Stability and Porosity Enhancement through Concurrent Ligand Extension and Secondary Building Unit Stabilization
Sun, Daofeng; Ke, Yanxiong; Mattox, Tracy M.; Parkin, Sean; Zhou, Hong-Cai; Inorganic Chemistry 45 (2006) 7566–7568; doi:10.1021/ic0609002

data_4332822
_publ_section_title
;
 Stability and Porosity Enhancement through Concurrent Ligand Extension
 and Secondary Building Unit Stabilization
;
_journal_issue                   19
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7566
_journal_page_last               7568
_journal_paper_doi               10.1021/ic0609002
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'Zn4 2(O H) 2(C45 H27 O6) 2(C5 H5 N) 2(H2 O)'
_chemical_formula_sum            'C100 H70 N2 O16 Zn4'
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_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           33
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_cell_angle_gamma                90.00
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_cell_length_c                   40.3822(18)
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_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      21.69
_cell_measurement_theta_min      2.24
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
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_diffrn_reflns_theta_max         28.32
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'calc w=1/[\s^2^(Fo^2^)+(0.0816P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0609002sup1.cif
_cod_data_source_block           xamd469s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Orthorhombic' changed to 'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        16786.5(14)
_cod_original_sg_symbol_H-M      Pna2(1)
_cod_database_code               4332822