Well-defined hydrocarbon soluble strontium fluoride and chloride complexes of composition [LSr(thf)(micro-F)2Sr(thf)2L] and [LSr(thf)(micro-Cl)2Sr(thf)2L].
Sarish, Sankaranarayana Pillai; Roesky, Herbert W; John, Michael; Ringe, Arne; Magull, Jörg; Chemical communications (Cambridge, England) 34 (2009) 2390–2392; doi:10.1039/b822148k

data_7104359
_publ_section_title
;
 Well-defined hydrocarbon soluble strontium fluoride and chloride
 complexes of composition [LSr(thf)(micro-F)2Sr(thf)2L] and
 [LSr(thf)(micro-Cl)2Sr(thf)2L].
;
_journal_issue                   17
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2390
_journal_page_last               2392
_journal_paper_doi               10.1039/b822148k
_journal_volume                  34
_journal_year                    2009
_chemical_formula_sum            'C147 H220 Cl4 N8 O6 Sr4'
_chemical_formula_weight         2687.59
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 98.945(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   53.0398(12)
_cell_length_b                   12.2780(3)
_cell_length_c                   22.2041(5)
_cell_measurement_reflns_used    67206
_cell_measurement_temperature    133(2)
_cell_volume                     14284.0(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0953
_diffrn_reflns_av_sigmaI/netI    0.0752
_diffrn_reflns_limit_h_max       66
_diffrn_reflns_limit_h_min       -60
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            65549
_diffrn_reflns_theta_full        26.59
_diffrn_reflns_theta_max         26.59
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    1.616
_exptl_absorpt_correction_T_max  0.8231
_exptl_absorpt_correction_T_min  0.7214
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   X-AREA
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5704
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.089
_exptl_crystal_size_min          0.066
_refine_diff_density_max         0.715
_refine_diff_density_min         -0.539
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     773
_refine_ls_number_reflns         14872
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0917
_refine_ls_R_factor_gt           0.0590
_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^)+(0.0323P)^2^+7.9431P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0887
_refine_ls_wR_factor_ref         0.0960
_reflns_number_gt                10992
_reflns_number_total             14872
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b822148k.txt
_cod_data_source_block           ss011
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7104359