Cellular uptake studies of two hexanuclear, carboxylate bridged, zinc ring structures using fluorescence microscopy
Carl Redshaw; Mark R. J. Elsegood; Josef W. A. Frese; Shane Ashby; Yimin Chao; Anja Mueller; Chem.Commun. 48 (2012) 6627–; doi:10.1039/c2cc32060f

data_7107915
_publ_section_title
;
 Cellular uptake studies of two hexanuclear, carboxylate bridged, zinc
 ring structures using fluorescence microscopy
;
_journal_name_full               Chem.Commun.
_journal_page_first              6627
_journal_paper_doi               10.1039/c2cc32060f
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety         'C132 H150 N6 O18 Zn6, 7(C H2 Cl2), 2(C2 H3 N)'
_chemical_formula_sum            'C143 H170 Cl14 N8 O18 Zn6'
_chemical_formula_weight         3177.39
_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                61.8254(10)
_cell_angle_beta                 81.3113(12)
_cell_angle_gamma                68.0786(11)
_cell_formula_units_Z            2
_cell_length_a                   20.7712(15)
_cell_length_b                   21.1906(16)
_cell_length_c                   21.2617(16)
_cell_measurement_reflns_used    8912
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.53
_cell_measurement_theta_min      2.99
_cell_volume                     7649.5(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX 2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX 2 CCD diffractometer'
_diffrn_measurement_method       '\w rotation with narrow frames'
_diffrn_radiation_monochromator  'silicon 111'
_diffrn_radiation_source         'ALS station 11.3.1'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7749
_diffrn_reflns_av_R_equivalents  0.0914
_diffrn_reflns_av_sigmaI/netI    0.1248
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            113593
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         33.64
_diffrn_reflns_theta_min         2.89
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.233
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_correction_T_min  0.724
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2008/1, Sheldrick, G.M., (2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3292
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.081
_refine_diff_density_min         -1.178
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       0.00039(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1911
_refine_ls_number_reflns         45999
_refine_ls_number_restraints     531
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.1140
_refine_ls_R_factor_gt           0.0675
_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^)+(0.0703P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1641
_refine_ls_wR_factor_ref         0.1933
_reflns_number_gt                27418
_reflns_number_total             45999
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c2cc32060f.txt
_cod_data_source_block           2a
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7107915