Visible-light-induced controlled radical polymerization of methacrylates mediated by a pillared-layer metal‒organic framework
Liu, Yue; Chen, Dashu; Li, Xingyu; Yu, Ziyang; Xia, Qiansu; Liang, Desheng; Xing, Hongzhu; Green Chem. 18 (2016) 1475–; doi:10.1039/C5GC02620B

data_7223770
_publ_section_title
;
 Visible-light-induced controlled radical polymerization of methacrylates
 mediated by a pillared-layer metal--organic framework
;
_journal_issue                   6
_journal_name_full               'Green Chem.'
_journal_page_first              1475
_journal_paper_doi               10.1039/C5GC02620B
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C75 H47 N5 O9 Zn2'
_chemical_formula_sum            'C75 H47 N5 O9 Zn2'
_chemical_formula_weight         1292.96
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-07-06 deposited with the CCDC.
2015-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 109.02
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.525
_cell_length_b                   29.966
_cell_length_c                   14.784
_cell_measurement_temperature    293(2)
_cell_volume                     11947.147
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1054
_diffrn_reflns_av_sigmaI/netI    0.1595
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            33906
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    0.863
_exptl_absorpt_correction_T_max  0.9211
_exptl_absorpt_correction_T_min  0.8506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5312
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.423
_refine_diff_density_min         -0.857
_refine_diff_density_rms         0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     821
_refine_ls_number_reflns         12815
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.2260
_refine_ls_R_factor_gt           0.1421
_refine_ls_shift/su_max          0.054
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1166P)^2^+549.0451P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3663
_refine_ls_wR_factor_ref         0.4121
_reflns_number_gt                6624
_reflns_number_total             12815
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5gc02620b2.cif
_cod_data_source_block           c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7223770.cif.
;
_cod_original_cell_volume        11947.1
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7223770