Breaking the Cycle: Impact of Sterically-Tailored Tetra(pyrazolyl)lutidines on the Self-Assembly of Silver(I) Complexes
Tyler J. Morin; Andrew Merkel; Sergey V. Lindeman; James R. Gardinier; Inorganic Chemistry 49 (2010) 7992–8002; doi:10.1021/ic1010538

data_4316426
_publ_section_title
;
 Breaking the Cycle: Impact of Sterically-Tailored
 Tetra(pyrazolyl)lutidines on the Self-Assembly of Silver(I) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7992
_journal_page_last               8002
_journal_paper_doi               10.1021/ic1010538
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C58 H72 Ag2 B2 F8 N20'
_chemical_formula_weight         1438.72
_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   difmap
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                118.0520(10)
_cell_angle_beta                 103.8740(10)
_cell_angle_gamma                92.6180(10)
_cell_formula_units_Z            1
_cell_length_a                   11.0965(4)
_cell_length_b                   12.8261(2)
_cell_length_c                   13.1776(2)
_cell_measurement_reflns_used    9857
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      67
_cell_measurement_theta_min      4
_cell_volume                     1579.16(7)
_computing_cell_refinement       'SAINT v7.23A (Bruker, 2005)'
_computing_data_collection       'APEX2 v2.1-4 (Bruker, 2007)'
_computing_data_reduction        'SADABS-2004/1 (Bruker, 2005)'
_computing_molecular_graphics    'XP v5.1 (Bruker, 1998)'
_computing_publication_material  'XCIF v6.12 (Bruker, 2001)'
_computing_structure_refinement  'SHELXL-97 v.97-2 (Sheldrick, 1993-1997)'
_computing_structure_solution    'XS/SHELXTL v6.12 (Bruker, 2001)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'Bruker APEX2 CCD detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0176
_diffrn_reflns_av_sigmaI/netI    0.0181
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            13173
_diffrn_reflns_theta_full        67.00
_diffrn_reflns_theta_max         67.06
_diffrn_reflns_theta_min         3.97
_exptl_absorpt_coefficient_mu    5.648
_exptl_absorpt_correction_T_max  0.5755
_exptl_absorpt_correction_T_min  0.2734
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.454
_refine_diff_density_min         -0.339
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         5190
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0234
_refine_ls_R_factor_gt           0.0227
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0351P)^2^+1.0826P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0577
_refine_ls_wR_factor_ref         0.0581
_reflns_number_gt                5026
_reflns_number_total             5190
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1010538_si_002_5.cif
_cod_data_source_block           Agpzstar4lut_BF4_2CH3CN
_cod_database_code               4316426