(±)-<i>cis</i>-Dichloro[<i>P</i>-(isopropylamino)dinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3,2]dioxaphosphepine](triethylphosphine)platinum(II) Dichloromethane Solvate
Parvez, M.; Babu, R. P. K.; Krishnamurthy, S. S.; Acta Crystallographica Section C 52 (1996) 333–336; doi:10.1107/S010827019500922X

data_2004497
_publ_contact_author
;
    Masood Parvez
    Department of Chemistry
    University of Calgary
    2500 University Drive N.W.
    Calgary, Alberta, Canada T2N 1N4
;
_publ_section_title
;(+-)-<i>cis</i>-Dichloro[<i>P</i>-(isopropylamino)dinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3,2]dioxaphosphepine](triethylphosphine)platinum(II)
 Dichloromethane Solvate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              333
_journal_page_last               336
_journal_paper_doi               10.1107/S010827019500922X
_journal_volume                  52
_journal_year                    1996
_chemical_formula_analytical     'C29 H35 Cl2 N O2 P2 Pt,C H2 Cl2'
_chemical_formula_iupac
'[Pt Cl2 (C23 H20 N O2 P) (C6 H15 P)] , C H2 Cl2'
_chemical_formula_moiety         'C29 H35 Cl2 N O2 P2 Pt,C1 H2 Cl2'
_chemical_formula_sum            'C30 H37 Cl4 N O2 P2 Pt'
_chemical_formula_weight         842.48
_chemical_name_common
;(+-)-cis-dichloro{(isopropylamino)([1,1'-binaphthyl]-2,2'-dioxy)-phosphane}
(triethylphosphine)platinum (II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.30(2)
_cell_angle_beta                 103.21(2)
_cell_angle_gamma                96.04(2)
_cell_formula_units_Z            2
_cell_length_a                   10.856(3)
_cell_length_b                   15.051(2)
_cell_length_c                   10.407(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    220
_cell_measurement_theta_max      45.0
_cell_measurement_theta_min      30.0
_cell_volume                     1626.1(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1994)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'DIRDIF (Beurskens et al., 1992)'
_diffrn_ambient_temperature      220
_diffrn_measurement_device       AFC-6S
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6111
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         2.0
_diffrn_standards_decay_%        1.7
_diffrn_standards_interval_time  150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.753
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.599
_exptl_absorpt_correction_type
'empirical (\y scans; North, Phillips & Mathews, 1968)'
_exptl_absorpt_process_details   'psi-scan 3 reflections'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             832.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.08
_refine_diff_density_max         '1.24 peaks adjacent to Pt'
_refine_diff_density_min         -1.12
_refine_ls_extinction_coef       0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.470
_refine_ls_hydrogen_treatment
'H atoms riding in geometrically idealized positions, C-H and N-H 0.95\%A'
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     361
_refine_ls_number_reflns         3926
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0390
_refine_ls_shift/esd_max         0.0590
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0370
_reflns_number_observed          3926
_reflns_number_total             6111
_reflns_observed_criterion       I>3.0\s(I)
_cod_data_source_file            fg1071.cif
_cod_data_source_block           default
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1626.1(7)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C30 H37 Cl4 N1 O2 P2 Pt1'
_cod_database_code               2004497