Crystal structure of <i>trans</i>-dihydridobis[tris(dimethylamino)phosphane-κ<i>P</i>]platinum(II)
Downs, Emma L.; Zakharov, Lev N.; Tyler, David R.; Acta Crystallographica Section E 71 (2015) m83–m84; doi:10.1107/S2056989015004351

data_2240491
_publ_section_title
;
 Crystal structure of
 <i>trans</i>-dihydridobis[tris(dimethylamino)phosphane-\k<i>P</i>]platinum(II)
;
_journal_coeditor_code           PK2545
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m83
_journal_page_last               m84
_journal_paper_doi               10.1107/S2056989015004351
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Pt H2 (C6 H18 N3 P1)2]'
_chemical_formula_moiety         'C12 H38 N6 P2 Pt'
_chemical_formula_sum            'C12 H38 N6 P2 Pt'
_chemical_formula_weight         523.51
_chemical_name_systematic
;
<i>trans</i>-Dihydridobis[tris(dimethylamino)phosphane-\k<i>P</i>]platinum(II)
;
_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   mixed
_audit_creation_method           SHELXTL
_cell_angle_alpha                76.807(4)
_cell_angle_beta                 73.241(4)
_cell_angle_gamma                60.652(3)
_cell_formula_units_Z            1
_cell_length_a                   7.8871(19)
_cell_length_b                   7.9499(19)
_cell_length_c                   9.891(2)
_cell_measurement_reflns_used    3285
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.92
_cell_measurement_theta_min      2.96
_cell_volume                     514.8(2)
_computing_cell_refinement
;
SAINT (Bruker, 2000)
;
_computing_data_collection
;
APEX2 (Bruker, 2008)
;
_computing_data_reduction
;
SAINT (Bruker, 2000)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXTL (Sheldrick, 2008)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5813
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         2.162
_exptl_absorpt_coefficient_mu    6.973
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8556
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 1995)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_description       block
_exptl_crystal_F_000             260
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.654
_refine_diff_density_min         -0.694
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     101
_refine_ls_number_reflns         2238
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0425P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0590
_refine_ls_wR_factor_ref         0.0590
_reflns_number_gt                2238
_reflns_number_total             2238
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            pk2545sup1.cf
_cod_data_source_block           I
_cod_database_code               2240491
_cod_database_fobs_code          2240491
_shelx_estimated_absorpt_t_min   0.605
_shelx_estimated_absorpt_t_max   0.818