Surface functionalization of dinuclear clathrochelates via Pd-catalyzed cross-coupling reactions: facile synthesis of polypyridyl metalloligands.
Marmier, Mathieu; Cecot, Giacomo; Curchod, Basile F. E.; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay; Dalton transactions (Cambridge, England : 2003) 45 (2016) 8422–8427; doi:10.1039/c6dt01288d

data_7039113
_publ_section_title
;
 Surface functionalization of dinuclear clathrochelates via Pd-catalyzed
 cross-coupling reactions: facile synthesis of polypyridyl metalloligands.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8422
_journal_page_last               8427
_journal_paper_doi               10.1039/c6dt01288d
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C61 H40 B2 N11 O9 Zn2, 0.5(C8 H20 N)'
_chemical_formula_sum            'C65 H50 B2 N11.5 O9 Zn2'
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_space_group_name_Hall           '-I 2ya'
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_audit_update_record
;
2016-02-15 deposited with the CCDC.
2016-04-18 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      140(2)
_diffrn_detector_area_resol_mean 10.2665
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_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear pale yellow'
_exptl_crystal_density_diffrn    1.152
_exptl_crystal_description       prism
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_refine_ls_R_factor_all          0.0759
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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^)+(0.0803P)^2^+15.5692P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             18615
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt01288d2.cif
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_cod_depositor_comments
'Adding full bibliography for 7039111--7039113.cif.'
_cod_original_cell_volume        14858.6(10)
_cod_original_formula_sum        'C65 H50 B2 N11.50 O9 Zn2'
_cod_database_code               7039113
_publcif_datablock.id            {cb9d6a07-3bb7-4cd3-ac8e-0ef00daa2ce8}
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              38805
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