A 2,2',6,6'-tetraphosphinobiphenyl
Holm Petzold; Albara I. S. Alrawashdeh; Chem.Commun. 48 (2012) 160–; doi:10.1039/c1cc15917h

data_7107128
_publ_section_title
;
 A 2,2',6,6'-tetraphosphinobiphenyl
;
_journal_name_full               Chem.Commun.
_journal_page_first              160
_journal_paper_doi               10.1039/c1cc15917h
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety
;
[C38 H66 Cl4 P4 Pd2]*[C36.25 H61 Cl4 P4 Pd2]*5[CH2Cl2]*0.5[CH3OH]
;
_chemical_formula_sum            'C159.5 H278 Cl36 O P16 Pd8'
_chemical_formula_weight         4834.74
_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_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                 99.158(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   23.3722(4)
_cell_length_b                   11.6540(2)
_cell_length_c                   38.7341(6)
_cell_measurement_reflns_used    26632
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      24.9987
_cell_measurement_theta_min      2.9460
_cell_volume                     10415.9(3)
_computing_molecular_graphics    'ORTEP32 for Windows'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            51728
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    1.304
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79940
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.64 (release 22-03-2010 CrysAlis171 .NET)
(compiled Mar 22 2010,13:57:49)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4926
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.687
_refine_diff_density_min         -0.879
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1095
_refine_ls_number_reflns         18391
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0618P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1027
_refine_ls_wR_factor_ref         0.1058
_reflns_number_gt                14043
_reflns_number_total             18391
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc15917h.txt
_cod_data_source_block           shelxl
_cod_original_formula_sum        'C159.50 H278 Cl36 O P16 Pd8'
_cod_database_code               7107128