Single-ion magnet behaviour in mononuclear and two-dimensional dicyanamide-containing cobalt(ii) complexes.
Switlicka-Olszewska, Anna; Palion-Gazda, Joanna; Klemens, Tomasz; Machura, Barbara; Vallejo, Julia; Cano, Joan; Lloret, Francesc; Julve, Miguel; Dalton transactions (Cambridge, England : 2003) 45 (2016) 10181–10193; doi:10.1039/c6dt01160h

data_7039198
_publ_section_title
;
 Single-ion magnet behaviour in mononuclear and two-dimensional
 dicyanamide-containing cobalt(ii) complexes.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10181
_journal_page_last               10193
_journal_paper_doi               10.1039/c6dt01160h
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C44 H40 Co N14'
_chemical_formula_sum            'C44 H40 Co N14'
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_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-10-20 deposited with the CCDC.
2016-05-05 downloaded from the CCDC.
;
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_cell_angle_gamma                115.860(6)
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_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      4.0120
_cell_volume                     1032.73(12)
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_computing_data_collection       'CrysAlis CCD v. 1.163 (UNIL IC & KUMA 2000)'
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_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Oxford Diffraction Gemini A Ultra'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0415
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_diffrn_reflns_limit_l_max       15
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_diffrn_reflns_number            9158
_diffrn_reflns_point_group_measured_fraction_full 0.976
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_exptl_absorpt_coefficient_mu    0.466
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_exptl_absorpt_correction_T_min  0.78341
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, Acta Cryst. A51 (1995) 33-38'
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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^)+(0.0441P)^2^+0.0896P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0908
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_reflns_number_gt                3019
_reflns_number_total             3652
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt01160h2.cif
_cod_data_source_block           A12a
_cod_depositor_comments
'Adding full bibliography for 7039197--7039200.cif.'
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_shelxl_version_number           2014/6
_shelx_res_checksum              98923