Selective Dehydrogenation of Amines with Respect to Coordination Geometry: Different Oxidation Products of Tricyano[bis(2-pyridylmethyl)amine]ferrate(II) between mer- and fac-Isomers
Masafumi Goto; Nobuhiro Koga; Yasuhiko Ohse; Yuka Kudoh; Michiko Kukihara; Yoshinori Okuno; Hiromasa Kurosaki; Inorganic Chemistry 43 (2004) 5120–5127; doi:10.1021/ic035289a

data_4311386
_publ_contact_author_address
;
    Graduate School of Pharmaceutical Sciences, Kumamoto University,
    Oe-honmachi 5-1, Kumamoto, 862-0973, Japan 
;
_publ_contact_author_email       ' ayasaya@gpo.kumamoto-u.ac.jp '
_publ_contact_author_fax         ' +81-96-371-4314 '
_publ_contact_author_name        ' Hiromasa Kurosaki'
_publ_contact_author_phone       ' +81-96-371-4315 '
_publ_section_title
;
 Selective Dehydrogenation of Amines with Respect to Coordination
 Geometry: Different Oxidation Products of
 Tricyano[bis(2-pyridylmethyl)amine]ferrate(II) between mer- and
 fac-Isomers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5120
_journal_page_last               5127
_journal_paper_doi               10.1021/ic035289a
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C7 H13 Fe N6 O'
_chemical_formula_weight         253.07
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
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_audit_creation_date             'Thu Mar 18 16:14:23 2004'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 91.96(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   13.340(5)
_cell_length_c                   10.429(3)
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_cell_measurement_theta_max      16.1
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_cell_volume                     1159.0(8)
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_computing_publication_material  'teXsan Ver. 1.11'
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_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            2968
_diffrn_standards_decay_%        0.52
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.286
_exptl_absorpt_correction_T_max  0.926
_exptl_absorpt_correction_T_min  0.784
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.450
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PLATE
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_exptl_crystal_size_mid          0.210
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00005|Fo|^2^]'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
;
The following automatic conversions were performed:
data name '_geom_hbond_site_distance_dh' replaced with
'_geom_hbond_distance_DH' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_hbond_site_distance_ha' replaced with
'_geom_hbond_distance_HA' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_hbond_site_distance_da' replaced with
'_geom_hbond_distance_DA' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 5005 2017-03-03 11:38:54Z antanas 
;
_cod_original_cell_volume        1159.1(7)
_cod_original_formula_sum        'C7 H13 Fe N6 O '
_cod_database_code               4311386