Synthesis and Characterization of Binucleating Bis(amidinate) Ligands and Their Dialuminum Complexes
Bronya Clare; Niladri Sarker; Richard Shoemaker; John R. Hagadorn; Inorganic Chemistry 43 (2004) 1159–1166; doi:10.1021/ic035035p

data_4310552
_publ_contact_author_address     '215 UCB, Boulder, CO, 80309-0215, USA'
_publ_contact_author_name        'John R. Hagadorn'
_publ_section_title
;
 Synthesis and Characterization of Binucleating Bis(amidinate) Ligands and
 Their Dialuminum Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1159
_journal_page_last               1166
_journal_paper_doi               10.1021/ic035035p
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C30 H46 N4 O2'
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_chemical_name_common            iPr-L-DBF-H2
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
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_cell_length_b                   8.6297(17)
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_computing_molecular_graphics    'SHELXTL, Bruker'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      135(2)
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_diffrn_measurement_device_type  'Siemens SMART CCD'
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_diffrn_reflns_limit_h_min       -22
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_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
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_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_T_max  1.000
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
absorption correction applied using SADABS 
(Blessing, R. H. Acta Crystallogr., Sect. A 1995, 51, 33-38) 
;
_exptl_crystal_colour            colorless
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_exptl_crystal_density_method    'not measured'
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_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.1095P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1620
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_reflns_number_gt                1735
_reflns_number_total             2620
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic035035psi20031120_045438_1.cif
_cod_data_source_block           jrh006
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'multiscan' changed to 'multi-scan'
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 
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_cod_original_cell_volume        2957.9(10)
_cod_database_code               4310552