Synthesis and characterization of an iron(II) eta(2)-hydrazine complex.
Crossland, Justin L.; Zakharov, Lev N.; Tyler, David R.; Inorganic chemistry 46 (2007) 10476–10478; doi:10.1021/ic702007r

data_4339298
_publ_section_title
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 Synthesis and characterization of an iron(II) eta(2)-hydrazine complex.
;
_journal_issue                   25
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10476
_journal_page_last               10478
_journal_paper_doi               10.1021/ic702007r
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C84 H124 B2 Fe N2 O8 P4'
_chemical_formula_weight         1491.20
_space_group_IT_number           14
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_cell_formula_units_Z            4
_cell_length_a                   15.7238(13)
_cell_length_b                   13.7996(12)
_cell_length_c                   37.097(3)
_cell_measurement_reflns_used    6212
_cell_measurement_temperature    173(2)
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_cell_volume                     8045.9(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            58835
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_exptl_absorpt_coefficient_mu    0.322
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.778
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3208
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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^)+(0.0514P)^2^+4.0126P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1099
_refine_ls_wR_factor_ref         0.1238
_reflns_number_gt                10546
_reflns_number_total             14153
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702007r-file003.cif
_cod_data_source_block           just1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        8045.8(12)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4339298