Synthesis, Characterization, and Mass Transport Properties of a Self-Generating Single-Source Magnesium Precursor for MOCVD of MgF2Films
Fragalà, Maria E.; Toro, Roberta G.; Rossi, Patrizia; Dapporto, Paolo; Malandrino, Graziella; Chemistry of Materials 21 (2009) 2062–; doi:10.1021/cm802923w

data_4000978
_publ_section_title
;
 Synthesis, Characterization, and Mass Transport Properties of a
 Self-Generating Single-Source Magnesium Precursor for MOCVD of MgF2Films
;
_journal_issue                   10
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2062
_journal_paper_doi               10.1021/cm802923w
_journal_volume                  21
_journal_year                    2009
_chemical_formula_moiety         '(C5 H1 O2 F6 -1)2, (Mg +2), (C6 H14 O3)2'
_chemical_formula_sum            'C22 H34 F12 Mg O12'
_chemical_formula_weight         742.80
_chemical_name_systematic
;
 ?
;
_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                110.44(5)
_cell_angle_beta                 108.64(4)
_cell_angle_gamma                97.06(3)
_cell_formula_units_Z            1
_cell_length_a                   8.952(3)
_cell_length_b                   9.036(3)
_cell_length_c                   11.98(1)
_cell_measurement_temperature    200
_cell_volume                     829.9(9)
_computing_cell_refinement       'Nonius MACH3'
_computing_data_collection       'Nonius MACH3'
_computing_data_reduction        'WINGX (Farrugia, 1999)'
_computing_molecular_graphics    'ORTEP-3 (Farruggia, 1997)'
_computing_publication_material  'PARST97 (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, 1999)'
_diffrn_ambient_temperature      200
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf Nonius CAD4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0174
_diffrn_reflns_av_sigmaI/netI    0.0165
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3061
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         2.50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.174
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.92
_exptl_absorpt_correction_type   'REFDELF (WALKER and STUART, 1983)'
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             382
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.38
_refine_diff_density_max         1.009
_refine_diff_density_min         -0.597
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       0.030(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         2911
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.080
_refine_ls_R_factor_gt           0.0773
_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^)+(0.0892P)^2^+0.2203P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2212
_refine_ls_wR_factor_ref         0.2338
_reflns_number_gt                2454
_reflns_number_total             2911
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm802923w_si_001.cif
_cod_data_source_block           Mg(hfa)2.2H2O.2diglyme
_cod_original_cell_volume        829.9(8)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C22 H34 F12 Mg1 O12'
_cod_database_code               4000978