Syntheses, structures, and sensitized lanthanide luminescence by Pt ‒> Ln (Ln = Eu, Nd, Yb) energy transfer for heteronuclear PtLn2 and Pt2Ln4 complexes with a terpyridyl-functionalized alkynyl ligand.
Li, Xiu-Ling; Shi, Lin-Xi; Zhang, Li-Yi; Wen, Hui-Min; Chen, Zhong-Ning; Inorganic chemistry 46 (2007) 10892–10900; doi:10.1021/ic7015676

data_4339336
_publ_section_title
;
 Syntheses, structures, and sensitized lanthanide luminescence by Pt
 --&gt; Ln (Ln = Eu, Nd, Yb) energy transfer for heteronuclear PtLn2 and
 Pt2Ln4 complexes with a terpyridyl-functionalized alkynyl ligand.
;
_journal_issue                   25
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10892
_journal_page_last               10900
_journal_paper_doi               10.1021/ic7015676
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C101 H56 F36 N6 Nd2 O12 P2 Pt'
_chemical_formula_weight         2775.03
_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                75.785(7)
_cell_angle_beta                 76.278(6)
_cell_angle_gamma                75.276(7)
_cell_formula_units_Z            2
_cell_length_a                   15.409(3)
_cell_length_b                   18.761(4)
_cell_length_c                   25.654(5)
_cell_measurement_reflns_used    12456
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4797
_cell_measurement_theta_min      2.3619
_cell_volume                     6831(2)
_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 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker P4'
_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  0.0366
_diffrn_reflns_av_sigmaI/netI    0.0705
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            43925
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    1.891
_exptl_absorpt_correction_T_max  0.6196
_exptl_absorpt_correction_T_min  0.4340
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2704
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_refine_diff_density_max         2.990
_refine_diff_density_min         -0.991
_refine_diff_density_rms         0.202
_refine_ls_extinction_coef       0.0073(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1691
_refine_ls_number_reflns         23825
_refine_ls_number_restraints     564
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.1003
_refine_ls_R_factor_gt           0.0710
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1502P)^2^+11.6352P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2100
_refine_ls_wR_factor_ref         0.2527
_reflns_number_gt                16722
_reflns_number_total             23825
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7015676-file001.cif
_cod_data_source_block           compound_6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4339336