A platinum(ii) complex bearing deprotonated 2-(diphenylphosphino)benzoic acid for superior phosphorescence of monomers.
Zhang, Bin; Zhang, Lina; Liu, Chunmei; Zhu, Yanyan; Tang, Mingsheng; Du, Chenxia; Song, Maoping; Dalton transactions (Cambridge, England : 2003) 43 (2014) 7704–7707; doi:10.1039/c4dt00417e

data_7031248
_publ_section_title
;
 A platinum(ii) complex bearing deprotonated 2-(diphenylphosphino)benzoic
 acid for superior phosphorescence of monomers.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7704
_journal_page_last               7707
_journal_paper_doi               10.1039/c4dt00417e
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C30 H22 N O2 P Pt, H2 O'
_chemical_formula_sum            'C30 H24 N O3 P Pt'
_chemical_formula_weight         672.56
_chemical_name_systematic
;
 ? 
;
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-10-30
_audit_creation_method
;
  Olex2 1.1
  (compiled 2011.11.01 svn.r2039, GUI svn.r3906)
;
_cell_angle_alpha                86.495(3)
_cell_angle_beta                 74.555(4)
_cell_angle_gamma                74.730(4)
_cell_formula_units_Z            2
_cell_length_a                   9.3743(4)
_cell_length_b                   11.2879(5)
_cell_length_c                   13.1326(5)
_cell_measurement_reflns_used    5485
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      29.1810
_cell_measurement_theta_min      3.1532
_cell_volume                     1292.11(10)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      291.15
_diffrn_detector_area_resol_mean 16.2312
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
  1 omega  -49.00   23.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       19.8666  -57.0000  150.0000 72

  2 omega   32.00   89.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       19.8666   57.0000  -60.0000 57

  3 omega  -10.00   82.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       19.8666   77.0000   30.0000 92

  4 omega  -21.00   62.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       19.8666  -99.0000 -120.0000 83

  5 omega  -23.00   62.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       19.8666  -99.0000   90.0000 85
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0678440000
_diffrn_orient_matrix_UB_12      -0.0328244000
_diffrn_orient_matrix_UB_13      0.0137351000
_diffrn_orient_matrix_UB_21      -0.0429559000
_diffrn_orient_matrix_UB_22      -0.0331411000
_diffrn_orient_matrix_UB_23      0.0382543000
_diffrn_orient_matrix_UB_31      0.0122179000
_diffrn_orient_matrix_UB_32      -0.0454695000
_diffrn_orient_matrix_UB_33      -0.0385754000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0570
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9692
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.16
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_source_current           n/a
_diffrn_source_voltage           n/a
_exptl_absorpt_coefficient_mu    5.524
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78421
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.983
_refine_diff_density_min         -0.909
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         5279
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0323
_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^)+(0.0209P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0600
_refine_ls_wR_factor_ref         0.0638
_reflns_number_gt                4691
_reflns_number_total             5279
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00417e2.cif
_cod_data_source_block           bzptpypco1
_cod_original_cell_volume        1292.10(9)
_cod_database_code               7031248
_chemical_oxdiff_formula         C12N2O2H41Pt1P1
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32