Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols
Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki; New Journal of Chemistry 28 (2004) 26–; doi:10.1039/b306699a

data_7050139
_publ_section_title
;
 Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional
 variation in ferrocenylpyrimidine complexes with carboxylic acids and
 aromatic alcohols
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              26
_journal_paper_doi               10.1039/b306699a
_journal_volume                  28
_journal_year                    2004
_chemical_formula_sum            'C38 H30 Fe2 N4 O8'
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_cell_angle_beta                 94.10(2)
_cell_angle_gamma                90
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_cell_length_c                   19.390(3)
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_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.7
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_diffrn_standards_decay_%        0.97
_diffrn_standards_interval_count 300
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_exptl_absorpt_coefficient_mu    0.941
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_exptl_absorpt_correction_T_min  0.872
_exptl_absorpt_correction_type   psi-scan
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_exptl_crystal_colour            orange
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
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_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.15000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
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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        3302(1)
_cod_original_formula_sum        'C38 H30 Fe2 N4 O8 '
_cod_database_code               7050139