Synthesis of platinum(II) metallocycles using microwave-assisted heating.
López-Vidal, Eva M; Blanco, Víctor; García, Marcos D; Peinador, Carlos; Quintela, José M; Organic letters 14 (2012) 580–583; doi:10.1021/ol203191b

data_1503571
_publ_section_title
;
 Synthesis of platinum(II) metallocycles using microwave-assisted heating.
;
_journal_issue                   2
_journal_name_full               'Organic letters'
_journal_page_first              580
_journal_page_last               583
_journal_paper_doi               10.1021/ol203191b
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C35 H34 F21 N6 O0 P4 Pt'
_chemical_formula_weight         1256.65
_chemical_name_systematic
;
 ?
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.9150(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.4899(13)
_cell_length_b                   39.043(2)
_cell_length_c                   16.3001(10)
_cell_measurement_reflns_used    34981
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      52.751
_cell_measurement_theta_min      5.100
_cell_volume                     13428.9(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0374
_diffrn_reflns_av_sigmaI/netI    0.0340
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            151285
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    2.268
_exptl_absorpt_correction_T_max  0.6474
_exptl_absorpt_correction_T_min  0.5307
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             4904
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.21
_platon_squeeze_details
;
;
_refine_diff_density_max         3.876
_refine_diff_density_min         -4.042
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.705
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1180
_refine_ls_number_reflns         27467
_refine_ls_number_restraints     102
_refine_ls_restrained_S_all      0.705
_refine_ls_R_factor_all          0.0949
_refine_ls_R_factor_gt           0.0722
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1217P)^2^+321.6324P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1875
_refine_ls_wR_factor_ref         0.2015
_reflns_number_gt                18307
_reflns_number_total             27467
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ol203191b_si_002.cif
_cod_data_source_block           0830456_b13_1s-sr
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        13428.8(14)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1503571