Modulation of Pt →Ln Energy Transfer in PtLn2(Ln = Nd, Er, Yb) Complexes with 2,2′-Bipyridyl/2,2′:6′2′′-Terpyridyl Ethynyl Ligands
Xu, Hai-Bing; Zhang, Li-Yi; Chen, Xiao-Ming; Li, Xiu-Ling; Chen, Zhong-Ning; Crystal Growth & Design 9 (2009) 569–; doi:10.1021/cg800866r

data_4509103
_publ_section_title
;
 Modulation of Pt \\rightarrow Ln Energy Transfer in PtLn2(Ln = Nd, Er,
 Yb) Complexes with
 2,2&#x2032;-Bipyridyl/2,2&#x2032;:6&#x2032;2&#x2032;&#x2032;-Terpyridyl
 Ethynyl Ligands
;
_journal_issue                   1
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              569
_journal_paper_doi               10.1021/cg800866r
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C73 H46 Cl2 F36 N6 O12 Pt Yb2'
_chemical_formula_weight         2495.23
_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                90.362(11)
_cell_angle_beta                 94.373(15)
_cell_angle_gamma                92.239(11)
_cell_formula_units_Z            2
_cell_length_a                   10.909(8)
_cell_length_b                   20.639(14)
_cell_length_c                   20.771(14)
_cell_measurement_reflns_used    13280
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.6694
_cell_volume                     4659(6)
_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 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'RIGAKU MERCURY CCD/AFC'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0683
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28637
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.67
_exptl_absorpt_coefficient_mu    3.674
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.6052
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2396
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         3.455
_refine_diff_density_min         -2.904
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1154
_refine_ls_number_reflns         16106
_refine_ls_number_restraints     148
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0920
_refine_ls_R_factor_gt           0.0746
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1240P)^2^+12.3587P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1962
_refine_ls_wR_factor_ref         0.2187
_reflns_number_gt                12621
_reflns_number_total             16106
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg800866rsup1.cif
_cod_data_source_block           compound_4
_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 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        4659(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4509103