A rare earth alloy as a synthetic reagent: contrasting homometallic rare earth and heterobimetallic outcomes
Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Leary, Stuart G.; New Journal of Chemistry 30 (2006) 592–; doi:10.1039/b600868b

data_7052253
_publ_section_title
;
 A rare earth alloy as a synthetic reagent: contrasting homometallic
 rare earth and heterobimetallic outcomes
;
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              592
_journal_paper_doi               10.1039/b600868b
_journal_volume                  30
_journal_year                    2006
_chemical_formula_moiety         'C60 H48 La2 N18'
_chemical_formula_sum            'C60 H48 La2 N18'
_chemical_formula_weight         1298.98
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_cell_angle_gamma                90.00
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_cell_length_b                   16.9265(2)
_cell_length_c                   20.0193(2)
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_cell_measurement_temperature    123(2)
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_cell_measurement_theta_min      3.71
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_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
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_computing_molecular_graphics    'X-Seed / POV-Ray'
_computing_publication_material  'Microsoft Office 2000'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'psi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -26
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_exptl_absorpt_correction_T_max  0.6887
_exptl_absorpt_correction_T_min  0.6887
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SORTAV
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.039
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.018(13)
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_refine_ls_number_reflns         11588
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_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0279
_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^)+(0.0258P)^2^+3.5050P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0597
_refine_ls_wR_factor_ref         0.0665
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_reflns_threshold_expression     >2sigma(I)
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c:\cforsyth\craig\ladpy\ladpy2\ladpy2ab\ladpy2ab
_cod_original_cell_volume        5428.3(1)
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_cod_database_code               7052253