Reactivity of [PtCl(n2-C2H4)(N-N)]+, N-N = diimine ligand, with phenol derivatives and first comparison between single crystal X-ray structures of syn- and anti-[Pt(N-N)(phenolate)2] rotamers in the solid state
Michele Benedetti; Daniela Antonucci; Chiara R. Girelli; Francesco Capitelli; Francesco P. Fanizzi; Inorganica Chimica Acta 409 (2014) 427–432; doi:

data_1518311
_publ_section_title
;
 Reactivity of [PtCl(n2-C2H4)(N-N)]+, N-N = diimine ligand, with phenol
 derivatives and first comparison between single crystal X-ray structures
 of syn- and anti-[Pt(N-N)(phenolate)2] rotamers in the solid state
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              427
_journal_page_last               432
_journal_volume                  409
_journal_year                    2014
_chemical_formula_moiety         'C26 H22 N2 O2 Pt'
_chemical_formula_sum            'C26 H22 N2 O2 Pt'
_chemical_formula_weight         589.55
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 131.467(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.6250(10)
_cell_length_b                   17.0860(10)
_cell_length_c                   22.289(2)
_cell_measurement_reflns_used    67
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      16.57
_cell_measurement_theta_min      3.71
_cell_volume                     4458.9(8)
_computing_cell_refinement       'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'Kappa CCD server software (Nonius, 1997)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'DIAMOND 2.1e (1998-2001 Crystal Impact GbR)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius kappa CCD'
_diffrn_measurement_method       'phi and omega scans mode'
_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  0.1948
_diffrn_reflns_av_sigmaI/netI    0.1246
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            55771
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         5.03
_exptl_absorpt_coefficient_mu    6.318
_exptl_absorpt_correction_T_max  0.7429
_exptl_absorpt_correction_T_min  0.1866
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS: Area-Detector Absorption Correction; 
Siemens Industrial Automation, Inc.: Madison, WI, 1996.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2288
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.368
_refine_diff_density_min         -1.613
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         10168
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.1434
_refine_ls_R_factor_gt           0.0613
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0130P)^2^+17.4181P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0877
_refine_ls_wR_factor_ref         0.1114
_reflns_number_gt                5545
_reflns_number_total             10168
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ben5.cif
_cod_data_source_block           ben5
_cod_depositor_comments
;Missing authorname;
 Incomplete article title
;
_cod_original_cell_volume        4458.9(6)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               1518311