Novel phenanthroline-diaryldiazadiene ligands with heteroditopic coordination spheres.
Sorsche, Dieter; Pehlken, Christian; Baur, Christian; Rommel, Sebastian; Kastner, Katharina; Streb, Carsten; Rau, Sven; Dalton transactions (Cambridge, England : 2003) 44 (2015) 15404–15407; doi:10.1039/c5dt02383a

data_7035937
_publ_section_title
;
 Novel phenanthroline-diaryldiazadiene ligands with heteroditopic
 coordination spheres.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15404
_journal_page_last               15407
_journal_paper_doi               10.1039/c5dt02383a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C30 H28 N4'
_chemical_formula_sum            'C30 H28 N4'
_chemical_formula_weight         444.56
_chemical_name_common            phen(N-Mes)2
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2015-02-09T14:55:59-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2015-02-09 deposited with the CCDC.
2015-06-29 downloaded from the CCDC.
;
_cell_angle_alpha                92.571(4)
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
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_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_unetI/netI     0.0261
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_diffrn_reflns_theta_min         7.637
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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            red
_exptl_crystal_density_diffrn    1.24
_exptl_crystal_description       prism
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_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0385
_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^)+(0.0541P)^2^+0.2349P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1073
_reflns_number_gt                3843
_reflns_number_total             4642
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt02383a2.cif
_cod_data_source_block           shelx_x
_cod_depositor_comments
'Adding full bibliography for 7035937--7035939.cif.'
_cod_original_cell_volume        1191.05(12)
_cod_database_code               7035937