The preparation and coordination chemistry of phosphorus(iii) derivatives of dialkyl ureas and thioureas
Slawin, Alexandra M. Z.; Wainwright, Matthew; Woollins, J. Derek; Journal of the Chemical Society, Dalton Transactions  (2001) 2724–; doi:10.1039/b104122n

data_7010819
_publ_section_title
;
 The preparation and coordination chemistry of phosphorus(iii)
 derivatives of dialkyl ureas and thioureas
;
_journal_issue                   19
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2724
_journal_paper_doi               10.1039/b104122n
_journal_year                    2001
_chemical_formula_analytical     'C29 H30 Cl2 N2 O P2 Pt'
_chemical_formula_moiety         'C29 H30 Cl2 N2 O P2 Pt'
_chemical_formula_structural     'C29 H30 Cl2 N2 O P2 Pt'
_chemical_formula_sum            'C29 H30 Cl2 N2 O P2 Pt'
_chemical_formula_weight         750.48
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                78.4300(10)
_cell_angle_beta                 80.0560(10)
_cell_angle_gamma                66.6640(10)
_cell_formula_units_Z            2
_cell_length_a                   9.8640(4)
_cell_length_b                   10.8209(4)
_cell_length_c                   15.1644(6)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      337
_cell_measurement_theta_min      23
_cell_volume                     1448.16(10)
_computing_cell_refinement       SMART/SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       SMART
_diffrn_measurement_method       CCD
_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  0.0183
_diffrn_reflns_av_sigmaI/netI    0.0408
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8990
_diffrn_reflns_theta_max         28.59
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    5.165
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.700399
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_description       plate
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.971
_refine_diff_density_min         -1.570
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       0.0012(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.978
_refine_ls_goodness_of_fit_obs   1.024
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         6454
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.182
_refine_ls_restrained_S_obs      1.024
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_obs          0.0257
_refine_ls_shift/esd_max         0.004
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w=1/[\s^2^(Fo^2^)+(0.0309P)^2^+0.0000P] where 
P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_wR_factor_all         0.0724
_refine_ls_wR_factor_obs         0.0590
_reflns_number_observed          5727
_reflns_number_total             6504
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b104122n.txt
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7010819