Quantifying magnetic anisotropy using X-ray and neutron diffraction
Klahn, Emil Andreasen; Damgaard-Møller, Emil; Krause, Lennard; Kibalin, Iurii; Gukasov, Arsen; Tripathi, Shalini; Swain, Abinash; Shanmugam, Maheswaran; Overgaard, Jacob; IUCrJ 8 (2021) –; doi:10.1107/S2052252521008290

data_1564497
_publ_section_title
;
 Quantifying magnetic anisotropy using X-ray and neutron diffraction
;
_journal_issue                   5
_journal_name_full               IUCrJ
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052252521008290
_journal_volume                  8
_journal_year                    2021
_chemical_formula_moiety         'C10 H24 Cl2 Co N4 S2'
_chemical_formula_sum            'C10 H24 Cl2 Co N4 S2'
_chemical_formula_weight         394.28
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
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Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
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_cell_angle_gamma                90
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_cell_length_b                   12.7019(5)
_cell_length_c                   14.1556(6)
_cell_measurement_reflns_used    9216
_cell_measurement_temperature    20(2)
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_cell_measurement_theta_min      2.21
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_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  synchrotron
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_diffrn_reflns_av_unetI/netI     0.0594
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
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_diffrn_reflns_limit_h_min       -29
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_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -41
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        8.578
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_exptl_absorpt_correction_T_min  0.9030
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            yellow
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_exptl_crystal_size_mid          0.1
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
        calc w2 = 1/[s^2^(Fo^2^)]
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_refine_ls_weighting_scheme      calc
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