[(C⁁N⁁N)Pt(CC)nR] (HC⁁N⁁N = 6-aryl-2,2′-bipyridine, n = 1‒4, R = aryl, SiMe3) as a new class of light-emitting materials and their applications in electrophosphorescent devicesElectronic supplementary information (ESI) available: General experimental procedure, analytical and spectral characterizations, OLED fabrication and performance. See http://www.rsc.org/suppdata/cc/b1/b108793b/
Lu, Wei; Mi, Bao-Xiu; Chan, Michael C. W.; Hui, Zheng; Zhu, Nianyong; Lee, Shuit-Tong; Che, Chi-Ming; Chemical Communications  (2002) 206–; doi:10.1039/b108793b

data_7114290
_publ_section_title
;
 [(C&#x2041;N&#x2041;N)Pt(C&#xE002;C)nR] (HC&#x2041;N&#x2041;N =
 6-aryl-2,2&#x2032;-bipyridine, n = 1--4, R = aryl, SiMe3) as a new class
 of light-emitting materials and their applications in
 electrophosphorescent devicesElectronic supplementary information (ESI)
 available: General experimental procedure, analytical and spectral
 characterizations, OLED fabrication and performance. See
 http://www.rsc.org/suppdata/cc/b1/b108793b/
;
_journal_issue                   3
_journal_name_full               'Chemical Communications'
_journal_page_first              206
_journal_paper_doi               10.1039/b108793b
_journal_year                    2002
_chemical_compound_source        'synthesis as described -# -#'
_chemical_formula_moiety         'C25 H18 N2 Pt'
_chemical_formula_structural     'PT1 C30 N2 H30'
_chemical_formula_sum            'C25 H18 N2 Pt'
_chemical_formula_weight         541.5
_chemical_name_common            Platinum-compound
_chemical_name_systematic
;
?
;
_space_group_IT_number           148
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2001-09-26T16:55:07-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE -# -#'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   34.132(3)
_cell_length_b                   34.132(3)
_cell_length_c                   8.6940(10)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_measurement_wavelength     '0.71073 -# -#'
_cell_volume                     8771.5(15)
_computing_cell_refinement       Scalepack
_computing_data_collection       MarControl
_computing_data_reduction        Denzo
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      300(2)
_diffrn_measured_fraction_theta_full 0.896
_diffrn_measured_fraction_theta_max 0.896
_diffrn_measurement_device_type  MarResearch-IP300
_diffrn_measurement_method       Imaging
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0527
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            11467
_diffrn_reflns_theta_full        25.51
_diffrn_reflns_theta_max         25.51
_diffrn_reflns_theta_min         1.19
_exptl_absorpt_coefficient_mu    7.211
_exptl_absorpt_correction_type   'None -# -#'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.845
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4680
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.382
_refine_diff_density_min         -1.182
_refine_diff_density_rms         0.212
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3260
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0637P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.095
_refine_ls_wR_factor_ref         0.1154
_reflns_number_gt                2469
_reflns_number_total             3260
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b108793b.txt
_cod_data_source_block           mar20
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/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_cell_volume        8771.6(15)
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               7114290