New series of mononuclear β-diketonate cerium(III) field induced single-molecule magnets.
Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardía, Mercè; Vicente, Ramon; Dalton transactions (Cambridge, England : 2003) 53 (2024) 9387–9405; doi:10.1039/d4dt00848k

data_7715998
_publ_section_title
;
 New series of mononuclear &#x3b2;-diketonate cerium(III) field induced
 single-molecule magnets.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9387
_journal_page_last               9405
_journal_paper_doi               10.1039/d4dt00848k
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C42 H31 Ce F9 N2 O7'
_chemical_formula_weight         986.81
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_audit_update_record
;
2023-05-10 deposited with the CCDC.	2024-05-06 downloaded from the CCDC.
;
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_cell_volume                     2046.0(3)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_coefficient_mu    1.206
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_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0574
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0478P)^2^+9.5816P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1162
_refine_ls_wR_factor_ref         0.1253
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_reflns_number_gt                11184
_reflns_number_total             12438
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7715994--7716000.cif.'
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