Carbon‒Hydrogen versus Nitrogen‒Oxygen Bond Activation in Reactions of N-Oxide Derivatives of 2,2′-Bipyridine and 1,10-Phenanthroline with a Dimethylplatinum(II) Complex
Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.; Organometallics 33 (2014) 5402–; doi:10.1021/om500712e

data_4084679
_publ_section_title
;
 Carbon--Hydrogen versus Nitrogen--Oxygen Bond Activation in Reactions of
 N-Oxide Derivatives of 2,2&#x2032;-Bipyridine and 1,10-Phenanthroline
 with a Dimethylplatinum(II) Complex
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              5402
_journal_paper_doi               10.1021/om500712e
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C47 H44 N4 O3 P2 Pt2'
_chemical_formula_weight         1164.98
_chemical_name_systematic
;                                                                               
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;
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90.720(14)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.491(5)
_cell_length_b                   13.395(5)
_cell_length_c                   18.933(8)
_cell_measurement_reflns_used    9995
_cell_measurement_temperature    110
_cell_measurement_theta_max      30.50
_cell_measurement_theta_min      2.85
_cell_volume                     2406.8(19)
_computing_cell_refinement       SAINT
_computing_data_collection       Apex2
_computing_data_reduction        SAINT
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_computing_structure_refinement  SHELXL-2013
_computing_structure_solution    XS
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.826
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0581
_diffrn_reflns_av_unetI/netI     0.0728
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.826
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            42785
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.826
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.814
_diffrn_reflns_theta_min         3.382
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    5.914
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_correction_T_min  0.6289
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_description       plate
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.067
_exptl_crystal_size_mid          0.025
_exptl_crystal_size_min          0.022
_platon_squeeze_details
;                                                                               
PLATON (V-160412) was used to perform the SQUEEZE procedure as                  
described in Acta Cryst. (1990), A46, 194 as the 'BYPASS                        
procedure' P. v.d. Sluis & A.L. Spek                                            
;
_refine_diff_density_max         2.228
_refine_diff_density_min         -1.948
_refine_diff_density_rms         0.206
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         8010
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0422
_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^)+(0.0509P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0921
_refine_ls_wR_factor_ref         0.0996
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5650
_reflns_number_total             8010
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om500712e_si_003.cif
_cod_data_source_block           13
_cod_original_cell_volume        2406.6(18)
_cod_database_code               4084679
_shelx_estimated_absorpt_t_min   0.693
_shelx_estimated_absorpt_t_max   0.881
_shelxl_version_number           2013-3
_shelx_res_checksum              7759
_shelx_hkl_checksum              87576