Cluster-to-cluster charge transfer in a compound with a co-crystallized dye-anchored Ti<sub>6</sub> cluster and a classical Ti<sub>12</sub> cluster.
Wang, Huan; Zou, Dan-Hong; Jiang, Guo-Qin; Dai, Jie; Dalton transactions (Cambridge, England : 2003) 48 (2019) 8569–8572; doi:10.1039/c9dt00812h

data_7700135
_publ_section_title
;
 Cluster-to-cluster charge transfer in a compound with a co-crystallized
 dye-anchored Ti<sub>6</sub> cluster and a classical Ti<sub>12</sub>
 cluster.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8569
_journal_page_last               8572
_journal_paper_doi               10.1039/c9dt00812h
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C146 H250 N2 O60 Ti18'
_chemical_formula_weight         3855.67
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-05-14 deposited with the CCDC.    2019-05-21 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0963
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         2.356
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_description       block
_exptl_crystal_F_000             2016
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_refine_ls_R_factor_all          0.1142
_refine_ls_R_factor_gt           0.0571
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0730P)^2^+5.5345P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1367
_refine_ls_wR_factor_ref         0.1658
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10634
_reflns_number_total             17091
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00812h2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7700135.cif.'
_cod_original_cell_volume        4697.5(10)
_cod_database_code               7700135
_shelx_shelxl_version_number     2016/6
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_shelx_res_checksum              58545