2-Amino-2-oxazoline and trialkylisourea Pt(II) complexes derived from organocyanamides
Cristina M. P. Ferreira; M. Fátima C. Guedes da Silva; Rino A. Michelin; Vadim Yu. Kukushkin; João J. R. Fraústo da Silva; Armando J. L. Pombeiro; Dalton Trans.  (2003) 3751–3756; doi:10.1039/b306690h

data_7013350
_publ_section_title
;
 2-Amino-2-oxazoline and trialkylisourea Pt(II) complexes derived from
 organocyanamides
;
_journal_issue                   19
_journal_name_full               'Dalton Trans.'
_journal_page_first              3751
_journal_page_last               3756
_journal_paper_doi               10.1039/b306690h
_journal_year                    2003
_chemical_formula_sum            'C14 H28 Cl2 N4 O2 Pt'
_chemical_formula_weight         550.39
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.74(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   12.192(2)
_cell_length_b                   8.263(2)
_cell_length_c                   29.793(6)
_cell_measurement_reflns_used    12
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.
_cell_measurement_theta_min      20.
_cell_volume                     2974.1(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.865
_diffrn_measured_fraction_theta_max 0.865
_diffrn_measurement_device_type  'Syntex P-1'
_diffrn_measurement_method       theta/2theta
_diffrn_radiation_monochromator  beta-filter
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0149
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            3551
_diffrn_reflns_theta_full        56.08
_diffrn_reflns_theta_max         56.08
_diffrn_reflns_theta_min         2.99
_diffrn_standards_decay_%        4.1
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    15.828
_exptl_absorpt_correction_T_max  0.141
_exptl_absorpt_correction_T_min  0.033
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.345
_refine_diff_density_min         -0.981
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       0.00065(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         3360
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0448P)^2^+7.0325P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.0716
_reflns_number_gt                3360
_reflns_number_total             3360
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b306690h.txt
_cod_data_source_block           oxazoline2b
_cod_original_sg_symbol_H-M      P2/c
_cod_database_code               7013350