Optimized synthesis of a tert-butyl-phenyl-substituted tetrapyridophenazine ligand and its Ru(ii) complexes and determination of dimerization behaviour of the complexes through supramolecular "Fingerhakel".
Ritter, K.; Pehlken, C.; Sorsche, D.; Rau, S.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 8889–8905; doi:10.1039/c5dt00214a

data_1518968
_publ_section_title
;
 Optimized synthesis of a tert-butyl-phenyl-substituted
 tetrapyridophenazine ligand and its Ru(ii) complexes and determination of
 dimerization behaviour of the complexes through supramolecular
 &quot;Fingerhakel&quot;.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8889
_journal_page_last               8905
_journal_paper_doi               10.1039/c5dt00214a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C32 H30 N2 O2'
_chemical_formula_sum            'C32 H30 N2 O2'
_chemical_formula_weight         474.58
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_date             2014-04-11T14:02:48-00:00
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_audit_update_record
;
2015-02-27 deposited with the CCDC.
2015-03-26 downloaded from the CCDC.
;
_cell_angle_alpha                97.594(6)
_cell_angle_beta                 91.675(5)
_cell_angle_gamma                92.920(6)
_cell_formula_units_Z            2
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_cell_length_b                   10.1543(7)
_cell_length_c                   19.0511(13)
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_cell_volume                     1222.85(14)
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        CrysAlisPro, Agilent Technologies,
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150(2)
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_diffrn_orient_matrix_UB_32      -0.1470767
_diffrn_orient_matrix_UB_33      -0.0112817
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_diffrn_reflns_limit_l_max       23
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_diffrn_reflns_number            14141
_diffrn_reflns_point_group_measured_fraction_full 0.997
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_exptl_absorpt_coefficient_mu    0.63
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        CrysAlisPro, Agilent Technologies,
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        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_description       fragment
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_refine_diff_density_max         0.241
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0467
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0555P)^2^+0.2551P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1165
_refine_ls_wR_factor_ref         0.1285
_reflns_number_gt                3622
_reflns_number_total             4802
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt00214a2.cif
_cod_data_source_block           phenBr2O2
_cod_depositor_comments
'Adding full bibliography for 1518963--1518971.cif.'
_cod_database_code               1518968