Bis(μ-diisopropylhydoxylaminato)-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>O</i>:<i>O</i>-bis[(diisopropylhydoxylaminato-κ<i>O</i>)beryllium]
Berger, Raphael Johann Friedrich; Jana, Surajit; Monkowius, Uwe; Mitzel, Norbert Werner; Acta Crystallographica Section E 68 (2012) m1463–; doi:10.1107/S1600536812045655

data_2237062
_publ_section_title
;
 Bis(\m-diisopropylhydoxylaminato)-\k^2^<i>O</i>:<i>N</i>;\k^2^<i>O</i>:<i>O</i>-bis[(diisopropylhydoxylaminato-\k<i>O</i>)beryllium]
;
_journal_coeditor_code           WM2695
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1463
_journal_paper_doi               10.1107/S1600536812045655
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Be2 (C6 H14 N O)4]'
_chemical_formula_moiety         'C24 H56 Be2 N4 O4'
_chemical_formula_sum            'C24 H56 Be2 N4 O4'
_chemical_formula_weight         482.75
_chemical_name_systematic
;
Bis(\m-diisopropylhydoxylaminato)-
\k^2^<i>O</i>:<i>N</i>;\k^2^<i>O</i>:<i>O</i>-
bis[(diisopropylhydoxylaminato-\k<i>O</i>)beryllium]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                98.82(2)
_cell_angle_beta                 97.42(2)
_cell_angle_gamma                102.42(2)
_cell_formula_units_Z            2
_cell_length_a                   8.2156(17)
_cell_length_b                   13.248(3)
_cell_length_c                   14.317(3)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      25.2
_cell_measurement_theta_min      4.3
_cell_volume                     1482.4(6)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2012)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2012)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2012)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.919
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       rotation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1620
_diffrn_reflns_av_sigmaI/netI    0.1199
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20278
_diffrn_reflns_theta_full        25.77
_diffrn_reflns_theta_max         25.77
_diffrn_reflns_theta_min         4.21
_exptl_absorpt_coefficient_mu    0.071
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.081
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.174
_refine_diff_density_min         -0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     323
_refine_ls_number_reflns         5220
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.977
_refine_ls_R_factor_all          0.1557
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0603P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1270
_refine_ls_wR_factor_ref         0.1688
_reflns_number_gt                2359
_reflns_number_total             5220
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm2695.cif
_cod_data_source_block           I
_cod_original_cell_volume        1482.5(5)
_cod_database_code               2237062
_cod_database_fobs_code          2237062