Improving coloration time and moisture stability of photochromic viologen‒carboxylate zwitterions
Guo, Pei-Yu; Sun, Cai; Zhang, Ning-Ning; Cai, Li-Zhen; Wang, Ming-Sheng; Guo, Guo-Cong; New Journal of Chemistry 42 (2018) 15466–; doi:10.1039/C8NJ02326C

data_7057655
_publ_section_title
;
 Improving coloration time and moisture stability of photochromic
 viologen--carboxylate zwitterions
;
_journal_issue                   18
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              15466
_journal_paper_doi               10.1039/C8NJ02326C
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety         'C8 H8 Cl2 N O2 Zn'
_chemical_formula_sum            'C8 H8 Cl2 N O2 Zn'
_chemical_formula_weight         286.42
_chemical_properties_physical    Photo-sensitive
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_hydrogens   geom
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-02-03 deposited with the CCDC.
2018-08-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_data_collection
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_data_reduction
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 5.8140
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Pilatus 200K'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -15
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_diffrn_source                   'Rotating Anode'
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_exptl_absorpt_correction_T_max  1.000
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_exptl_absorpt_process_details   'Sphere (Rigaku CrystalClear)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.795
_exptl_crystal_description       Prism
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_refine_ls_number_restraints     0
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_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0306P)^2^+0.7005P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0648
_refine_ls_wR_factor_ref         0.0706
_reflns_Friedel_coverage         0.997
_reflns_Friedel_fraction_full    0.990
_reflns_Friedel_fraction_max     0.988
_reflns_number_gt                1883
_reflns_number_total             2433
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj02326c2.cif
_cod_data_source_block           14
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7057654--7057655.cif.
;
_cod_database_code               7057655
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              24827