Tetrapalladium(II) Bisazobenzene and Azoazoxybenzene Complexes: Syntheses, Electronic Structures, and Optical Properties
Blackburn, Octavia A.; Coe, Benjamin J.; Helliwell, Madeleine; Organometallics 30 (2011) 4910–; doi:10.1021/om200479g

data_4064988
_publ_section_title
;
 Tetrapalladium(II) Bisazobenzene and Azoazoxybenzene Complexes:
 Syntheses, Electronic Structures, and Optical Properties
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4910
_journal_paper_doi               10.1021/om200479g
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C31 H41 N5 O2'
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 87.528(3)
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_cell_length_c                   27.180(4)
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_cell_measurement_temperature    100(2)
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_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
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_diffrn_measured_fraction_theta_max 0.997
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_diffrn_reflns_limit_l_min       -30
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_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0639
_refine_ls_wR_factor_ref         0.0796
_reflns_number_gt                1891
_reflns_number_total             3978
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200479g_si_002.cif
_cod_data_source_block           15H2
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 

 Adding full bibliography for 4064987--4064989.cif.
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_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4064988