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_7107916
_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         'C156 H162 N6 O18 Zn6, 3(C H2 Cl2)'
_chemical_formula_sum            'C159 H168 Cl6 N6 O18 Zn6'
_chemical_formula_weight         3055.91
_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                71.435(9)
_cell_angle_beta                 80.205(9)
_cell_angle_gamma                75.167(9)
_cell_formula_units_Z            3
_cell_length_a                   19.728(5)
_cell_length_b                   21.182(5)
_cell_length_c                   29.047(6)
_cell_measurement_reflns_used    104817
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      2.91
_cell_volume                     11071(5)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997) & COLLECT'
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction        'DENZO & COLLECT'
_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_detector_area_resol_mean '4096x4096pixels / 62x62mm'
_diffrn_measured_fraction_theta_full 0.834
_diffrn_measured_fraction_theta_max 0.834
_diffrn_measurement_device_type
'Bruker-Nonius APEX II CCD camera on \k-goniostat'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1204
_diffrn_reflns_av_sigmaI/netI    0.3243
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            54828
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         2.88
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.134
_exptl_absorpt_correction_T_max  0.967
_exptl_absorpt_correction_T_min  0.935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2007/2, Sheldrick, G.M., (2007)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4770
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_platon_squeeze_details
; Two dichloromethanes per cell added to cell
contents due to ca. half a molecule per each
of the larger voids.
;
_refine_diff_density_max         0.939
_refine_diff_density_min         -0.714
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2702
_refine_ls_number_reflns         24149
_refine_ls_number_restraints     2785
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.3437
_refine_ls_R_factor_gt           0.1944
_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^)+(0.0600P)^2^+250.7140P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3169
_refine_ls_wR_factor_ref         0.3733
_reflns_number_gt                8903
_reflns_number_total             24149
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c2cc32060f.txt
_cod_data_source_block           2b
_cod_original_cell_volume        11071(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7107916