Template controlled self-assembly of bidentate phosphine complexes with hemilabile coordination behaviour.
Chikkali, Samir; Gudat, Dietrich; Niemeyer, Mark; Chemical communications (Cambridge, England)  (2007) 981–983; doi:10.1039/b616102b

data_7101755
_publ_section_title
;
 Template controlled self-assembly of bidentate phosphine complexes
 with hemilabile coordination behaviour.
;
_journal_issue                   9
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              981
_journal_page_last               983
_journal_paper_doi               10.1039/b616102b
_journal_year                    2007
_chemical_formula_sum            'C38 H30 Cl2 O4 P2 Pd Sn'
_chemical_formula_weight         908.56
_chemical_name_common
;
bis(chloro-1-kappa-Sn)-bis(3-(diphenyl-phosphinoylmethyl)-
benzene-1,2-diolat o)-1-kappa$4!-O,2-kappa$2!-P-tin(IV)-palladium(ii)
;
_chemical_name_systematic
;
bis(chloro-1-\k-Sn)-bis(3-(diphenyl-phosphinoylmethyl)-benzene-1,2-diolat
o)-1-\k^4^-O,2-\k^2^-P-tin(IV)-palladium(II)
;
_chemical_temperature_decomposition 487
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 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                 102.516(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.227(2)
_cell_length_b                   11.707(2)
_cell_length_c                   16.475(3)
_cell_measurement_reflns_used    48
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      5.1
_cell_volume                     2302.2(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Siemens P4'
_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  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0431
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            6056
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        <0.5%
_diffrn_standards_interval_count 198
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.149
_exptl_absorpt_correction_T_max  0.923
_exptl_absorpt_correction_T_min  0.589
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.943
_refine_diff_density_min         -1.082
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         5523
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0445
_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^)+(0.0844P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1191
_refine_ls_wR_factor_ref         0.1248
_reflns_number_gt                4516
_reflns_number_total             5523
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b616102b.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been '487 K
(dec.)'. The value '487 K (dec.)' was changed to '487'.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      P2/c
_cod_database_code               7101755