Multiple C-H Bond Activation in Group 3 Chemistry: Synthesis and Structural Characterization of an Yttrium-Aluminum-Methine Cluster
H. Martin Dietrich; Hilde Grove; Karl W. Törnroos; Reiner Anwander; Journal of the American Chemical Society 128 (2006) 1458–1459; doi:10.1021/ja057618z

data_4110391
_publ_contact_author_address
;
Department of Chemistry
University of Bergen
All\'egaten 41
N-5007 Bergen
Norway
;
_publ_contact_author_name        'Reiner Anwander'
_publ_section_title
;
 Multiple C-H Bond Activation in Group 3 Chemistry: Synthesis and
 Structural Characterization of an Yttrium-Aluminum-Methine Cluster
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1458
_journal_page_last               1459
_journal_paper_doi               10.1021/ja057618z
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety         'C12 H21 Y'
_chemical_formula_sum            'C12 H21 Y'
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_chemical_name_systematic
; 
 ? 
;
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_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   12.2527(3)
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_cell_length_c                   14.5191(7)
_cell_measurement_reflns_used    17572
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      29.96
_cell_measurement_theta_min      2.28
_cell_volume                     1887.70(11)
_computing_cell_refinement
;
Bruker (2001). SAINT, version 6.02a, Bruker AXS Inc., Madison, 
Wisconsin, USA.
;
_computing_data_collection
;
Bruker (1999). SMART, version 5.059, Bruker AXS Inc., Madison, 
Wisconsin, USA.
;
_computing_data_reduction
;
Bruker (2001). SAINT, version 6.02a, Bruker AXS Inc., Madison, 
Wisconsin, USA.
;
_computing_molecular_graphics
;
Bruker AXS (2003). SHELXTL. Version 6.14. Bruker AXS Inc., Madison, 
Wisconsin, USA.
;
_computing_publication_material
;
Bruker AXS (2003). SHELXTL. Version 6.14. Bruker AXS Inc., Madison, 
Wisconsin, USA.
;
_computing_structure_refinement
;
Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of 
G\"ottingen, Germany.
;
_computing_structure_solution
;     
Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of 
G\"ottingen, Germany. 
;
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean '48 \um'
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker-AXS SMART 2K CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       17
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_diffrn_standards_decay_%        0
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_diffrn_standards_interval_time  '28 h'
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_exptl_absorpt_coefficient_mu    4.593
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_exptl_absorpt_process_details
; 
Bruker AXS (2003). SHELXTL. Version 6.14. 
Bruker AXS Inc., Madison, Wisconsin, USA. 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_description       'long prism'
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_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.085
_refine_diff_density_min         -1.088
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         1911
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_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0395
_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^)+(0.0514P)^2^+4.7410P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1003
_refine_ls_wR_factor_ref         0.1087
_reflns_number_gt                1643
_reflns_number_total             1911
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