New chemistry of 1,2-closo-P(2)B(10)H(10) and 1,2-closo-As(2)B(10)H(10); in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes.
McLellan, R.; Boag, N. M.; Dodds, K.; Ellis, D.; Macgregor, S. A.; McKay, D.; Masters, S. L.; Noble-Eddy, R; Platt, N. P.; Rankin, D. W. H.; Robertson, H. E.; Rosair, G. M.; Welch, A. J.; Dalton transactions (Cambridge, England : 2003) 40 (2011) 7181–7192; doi:10.1039/c1dt10540j

data_7016244
_publ_section_title
;
 New chemistry of 1,2-closo-P(2)B(10)H(10) and
 1,2-closo-As(2)B(10)H(10); in silico and gas electron diffraction
 structures, and new metalladiphospha- and metalladiarsaboranes.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7181
_journal_page_last               7192
_journal_paper_doi               10.1039/c1dt10540j
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C5 H14 As2 B9 Co'
_chemical_formula_sum            'C5 H14 As2 B9 Co'
_chemical_formula_weight         380.22
_chemical_name_common            x82839
_chemical_name_systematic
;

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;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 113.331(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.2969(9)
_cell_length_b                   10.6713(13)
_cell_length_c                   8.8333(11)
_cell_measurement_reflns_used    7513
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.60
_cell_measurement_theta_min      2.52
_cell_volume                     631.58(14)
_computing_cell_refinement       'APEX2 (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'APEX2 (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX2'
_diffrn_measurement_method       'phi and omega 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  0.0302
_diffrn_reflns_av_sigmaI/netI    0.0298
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12583
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.58
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    6.516
_exptl_absorpt_correction_T_max  0.5619
_exptl_absorpt_correction_T_min  0.1617
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2009)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.999
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             364
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.681
_refine_diff_density_min         -0.391
_refine_diff_density_rms         0.074
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.259(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     162
_refine_ls_number_reflns         3461
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0214
_refine_ls_R_factor_gt           0.0191
_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^)+(0.0163P)^2^+0.1916P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0429
_refine_ls_wR_factor_ref         0.0436
_reflns_number_gt                3290
_reflns_number_total             3461
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10540j.txt
_cod_data_source_block           x82561
_cod_original_cell_volume        631.58(13)
_cod_original_sg_symbol_H-M      P21
_cod_database_code               7016244