Dialkylaluminum Hydrazides Derived from Free Hydrazine N2H4. Molecular Structures of [(Me3C)2AlN2H3]2 and [(Me3C)2Al]4(N2H2)2
Werner Uhl; Jens Molter; Bernhard Neumüller; Inorganic Chemistry 40 (2001) 2011–2014; doi:10.1021/ic000969o

data_4319542
_publ_contact_author
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        Prof. Dr. Werner Uhl
        Phillips-Universit\"at Marburg
        Fachbereich Chemie
        Hans-Meerwein-Strasse
        D-35043 Marburg
        Bundesrepublik Deutschland
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_publ_contact_author_email       'Uhl@chemie.uni-marburg.de '
_publ_contact_author_fax         '049 6421 2828917'
_publ_contact_author_phone       '049 6421 2825751'
_publ_section_title
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 Dialkylaluminum Hydrazides Derived from Free Hydrazine N2H4. Molecular
 Structures of [(Me3C)2AlN2H3]2 and [(Me3C)2Al]4(N2H2)2
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2011
_journal_page_last               2014
_journal_paper_doi               10.1021/ic000969o
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C32 H76 Al4 N4'
_chemical_formula_weight         624.89
_chemical_name_systematic
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?
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_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                82.2500(10)
_cell_angle_beta                 69.5700(10)
_cell_angle_gamma                71.7700(10)
_cell_formula_units_Z            1
_cell_length_a                   9.4080(10)
_cell_length_b                   10.8260(10)
_cell_length_c                   11.6940(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1059.67(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.940
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3918
_diffrn_reflns_theta_full        25.29
_diffrn_reflns_theta_max         25.29
_diffrn_reflns_theta_min         2.41
_exptl_absorpt_coefficient_mu    0.133
_exptl_crystal_density_diffrn    0.979
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             348
_refine_diff_density_max         0.367
_refine_diff_density_min         -0.241
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3622
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0530
_refine_ls_shift/su_max          0.118
_refine_ls_shift/su_mean         0.013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0776P)^2^+0.4004P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1347
_refine_ls_wR_factor_ref         0.1518
_reflns_number_gt                2677
_reflns_number_total             3622
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000969o_2.cif
_cod_data_source_block           structure_2
_cod_depositor_comments
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The following automatic conversions were performed:
data name '_publ_contact_autor' replaced with '_publ_contact_author'
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'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 4998 2017-03-02 13:24:31Z antanas 
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_cod_database_code               4319542