Inter- and Intramolecular π-Stacking Interactions in cis-Bis{1-(9-anthracene)}phosphirane Complexes of Platinum(II)
Fan Yang; Philip E. Fanwick; Clifford P. Kubiak; Inorganic Chemistry 41 (2002) 4805–4809; doi:10.1021/ic020061t

data_4318499
_publ_contact_author_address
;    Department of Chemistry
      Purdue University
      W. Lafayette
      IN 47907
      USA
;
_publ_contact_author_email       fanwick@.xray.chem.purdue.edu
_publ_contact_author_fax         1(765)4940239
_publ_contact_author_name        'Fanwick, Phillip E.'
_publ_contact_author_phone       1(765)4944572
_publ_section_title
;
 Inter- and Intramolecular \p-Stacking Interactions in
 cis-Bis{1-(9-anthracene)}phosphirane Complexes of Platinum(II)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4805
_journal_page_last               4809
_journal_paper_doi               10.1021/ic020061t
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C40 H36 O4 P2 Pt S2'
_chemical_formula_weight         901.90
_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_type_scat_source           International_Tables_for_Xray_Crystallography
_cell_angle_alpha                90.00
_cell_angle_beta                 114.393(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.3638(18)
_cell_length_b                   11.654(3)
_cell_length_c                   19.651(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      25
_cell_measurement_theta_min      19
_cell_volume                     3621.6(13)
_computing_cell_refinement       CAD4_(Enraf-Nonius,_1977)
_computing_data_collection       CAD4_(Enraf-Nonius,_1977)
_computing_data_reduction        PROCESS_MolEN_(Fair,_1990)
_computing_molecular_graphics    ORTEP_(Johnson,_1976)
_computing_publication_material  CIF_VAX_MolEN_(Fair,_1990)
_computing_structure_refinement  LSFM_MolEN_(Fair,_1990)
_computing_structure_solution    PATTY_(DIRDIF92,_Beurskins,_1992)
_diffrn_ambient_temperature      296
_diffrn_measurement_device_type  Enraf_Nonius_CAD4
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            7946
_diffrn_reflns_theta_max         26.32
_diffrn_reflns_theta_min         2.59
_diffrn_standards_decay_%        0.93
_diffrn_standards_interval_time  83
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.151
_exptl_absorpt_correction_T_max  0.4359
_exptl_absorpt_correction_T_min  0.2710
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.65
_exptl_crystal_description       needle
_exptl_crystal_F_000             1792
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.25
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_refine_diff_density_min         -0.24
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5003
_refine_ls_R_factor_gt           0.033
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     '4Fo^2^/ (\s^2^(Fo^2^) + 0.0016 Fo^4^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.039
_reflns_number_gt                5003
_reflns_number_total             7722
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            ic020061t_1.cif
_cod_data_source_block           PTANDE
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc ' changed to 'calc'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        3622(3)
_cod_original_formula_sum        'C40 H36 O4 P2 Pt1 S2'
_cod_database_code               4318499