Platinum(II) complexes bearing 1,1'-bis(diphenylphosphino)ferrocene as building blocks for functionalized redox active porphyrins.
Scolaro, Luigi Monsù; Plutino, Maria Rosaria; Romeo, Andrea; Romeo, Raffaello; Ricciardi, Giampaolo; Belviso, Sandra; Albinati, Alberto; Dalton transactions (Cambridge, England : 2003)  (2006) 2551–2559; doi:10.1039/b516391a

data_7007009
_publ_section_title
;
 Platinum(II) complexes bearing 1,1'-bis(diphenylphosphino)ferrocene as
 building blocks for functionalized redox active porphyrins.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2551
_journal_page_last               2559
_journal_paper_doi               10.1039/b516391a
_journal_year                    2006
_chemical_formula_sum            'C35 H31 Cl Fe O0.5 P2 Pt'
_chemical_formula_weight         807.93
_chemical_name_common
(PtMeCl(1,1'-bis(diphenylphosphino)ferrocene)).(0.5H2O)
_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     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.17(3)
_cell_angle_beta                 90.62(2)
_cell_angle_gamma                116.28(3)
_cell_formula_units_Z            2
_cell_length_a                   10.490(3)
_cell_length_b                   10.588(2)
_cell_length_c                   16.691(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      5.0
_cell_volume                     1596.4(9)
_computing_cell_refinement       'MolEN (Enraf-Nonius, 1990)'
_computing_data_collection       'Enraf-Nonius, 1985'
_computing_data_reduction        'MolEN (Enraf-Nonius, 1990)'
_computing_molecular_graphics
'ORTEP for Windows v1.074 (L.J. Farrugia 2001)'
_computing_publication_material
'WinGX v1.64.05(L.J. Farrugia,J. Appl. Cryst.,1999,32, 837)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Nonius CAD4'
_diffrn_measurement_method       'omega/2theta 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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0192
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6208
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         2.54
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.039
_exptl_absorpt_correction_T_max  0.9958
_exptl_absorpt_correction_T_min  0.7465
_exptl_absorpt_correction_type   'empirical, Psi scans'
_exptl_absorpt_process_details   'MOLEN (Enraf-Nonius, 1990)'
_exptl_crystal_colour            'deep orange-red'
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.461
_refine_diff_density_min         -1.459
_refine_diff_density_rms         0.185
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         6208
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.104
_refine_ls_shift/su_mean         0.032
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0637P)^2^+7.9867P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1179
_reflns_number_gt                5568
_reflns_number_total             6208
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b516391a.txt
_cod_data_source_block           rom5
_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_cell_volume        1596.5(7)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C35 H31 Cl Fe O0.50 P2 Pt'
_cod_database_code               7007009
_compound_number                 ' 1 '