Azide vs Alkyne Functionalization in Pt(II) Complexes for Post-treatment Click Modification: Solid-State Structure, Fluorescent Labeling, and Cellular Fate.
Wirth, Regina; White, Jonathan D.; Moghaddam, Alan D.; Ginzburg, Aurora L.; Zakharov, Lev N.; Haley, Michael M.; DeRose, Victoria J.; Journal of the American Chemical Society 137 (2015) 15169–15175; doi:10.1021/jacs.5b09108

data_4129642
_publ_section_title
;
 Azide vs Alkyne Functionalization in Pt(II) Complexes for Post-treatment
 Click Modification: Solid-State Structure, Fluorescent Labeling, and
 Cellular Fate.
;
_journal_issue                   48
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15169
_journal_page_last               15175
_journal_paper_doi               10.1021/jacs.5b09108
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C7 H16 Cl2 N6 O Pt'
_chemical_formula_weight         466.25
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                85.465(5)
_cell_angle_beta                 86.040(5)
_cell_angle_gamma                86.498(5)
_cell_formula_units_Z            2
_cell_length_a                   7.330(2)
_cell_length_b                   7.583(2)
_cell_length_c                   11.831(3)
_cell_measurement_reflns_used    1257
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      20.58
_cell_measurement_theta_min      2.70
_cell_volume                     653.0(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0774
_diffrn_reflns_av_unetI/netI     0.0821
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7931
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.995
_diffrn_reflns_theta_min         1.730
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    11.147
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6173
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.371
_exptl_crystal_description       cut-block
_exptl_crystal_F_000             440
_exptl_crystal_size_max          0.070
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.423
_refine_diff_density_min         -1.283
_refine_diff_density_rms         0.237
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         2287
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0232P)^2^+0.9485P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0644
_refine_ls_wR_factor_ref         0.0704
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1799
_reflns_number_total             2287
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5b09108_si_002.cif
_cod_data_source_block           mo_vderr3_0m_a
_cod_original_cell_volume        653.1(3)
_cod_database_code               4129642
_shelx_estimated_absorpt_t_min   0.509
_shelx_estimated_absorpt_t_max   0.731
_shelxl_version_number           2013-4
_shelx_res_checksum              80959
_shelx_hkl_checksum              7971