Synthesis of a series of new platinum organometallic complexes derived from bidentate Schiff-base ligands and their catalytic activity in the hydrosilylation and dehydrosilylation of styrene.
Lachachi, M. Belhadj; Benabdallah, Tayeb; Aguiar, Pedro M.; Youcef, M. Hadj; Whitwood, Adrian C.; Lynam, Jason M.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 11919–11928; doi:10.1039/c5dt01407g

data_7035400
_publ_section_title
;
 Synthesis of a series of new platinum organometallic complexes derived
 from bidentate Schiff-base ligands and their catalytic activity in the
 hydrosilylation and dehydrosilylation of styrene.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11919
_journal_page_last               11928
_journal_paper_doi               10.1039/c5dt01407g
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C25 H25 N O2 Pt'
_chemical_formula_sum            'C25 H25 N O2 Pt'
_chemical_formula_weight         566.55
_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     iterative
_audit_creation_date             2014-05-05
_audit_creation_method
;
Olex2 1.2
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816)
;
_audit_update_record
;
2015-03-20 deposited with the CCDC.
2015-05-26 downloaded from the CCDC.
;
_cell_angle_alpha                98.042(4)
_cell_angle_beta                 112.189(5)
_cell_angle_gamma                109.089(5)
_cell_formula_units_Z            2
_cell_length_a                   9.5684(5)
_cell_length_b                   10.2961(5)
_cell_length_c                   12.1674(7)
_cell_measurement_reflns_used    4226
_cell_measurement_temperature    110.05(10)
_cell_measurement_theta_max      27.5340
_cell_measurement_theta_min      3.7490
_cell_volume                     1000.24(12)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110.05(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1450
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0622061000
_diffrn_orient_matrix_UB_12      -0.0694293000
_diffrn_orient_matrix_UB_13      -0.0387740000
_diffrn_orient_matrix_UB_21      0.0485399000
_diffrn_orient_matrix_UB_22      -0.0064870000
_diffrn_orient_matrix_UB_23      -0.0306280000
_diffrn_orient_matrix_UB_31      0.0388828000
_diffrn_orient_matrix_UB_32      -0.0313248000
_diffrn_orient_matrix_UB_33      0.0437847000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0342
_diffrn_reflns_av_unetI/netI     0.0607
_diffrn_reflns_laue_measured_fraction_full 0.997
_diffrn_reflns_laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6482
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.347
_diffrn_reflns_theta_min         2.893
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    7.036
_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.651
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.881
_exptl_crystal_description       plate
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.1037
_exptl_crystal_size_mid          0.0527
_exptl_crystal_size_min          0.0135
_refine_diff_density_max         1.444
_refine_diff_density_min         -0.805
_refine_diff_density_rms         0.155
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3660
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0168P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0585
_refine_ls_wR_factor_ref         0.0601
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3347
_reflns_number_total             3660
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt01407g2.cif
_cod_data_source_block           '[4c]'
_cod_depositor_comments
'Adding full bibliography for 7035397--7035401.cif.'
_cod_original_cell_volume        1000.24(10)
_cod_database_code               7035400
_shelxl_version_number           2013-4
_chemical_oxdiff_formula         'C25 H24 F1 N1 O1 Pt1'
_chemical_oxdiff_usercomment     'Billie's PtL3COD'
_reflns_odcompleteness_completeness 99.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.30
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups
2. Restrained distances
 C2-Pt1 \\sim C2A-Pt1
 with sigma of 0.02
 C6-Pt1 \\sim C6A-Pt1
 with sigma of 0.02
 C2-C3 \\sim C2A-C3A
 with sigma of 0.02
 C3-C4 \\sim C3A-C4A
 with sigma of 0.02
 C1-C2 \\sim C1A-C2A
 with sigma of 0.02
 C8-C1 \\sim C8A-C1A
 with sigma of 0.02
 C1-Pt1 \\sim C1A-Pt1
 with sigma of 0.02
 C6-C7 \\sim C6A-C7A
 with sigma of 0.02
 C7-C8 \\sim C7A-C8A
 with sigma of 0.02
 C4-C5 \\sim C4A-C5A
 with sigma of 0.02
 C5-C6 \\sim C5A-C6A
 with sigma of 0.02
 C5-O2 \\sim C5A-O2A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C2) \\sim Ueq, Uanis(C6A) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(C5) \\sim Ueq, Uanis(C3A) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(C6) \\sim Ueq, Uanis(C2A) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(C1) \\sim Ueq, Uanis(C7A) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(C4) = Uanis(C4A)
Uanis(C5) = Uanis(C3A)
Uanis(C6) = Uanis(C2A)
Uanis(C8) = Uanis(C8A)
Uanis(C2) = Uanis(C6A)
Uanis(C1) = Uanis(C7A)
Uanis(C7) = Uanis(C1A)
Uanis(C3) = Uanis(C5A)
4. Others
 Sof(O2A)=Sof(H2AA)=Sof(C2A)=Sof(H2AB)=Sof(C6A)=Sof(H6A)=Sof(C8A)=Sof(H8AA)=
 Sof(H8AB)=Sof(C1A)=Sof(H1A)=Sof(C7A)=Sof(H7AA)=Sof(H7AB)=Sof(C3A)=Sof(H3AA)=
 Sof(H3AB)=Sof(C4A)=Sof(H4AA)=Sof(H4AB)=Sof(C5A)=Sof(H5A)=1-FVAR(1)
 Sof(C1)=Sof(H1)=Sof(C6)=Sof(H6)=Sof(C2)=Sof(H2)=Sof(C3)=Sof(H3A)=Sof(H3B)=
 Sof(O2)=Sof(H2A)=Sof(C5)=Sof(H5)=Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(C7)=Sof(H7A)=
 Sof(H7B)=Sof(C8)=Sof(H8A)=Sof(H8B)=FVAR(1)
5.a Ternary CH refined with riding coordinates:
 C1(H1), C6(H6), C2(H2), C5(H5), C2A(H2AB), C6A(H6A), C1A(H1A), C5A(H5A)
5.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C7(H7A,H7B), C8(H8A,H8B), C8A(H8AA,H8AB), C7A(H7AA,
 H7AB), C3A(H3AA,H3AB), C4A(H4AA,H4AB)
5.c Aromatic/amide H refined with riding coordinates:
 C19(H19), C15(H15), C13(H13), C23(H23), C21(H21), C10(H10), C14(H14),
 C11(H11), C16(H16), C22(H22), C25(H25), C24(H24)
5.d Idealised tetrahedral OH refined as rotating group:
 O2(H2A), O2A(H2AA)
;
_shelx_res_checksum              22661