Specific insertion reactions of a germylene, stannylene and plumbylene into the unique P‒P bond of the hexaphospha-pentaprismane cage, P6C4tBu4: Crystal and molecular structures of P6C4tBu4ER2 (E = Ge, Sn, R = N(SiMe3)2; E = Pb, R = (C6H3(NMe2)2 -2,6)
Al-Ktaifani, Mahmoud M.; Hitchcock, Peter B.; Lappert, Michael F.; Nixon, John F.; Uiterweerd, Philip; Dalton Transactions  (2008) 2825–2831; doi:10.1039/b800458g

data_7003833
_publ_section_title
;
 Specific insertion reactions of a germylene, stannylene and plumbylene
 into the unique P--P bond of the hexaphospha-pentaprismane cage,
 P6C4tBu4: Crystal and molecular structures of P6C4tBu4ER2 (E = Ge, Sn,
 R = N(SiMe3)2; E = Pb, R = (C6H3(NMe2)2 -2,6)
;
_journal_issue                   21
_journal_name_full               'Dalton Transactions'
_journal_page_first              2825
_journal_page_last               2831
_journal_paper_doi               10.1039/b800458g
_journal_year                    2008
_chemical_formula_sum            'C23 H33 N4 Pb'
_chemical_formula_weight         572.72
_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                 109.372(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.714(4)
_cell_length_b                   10.324(3)
_cell_length_c                   17.259(5)
_cell_measurement_reflns_used    1200
_cell_measurement_temperature    223(2)
_cell_volume                     2305.2(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
_computing_publication_material  'WINGX (L.J. Farrugia,1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick,1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.917
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_device_type  ' ccd area detector (AXS Bruker)'
_diffrn_measurement_method       \w-scans
_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  0.0494
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14598
_diffrn_reflns_theta_full        28.71
_diffrn_reflns_theta_max         28.71
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    7.334
_exptl_absorpt_correction_T_max  27.26
_exptl_absorpt_correction_T_min  1.67
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1124
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.418
_refine_diff_density_min         -2.902
_refine_diff_density_rms         0.207
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         5471
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0365
_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^)+(0.0554P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0837
_refine_ls_wR_factor_ref         0.0962
_reflns_number_gt                4226
_reflns_number_total             5471
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b800458g.txt
_cod_data_source_block           c855
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_cell_volume        2305.1(11)
_cod_original_sg_symbol_H-M      ' P2(1)/c '
_cod_database_code               7003833