Why compete when you can share? Competitive reactivity of germanium and phosphorus with selenium
Eric C. Y. Tam; Lisa M. Harris; Elliot S. Borren; J. David Smith; Matthias Lein; Martyn P. Coles; J. Robin Fulton; Chem.Commun. 49 (2013) 10278–; doi:10.1039/c3cc45954c

data_7109973
_publ_section_title
;
 Why compete when you can share? Competitive reactivity of germanium and
 phosphorus with selenium
;
_journal_name_full               Chem.Commun.
_journal_page_first              10278
_journal_paper_doi               10.1039/c3cc45954c
_journal_volume                  49
_journal_year                    2013
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         '2(C41 H63 Ge1 N2 P1 Se), 3(C7 H8)'
_chemical_formula_sum            'C103 H150 Ge2 N4 P2 Se2'
_chemical_formula_weight         1809.3
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2011-07-01T05:16:00-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.274(1)
_cell_angle_beta                 93.478(1)
_cell_angle_gamma                92.394(1)
_cell_formula_units_Z            2
_cell_length_a                   10.0820(1)
_cell_length_b                   21.7333(4)
_cell_length_c                   21.9730(4)
_cell_measurement_reflns_used    50413
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.733
_cell_measurement_theta_min      3.395
_cell_measurement_wavelength     0.71073
_cell_volume                     4801.43(13)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Bruker AXS Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      -0.483312E-1
_diffrn_orient_matrix_UB_12      -0.244544E-1
_diffrn_orient_matrix_UB_13      -0.337305E-1
_diffrn_orient_matrix_UB_21      0.868355E-1
_diffrn_orient_matrix_UB_22      -0.96681E-2
_diffrn_orient_matrix_UB_23      -0.167612E-1
_diffrn_orient_matrix_UB_31      0.39496E-2
_diffrn_orient_matrix_UB_32      -0.378082E-1
_diffrn_orient_matrix_UB_33      0.256958E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0648
_diffrn_reflns_av_unetI/netI     0.0535
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            71113
_diffrn_reflns_theta_full        26.77
_diffrn_reflns_theta_max         26.77
_diffrn_reflns_theta_min         3.4
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    1.464
_exptl_absorpt_correction_T_max  0.7167
_exptl_absorpt_correction_T_min  0.6347
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Blade
_exptl_crystal_F_000             1916
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.804
_refine_diff_density_min         -0.789
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     872
_refine_ls_number_reflns         20256
_refine_ls_number_restraints     141
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0795
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0693P)^2^+15.1424P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1411
_refine_ls_wR_factor_ref         0.1538
_reflns_number_gt                15514
_reflns_number_total             20256
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc45954c.txt
_cod_data_source_block           Compound(4)-jun1011
_cod_original_cell_volume        4801.42(13)
_cod_database_code               7109973