μ1,1-R-phenylcyanamido bridges as a new safe synthetic strategy for ferromagnetic molecular clusters.
Speed, Saskia; Casanovas, Berta; Vicente, Ramon; Dalton transactions (Cambridge, England : 2003) 45 (2016) 5395–5403; doi:10.1039/c5dt04306a

data_7038323
_publ_section_title
;
 \m1,1-R-phenylcyanamido bridges as a new safe synthetic strategy for
 ferromagnetic molecular clusters.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5395
_journal_page_last               5403
_journal_paper_doi               10.1039/c5dt04306a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C80 H56 Cl4 F12 N16 Ni4 O8, 2(C2 H6 O)'
_chemical_formula_sum            'C84 H68 Cl4 F12 N16 Ni4 O10'
_chemical_formula_weight         2066.18
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_audit_update_record
;
2015-11-02 deposited with the CCDC.
2016-02-09 downloaded from the CCDC.
;
_cell_angle_alpha                70.643(4)
_cell_angle_beta                 84.372(4)
_cell_angle_gamma                84.460(4)
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_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_exptl_crystal_density_method    'not measured'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+23.0529P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                7918
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04306a2.cif
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_cod_depositor_comments
'Adding full bibliography for 7038322--7038324.cif.'
_cod_original_cell_volume        2156.3(3)
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_cod_database_code               7038323