Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal–organic and supramolecular networks
Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.; CrystEngComm 19 (2017) 117–; doi:10.1039/C6CE02115H

data_7227144
_publ_section_title
;
 Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block
 for the hydrothermal self-assembly of diverse metal--organic and
 supramolecular networks
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              117
_journal_paper_doi               10.1039/C6CE02115H
_journal_volume                  19
_journal_year                    2017
_chemical_formula_moiety         'C26 H20 N2 O10 Zn, 2(H2 O)'
_chemical_formula_sum            'C26 H24 N2 O12 Zn'
_chemical_formula_weight         621.84
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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Olex2 1.2
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2016-11-11 deposited with the CCDC.
2016-11-21 downloaded from the CCDC.
;
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CrysAlisPro, Agilent Technologies,
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  1 omega  -16.00   89.60   1.2000   16.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega  -13.00   24.20   1.2000   16.0000
omega____ theta____ kappa____ phi______ frames
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  3 omega  -86.00  -50.00   1.2000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      -24.0420  -57.0000    0.0000 30

  4 omega   35.00  110.60   1.2000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       27.0108  178.0000  150.0000 63
;
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_diffrn_reflns_theta_min         3.259
_diffrn_source                   'SuperNova (Mo) X-ray Source'
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            'clear light colourless'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0575P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1206
_refine_ls_wR_factor_ref         0.1319
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2190
_reflns_number_total             3635
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           compound_2
_cod_depositor_comments
'Adding full bibliography for 7227139--7227149.cif.'
_cod_database_code               7227144