Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks
Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.; Chem. Sci. 5 (2014) 4317–; doi:10.1039/C4SC01025F

data_1516783
_publ_section_title
;
 Linear bilateral extended
 2,2&#x2032;:6&#x2032;,2&#x2032;&#x2032;-terpyridine ligands, their
 coordination complexes and heterometallic supramolecular networks
;
_journal_issue                   11
_journal_name_full               'Chem. Sci.'
_journal_page_first              4317
_journal_paper_doi               10.1039/C4SC01025F
_journal_volume                  5
_journal_year                    2014
_chemical_formula_moiety         'C61 H51 N7 O6'
_chemical_formula_sum            'C61 H51 N7 O6'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             7-Mar-2011
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 76.8586(16)
_cell_angle_gamma                86.4640(16)
_cell_formula_units_Z            2
_cell_length_a                   9.6372(2)
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_cell_measurement_temperature    160(1)
_cell_measurement_theta_max      74.1214
_cell_measurement_theta_min      2.2512
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_computing_cell_refinement
'CrysAlisPro, Version 1.171.34.44 (Agilent Technologies, 2010)'
_computing_data_collection
'CrysAlisPro, Version 1.171.34.44 (Agilent Technologies, 2010)'
_computing_data_reduction
'CrysAlisPro, Version 1.171.34.44 (Agilent Technologies, 2010)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97 and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      160(1)
_diffrn_detector                 'Atlas CCD camera on \k goniostat'
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_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.982
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'Oxford Diffraction SuperNova, dual radiation diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           'Cu K\a'
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_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
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_diffrn_reflns_number            40455
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_diffrn_reflns_theta_min         2.25
_diffrn_standards_decay_%        0
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_exptl_absorpt_correction_T_min  0.01105
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;
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
CrysAlisPro, Version 1.171.34.44 (Agilent Technologies, 2010)
;
_exptl_crystal_colour            colourless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1028
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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^)+(0.0596P)^2^+0.4306P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1114
_refine_ls_wR_factor_ref         0.1212
_reflns_number_gt                7607
_reflns_number_total             10009
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 1516783--1516791.cif.'
_cod_original_cell_volume        2501.35(8)
_cod_database_code               1516783