Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.
Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 1638–1647; doi:10.1039/c5dt04062k

data_7037719
_publ_section_title
;
 Synthesis and reactions of N-heterocycle functionalised variants of
 heterometallic {Cr7Ni} rings.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1638
_journal_page_last               1647
_journal_paper_doi               10.1039/c5dt04062k
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C184 H318 Cr14 F22 N4 Ni3 O68'
_chemical_formula_weight         4996.51
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
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2014-03-07 deposited with the CCDC.
2015-12-21 downloaded from the CCDC.
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_cell_angle_alpha                90
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        CrysAlisPro, Agilent Technologies,
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_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
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'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_min         2.769
_exptl_absorpt_coefficient_mu    5.064
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
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        Empirical absorption correction using spherical harmonics,
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;
_exptl_crystal_density_diffrn    1.162
_exptl_crystal_F_000             10448.0
_refine_diff_density_max         1.404
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_refine_diff_density_rms         0.112
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_parameters     1330
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_refine_ls_number_restraints     0
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_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.1536P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2308
_refine_ls_wR_factor_ref         0.2781
_reflns_number_gt                9261
_reflns_number_total             17451
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt04062k2.cif
_cod_data_source_block           test
_cod_depositor_comments
'Adding full bibliography for 7037717--7037737.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7037719
_audit_block_doi                 10.5517/cc127vlr