Stimuli-responsive metal-directed self-assembly of a ring-in-ring complex.
Alvariño, Cristina; Platas-Iglesias, Carlos; Blanco, Víctor; García, Marcos D; Peinador, Carlos; Quintela, José M; Dalton transactions (Cambridge, England : 2003) 45 (2016) 11611–11615; doi:10.1039/c6dt01835a

data_7039530
_publ_section_title
;
 Stimuli-responsive metal-directed self-assembly of a ring-in-ring
 complex.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11611
_journal_page_last               11615
_journal_paper_doi               10.1039/c6dt01835a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C68 H72 F36 N14 O2 P6 Pt2'
_chemical_formula_weight         2377.39
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-03-22 deposited with the CCDC.
2016-06-03 downloaded from the CCDC.
;
_cell_angle_alpha                95.668(12)
_cell_angle_beta                 93.889(13)
_cell_angle_gamma                104.959(13)
_cell_formula_units_Z            1
_cell_length_a                   9.3083(17)
_cell_length_b                   9.9603(16)
_cell_length_c                   25.244(4)
_cell_measurement_reflns_used    200
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.795
_cell_measurement_theta_min      4.685
_cell_volume                     2239.5(7)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_unetI/netI     0.0442
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            34134
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         0.814
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.353
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.6973
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_description       plate
_exptl_crystal_F_000             1164
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.124
_refine_diff_density_min         -0.856
_refine_diff_density_rms         0.155
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     652
_refine_ls_number_reflns         9143
_refine_ls_number_restraints     69
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0495P)^2^+5.1218P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0888
_refine_ls_wR_factor_ref         0.0953
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8222
_reflns_number_total             9143
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt01835a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7039530.cif.'
_cod_database_code               7039530
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.539
_shelx_estimated_absorpt_t_max   0.936
_shelx_res_checksum              31411