Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes
Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert; New Journal of Chemistry 45 (2021) 972–981; doi:10.1039/D0NJ05007E

data_7060187
_publ_section_title
;
 Synthesis, structure, and catalytic activity of dinuclear aluminium
 bis(amidinate) and bis(guanidinate) complexes
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              972
_journal_page_last               981
_journal_paper_doi               10.1039/D0NJ05007E
_journal_volume                  45
_journal_year                    2021
_chemical_formula_moiety         'C42 H60 Al2 Cl4 N4'
_chemical_formula_sum            'C42 H60 Al2 Cl4 N4'
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_space_group_name_Hall           '-P 2ybc'
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_audit_update_record
;
2020-10-09 deposited with the CCDC.	2020-11-10 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_measurement_temperature    123(2)
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_cell_measurement_theta_min      3.794
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_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
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_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_av_unetI/netI     0.0194
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_k_min       -19
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_source                   'micro-focus sealed X-ray tube'
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; 
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015) 
Numerical absorption correction based on gaussian integration over 
   a multifaceted crystal model 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.206
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0395P)^2^+1.6229P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0771
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                7842
_reflns_number_total             8841
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           FO7096_7d
_cod_depositor_comments
'Adding full bibliography for 7060181--7060191.cif.'
_cod_original_cell_volume        4498.60(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7060187
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.482
_shelx_estimated_absorpt_t_max   0.720
_shelx_res_checksum              33573