Anion-dependent assembly of four sensitized near-infrared luminescent heteronuclear Zn(II)-Yb(III) Schiff base complexes from a trinuclear Zn(II) complex.
Zheng, Zhi-Peng; Ou, Yan-Jun; Hong, Xu-Jia; Wei, Lei-Ming; Wan, Lin-Tao; Zhou, Wo-Hua; Zhan, Qing-Guang; Cai, Yue-Peng; Inorganic chemistry 53 (2014) 9625–9632; doi:10.1021/ic501118b

data_4340942
_publ_section_title
;
 Anion-dependent assembly of four sensitized near-infrared luminescent
 heteronuclear Zn(II)-Yb(III) Schiff base complexes from a trinuclear
 Zn(II) complex.
;
_journal_issue                   18
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9625
_journal_page_last               9632
_journal_paper_doi               10.1021/ic501118b
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C32 H37 Cl5 N4 O8 Yb2 Zn'
_chemical_formula_weight         1194.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                84.001(2)
_cell_angle_beta                 76.281(2)
_cell_angle_gamma                77.1930(10)
_cell_formula_units_Z            2
_cell_length_a                   11.7194(13)
_cell_length_b                   12.0286(13)
_cell_length_c                   15.8321(18)
_cell_measurement_reflns_used    2213
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.95
_cell_measurement_theta_min      2.25
_cell_volume                     2111.0(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \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  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0633
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9178
_diffrn_reflns_theta_full        25.17
_diffrn_reflns_theta_max         23.17
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    5.322
_exptl_absorpt_correction_T_max  4.137
_exptl_absorpt_correction_T_min  3.268
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.879
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.220
_refine_diff_density_min         -1.185
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     484
_refine_ls_number_reflns         5935
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0487
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0728P)^2^+1.0252P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1210
_refine_ls_wR_factor_ref         0.1376
_reflns_number_gt                4285
_reflns_number_total             5935
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501118b_si_002.cif
_cod_data_source_block           991998(4)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4340939--4340944.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4340942