Syntheses, structures and properties of five entangled coordination polymers constructed with trigonal N-donor ligands
Chen, Yu; Yang, Juan; Wang, Xichi; Xu, Yuci; Xu, Huiling; Zeng, Xiaoshan; Xiao, Dongrong; RSC Adv.  (2016) –; doi:10.1039/C5RA19086J

data_7223814
_publ_section_title
;
 Syntheses, structures and properties of five entangled coordination
 polymers constructed with trigonal N-donor ligands
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA19086J
_journal_year                    2016
_chemical_formula_moiety         'C27 H20 Co1.5 N6 O7'
_chemical_formula_sum            'C27 H20 Co1.5 N6 O7'
_chemical_formula_weight         628.88
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
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Olex2 1.2
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2015-06-17 deposited with the CCDC.
2016-01-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 130.063(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_c                   20.1709(4)
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_cell_measurement_temperature    289.73(14)
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_cell_measurement_theta_min      4.3900
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_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
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  1 omega    1.00   76.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
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  2 omega   57.00  109.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
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  3 omega    1.00   76.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203  -99.0000  -30.0000 75

  4 omega   10.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   77.0000   30.0000 94

  5 omega  -31.00   63.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203  -77.0000   30.0000 94

  6 omega   10.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   77.0000  150.0000 94

  7 omega  -31.00   53.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
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  8 omega   18.00  106.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   38.0000  -30.0000 88

  9 omega   20.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   57.0000  -90.0000 84

 10 omega   39.00  110.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -95.0000   90.0000 71

 11 omega   40.00   98.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000  -60.0000 58

 12 omega   38.00   91.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000 -180.0000 53

 13 omega   91.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000   60.0000 85

 14 omega   39.00  110.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -95.0000  120.0000 71

 15 omega   38.00   91.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000   60.0000 53

 16 omega   39.00  177.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000    0.0000  -90.0000 138

 17 omega   40.00  135.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000  -90.0000 95

 18 omega   38.00   91.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000 -120.0000 53

 19 omega   40.00  135.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000 -150.0000 95

 20 omega   39.00  110.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -95.0000  150.0000 71

 21 omega   38.00   91.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000  120.0000 53

 22 omega   91.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000  120.0000 85

 23 omega   40.00   98.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000    0.0000 58

 24 omega   38.00  116.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -112.0000  -60.0000 78

 25 omega   40.00   98.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000  120.0000 58

 26 omega   39.00  110.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -95.0000   30.0000 71

 27 omega   10.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   77.0000  -60.0000 94

 28 omega  -32.00   56.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203  -38.0000  150.0000 88

 29 omega   20.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   57.0000    0.0000 84

 30 omega   20.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   57.0000  120.0000 84

 31 omega   10.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   77.0000  120.0000 94

 32 omega   10.00  104.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203   77.0000 -150.0000 94

 33 omega  -32.00   56.00   1.0000    1.6800
omega____ theta____ kappa____ phi______ frames
    -       36.7203  -38.0000 -120.0000 88

 34 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  120.0000 95

 35 omega   91.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000 -150.0000 85

 36 omega   91.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000   90.0000 85

 37 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000 -120.0000 95

 38 omega   90.00  175.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   61.0000 -180.0000 85

 39 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000    0.0000 95

 40 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  -90.0000 95

 41 omega   90.00  175.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   61.0000   30.0000 85

 42 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  150.0000 95

 43 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000 -150.0000 95

 44 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  -60.0000 95

 45 omega   81.00  176.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  -30.0000 95

 46 omega   90.00  149.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   61.0000   90.0000 59

 47 omega   70.00  178.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   15.0000    0.0000 108
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_diffrn_source                   'sealed X-ray tube'
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark violet'
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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^)+(0.0543P)^2^+3.6240P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            c5ra19086j2.cif
_cod_data_source_block           compound-2
_cod_original_cell_volume        5058.8(2)
_cod_original_formula_sum        'C27 H20 Co1.50 N6 O7'
_cod_database_code               7223814
_shelxl_version_number           2014-1
_chemical_oxdiff_formula         'C1 H1 N1 O1 Co1'
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_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
;
_olex2_date_sample_data_collection 1413190953.28
_olex2_submission_special_instructions 'No special instructions were received'