   15.009(2)
_cell_measurement_reflns_used    38
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      9.02
_cell_measurement_theta_min      5.42
_cell_volume                     2541.2(12)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '2\q/\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  0.0560
_diffrn_reflns_av_sigmaI/netI    0.0827
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9988
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.80
_diffrn_standards_decay_%        14.98
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.851
_exptl_absorpt_correction_T_max  0.882
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1210
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.620
_refine_diff_density_min         -0.609
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     666
_refine_ls_number_reflns         8736
_refine_ls_number_restraints     106
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1340
_refine_ls_R_factor_gt           0.0695
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0901P)^2^+5.3765P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1670
_refine_ls_wR_factor_ref         0.2050
_reflns_number_gt                4881
_reflns_number_total             8736
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b001820l.txt
_cod_data_source_block           ag1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2541.2(11)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_original_formula_sum        'C51 H40.50 Ag2 B2 F8 N9.50 O2'
_cod_database_code               7009545