Photoswitchable and pH responsive organoplatinum(ii) complexes with azopyridine ligands
Moustafa, Mohamed E.; McCready, Matthew S.; Boyle, Paul D.; Puddephatt, Richard J.; Dalton Trans.  (2017) –; doi:10.1039/C7DT01290J

data_7043353
_publ_section_title
;
 Photoswitchable and pH responsive organoplatinum(ii) complexes with
 azopyridine ligands
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01290J
_journal_year                    2017
_chemical_formula_sum            'C22 H20 F6 N5 O P Pt'
_chemical_formula_weight         710.49
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/ccdc.csd.cc1lfnm9
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-04-07 deposited with the CCDC.
2017-06-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.079(16)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.474(9)
_cell_length_b                   12.282(5)
_cell_length_c                   22.009(12)
_cell_measurement_reflns_used    9753
_cell_measurement_temperature    110
_cell_measurement_theta_max      32.17
_cell_measurement_theta_min      2.48
_cell_volume                     4660(4)
_computing_cell_refinement       SAINT
_computing_data_collection       Apex2
_computing_data_reduction        SAINT
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_computing_structure_refinement  SHELXL-2013
_computing_structure_solution    SIR2011
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0675
_diffrn_reflns_av_unetI/netI     0.0760
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            112160
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.778
_diffrn_reflns_theta_min         2.983
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    6.166
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_correction_T_min  0.5372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.025
_exptl_crystal_description       plate
_exptl_crystal_F_000             2736
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.224
_exptl_crystal_size_mid          0.115
_exptl_crystal_size_min          0.026
_refine_diff_density_max         2.358
_refine_diff_density_min         -2.927
_refine_diff_density_rms         0.194
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     653
_refine_ls_number_reflns         17753
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1008
_refine_ls_R_factor_gt           0.0424
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0323P)^2^+1.7074P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0756
_refine_ls_wR_factor_ref         0.0914
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10644
_reflns_number_total             17753
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt01290j2.cif
_cod_data_source_block           2b
_cod_database_code               7043353
_shelx_estimated_absorpt_t_min   0.339
_shelx_estimated_absorpt_t_max   0.856
_shelxl_version_number           2013-3
_shelx_res_checksum              98884