Sensitization of lanthanide luminescence by two different Pt →Ln energy transfer pathways in PtLn3 heterotetranuclear complexes with 5-ethynyl-2,2′-bipyridine
Xu, Hai-Bing; Zhang, Li-Yi; Chen, Zhong-Hui; Shi, Lin-Xi; Chen, Zhong-Ning; Dalton Transactions  (2008) 4664–; doi:10.1039/b801573b

data_7003960
_publ_section_title
;
 Sensitization of lanthanide luminescence by two different Pt
 \\rightarrow Ln energy transfer pathways in PtLn3 heterotetranuclear
 complexes with 5-ethynyl-2,2&#x2032;-bipyridine
;
_journal_issue                   34
_journal_name_full               'Dalton Transactions'
_journal_page_first              4664
_journal_paper_doi               10.1039/b801573b
_journal_year                    2008
_chemical_formula_sum            'C93 H44 F54 N8 O21.5 Pt Yb3'
_chemical_formula_weight         3357.57
_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                65.426(5)
_cell_angle_beta                 87.209(9)
_cell_angle_gamma                72.262(8)
_cell_formula_units_Z            2
_cell_length_a                   19.014(4)
_cell_length_b                   19.213(4)
_cell_length_c                   21.686(5)
_cell_measurement_temperature    293(2)
_cell_volume                     6834(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'SIEMENS SMART CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0526
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            42532
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    3.185
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3208
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.32
_refine_diff_density_max         3.636
_refine_diff_density_min         -1.349
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2096
_refine_ls_number_reflns         23606
_refine_ls_number_restraints     1374
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0820
_refine_ls_R_factor_gt           0.0628
_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^)+(0.1018P)^2^+12.0152P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1591
_refine_ls_wR_factor_ref         0.1833
_reflns_number_gt                18201
_reflns_number_total             23606
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b801573b.txt
_cod_data_source_block           compound_9
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C93 H44 F54 N8 O21.50 Pt Yb3'
_cod_database_code               7003960