{μ-<i>N</i>-[(Diphenylphosphino)methyl]pyridin-2-amine-κ^2^<i>N</i>^1^:<i>P</i>}bis{[2-(2,2'-bipyridin-6-yl)phenyl-κ^3^<i>N</i>,<i>N</i>',<i>C</i>^1^]platinum(II)} bis(perchlorate)
Du, Xiang-Dang; Mo, Juan; Li, Xin-Sheng; Pan, Yu-Shan; Zhang, Su-Mei; Acta Crystallographica Section E 64 (2008) m1146–m1147; doi:10.1107/S1600536808024525

data_2219368
_publ_section_title
;{\m-<i>N</i>-[(Diphenylphosphino)methyl]pyridin-2-amine-\k^2^<i>N</i>^1^:<i>P</i>}bis{[2-(2,2'-bipyridin-6-yl)phenyl-\k^3^<i>N</i>,<i>N</i>',<i>C</i>^1^]platinum(II)}
 bis(perchlorate)
;
_journal_coeditor_code           HY2138
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1146
_journal_page_last               m1147
_journal_paper_doi               10.1107/S1600536808024525
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Pt2 (C16 H11 N2)2 (C18 H17 N2 P)] (Cl O4)2'
_chemical_formula_moiety         'C50 H39 N6 P Pt2 2+, 2(Cl O4 -)'
_chemical_formula_sum            'C50 H39 Cl2 N6 O8 P Pt2'
_chemical_formula_weight         1343.92
_chemical_name_systematic
;
{\m-N-[(Diphenylphosphino)methyl]pyridin-2-amine-
\k^2^<i>N</i>^1^:<i>P</i>}bis{[2-(2,2'-bipyridin-6-yl)phenyl-
\k^3^N,N',C^1^]platinum(II)} bis(perchlorate)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 109.697(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.845(3)
_cell_length_b                   17.927(4)
_cell_length_c                   18.481(4)
_cell_measurement_reflns_used    7716
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.60
_cell_measurement_theta_min      2.34
_cell_volume                     4630.5(17)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0898
_diffrn_reflns_av_sigmaI/netI    0.2219
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22850
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    6.249
_exptl_absorpt_correction_T_max  0.533486
_exptl_absorpt_correction_T_min  0.224615
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.928
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2600
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.845
_refine_diff_density_min         -2.380
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     696
_refine_ls_number_reflns         8097
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1119
_refine_ls_R_factor_gt           0.0748
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0656P)^2^+39.0816P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1773
_refine_ls_wR_factor_ref         0.2190
_reflns_number_gt                5253
_reflns_number_total             8097
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2138.cif
_cod_data_source_block           I
_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.

'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (8
times).

'_geom_angle_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (12 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

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.

'_geom_bond_publ_flag' value 'Yes' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (8
times).

'_geom_angle_publ_flag' value 'Yes' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (12
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        4630.5(18)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2219368
_cod_database_fobs_code          2219368