Ln(AlMe~4~)~3~ as New Synthetic Precursors in Organolanthanide Chemistry: Efficient Access to Half-Sandwich Hydrocarbyl Complexes
Dietrich, M. H.; Zapilko, C.; Herdtweck, E.; Anwander, R.; Organometallics 24 (2005) 5767–5771; doi:10.1021/om0506163

data_4061749
_publ_section_title
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Ln(AlMe~4~)~3~ as New Synthetic Precursors in Organolanthanide Chemistry:
Efficient Access to Half-Sandwich Hydrocarbyl Complexes
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5767
_journal_page_last               5771
_journal_paper_doi               10.1021/om0506163
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C18 H39 Al2 La'
_chemical_formula_sum            'C18 H39 Al2 La'
_chemical_formula_weight         448.36
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.6850(1)
_cell_length_b                   18.1332(1)
_cell_length_c                   17.2624(1)
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_cell_measurement_temperature    143(1)
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_cell_volume                     4596.74(5)
_computing_cell_refinement       'DENZO (Nonius, 2001b)'
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_computing_structure_refinement  'SHELXL97 (Sheldrick, 1998)'
_computing_structure_solution    'SIR92 (Altomare, 1994)'
_diffrn_ambient_temperature      143(1)
_diffrn_detector                 'CCD plate'
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_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Nonius \k-CCD diffractometer'
_diffrn_measurement_method       'phi- and omega-rotation'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'NONIUS FR 591 rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.057
_diffrn_reflns_av_sigmaI/netI    0.0152
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_theta_full        25.38
_diffrn_reflns_theta_max         25.38
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.930
_exptl_absorpt_correction_T_max  0.480
_exptl_absorpt_correction_T_min  0.358
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'(applied during the scaling procedure; Nonius, 2001b)'
_exptl_crystal_colour            colorless
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_exptl_crystal_density_meas      ?
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_exptl_crystal_size_max          0.64
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_refine_diff_density_max         0.855
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_refine_ls_extinction_coef       0.00124(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_hydrogen_treatment    refall
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0222
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(Fo^2^)+(0.0258P)^2^+3.1246P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0504
_refine_ls_wR_factor_ref         0.0537
_reflns_number_gt                3487
_reflns_number_total             4219
_reflns_threshold_expression     I>2\s(I)
_cod_depositor_comments
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The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3105 2015-03-04 15:46:00Z robertas 
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_cod_database_code               4061749