Tetrakis[(<i>R</i>)-lactamide-κ^2^<i>O</i>,<i>O</i>']strontium(II) dibromide
Lemoine, Pascale; Viossat, Bernard; Brion, Jean Daniel; Bekaert, Alain; Acta Crystallographica Section E 63 (2007) m2844–m2845; doi:10.1107/S1600536807052646

data_2215762
_publ_section_title
;
 Tetrakis[(<i>R</i>)-lactamide-\k^2^<i>O</i>,<i>O</i>']strontium(II)
 dibromide
;
_journal_coeditor_code           BG2119
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2844
_journal_page_last               m2845
_journal_paper_doi               10.1107/S1600536807052646
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sr (C3 H7 N O2)4] Br2'
_chemical_formula_moiety         'C12 H28 N4 O8 Sr 2+, 2(Br -)'
_chemical_formula_sum            'C12 H28 Br2 N4 O8 Sr'
_chemical_formula_weight         603.82
_chemical_name_common
;
Tetrakis[(<i>R</i>)-lactamide-\k^2^<i>O</i>,<i>O</i>']strontium(II) dibromide
;
_chemical_name_systematic
;Tetrakis[(<i>R</i>)-propionamide-\k^2^<i>O</i>,<i>O</i>']strontium(II)
 dibromide
;
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.385(2)
_cell_length_b                   17.919(2)
_cell_length_c                   6.3080(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      10.35
_cell_measurement_theta_min      3.23
_cell_volume                     1173.8(3)
_computing_cell_refinement       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'CAMERON (Watkin <i>et al.</i>,  1996)'
_computing_publication_material  'WinGX (Version 1.63.02; Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w--2\q
_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  0.0671
_diffrn_reflns_av_sigmaI/netI    0.0871
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7106
_diffrn_reflns_theta_full        30.04
_diffrn_reflns_theta_max         30.04
_diffrn_reflns_theta_min         2.27
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.741
_exptl_absorpt_correction_T_max  0.50
_exptl_absorpt_correction_T_min  0.27
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
[multi-scan (Blessing, 1995)]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.679
_refine_diff_density_min         -1.769
_refine_ls_abs_structure_details 'Flack (1983), 1415 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.017(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     130
_refine_ls_number_reflns         3407
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.0906
_refine_ls_R_factor_gt           0.0454
_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^)+(0.0439P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.974
_refine_ls_wR_factor_ref         0.1108
_reflns_number_gt                2379
_reflns_number_total             3407
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg2119.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     P22ab
_cod_original_formula_sum        'C12 H28 Br2 N4 O8 Sr1'
_cod_database_code               2215762
_cod_database_fobs_code          2215762