Field-induced slow magnetic relaxation in low-spin S = 1/2 mononuclear osmium(v) complexes.
Su, Qian-Qian; Fan, Kun; Huang, Xin-Da; Xiang, Jing; Cheng, Shun-Cheung; Ko, Chi-Chiu; Zheng, Li-Min; Kurmoo, Mohamedally; Lau, Tai-Chu; Dalton transactions (Cambridge, England : 2003) 49 (2020) 4084–4092; doi:10.1039/d0dt00295j

data_7703550
_publ_section_title
;
 Field-induced slow magnetic relaxation in low-spin S = 1/2 mononuclear
 osmium(v) complexes.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4084
_journal_page_last               4092
_journal_paper_doi               10.1039/d0dt00295j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C45 H37 N7 O4 Os P'
_chemical_formula_weight         960.98
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-07-27 deposited with the CCDC.	2020-02-17 downloaded from the CCDC.
;
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_cell_measurement_temperature    100.00(10)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.00(10)
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_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0545
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_diffrn_reflns_theta_max         25.006
_diffrn_reflns_theta_min         3.335
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    3.086
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78286
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            white
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     523
_refine_ls_number_reflns         7482
_refine_ls_number_restraints     1584
_refine_ls_restrained_S_all      0.716
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0384
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0503P)^2^+39.1728P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1055
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6883
_reflns_number_total             7482
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00295j2.cif
_cod_data_source_block           207-28_sq
_cod_depositor_comments
'Adding full bibliography for 7703550--7703551.cif.'
_cod_database_code               7703550
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              80879
_shelx_fab_checksum              43770