A Zn(ii) coordination polymer and its photocycloaddition product: syntheses, structures, selective luminescence sensing of iron(iii) ions and selective absorption of dyes.
Hu, Fei-Long; Shi, Yi-Xiang; Chen, Huan-Huan; Lang, Jian-Ping; Dalton transactions (Cambridge, England : 2003) 44 (2015) 18795–18803; doi:10.1039/c5dt03094c

data_7036664
_publ_section_title
;
 A Zn(ii) coordination polymer and its photocycloaddition product:
 syntheses, structures, selective luminescence sensing of iron(iii) ions
 and selective absorption of dyes.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18795
_journal_page_last               18803
_journal_paper_doi               10.1039/c5dt03094c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C68 H56 N4 O14 Zn2'
_chemical_formula_weight         1283.95
_chemical_name_systematic
; 
 ? 
;
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_audit_update_record
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2015-09-12 deposited with the CCDC.
2015-09-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.590(2)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
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_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           CuK\a
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_exptl_absorpt_coefficient_mu    1.620
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_exptl_absorpt_correction_T_min  0.7170
_exptl_absorpt_correction_type   multi-scan
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.22
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_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.537
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         9914
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_gt           0.0830
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1312P)^2^+6.4523P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2321
_refine_ls_wR_factor_ref         0.2397
_reflns_number_gt                8425
_reflns_number_total             9914
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03094c2.cif
_cod_data_source_block           g150306b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7036664--7036665.cif.
;
_cod_original_cell_volume        2923.91(18)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7036664