Systematic dimensional reduction of the layered β-FeSe structure by solvothermal synthesis.
Stahl, J.; Shlaen, E.; Singer, H.; Johrendt, D.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 3264–3271; doi:10.1039/c8dt00025e

data_7045583
_publ_section_title
;
 Systematic dimensional reduction of the layered \b-FeSe structure by
 solvothermal synthesis.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3264
_journal_page_last               3271
_journal_paper_doi               10.1039/c8dt00025e
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C6 H24 Fe3 N6 Se4'
_chemical_formula_weight         663.7
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_update_record
;
2017-12-22 deposited with the CCDC.
2018-02-08 downloaded from the CCDC.
;
_cell_angle_alpha                109.880(13)
_cell_angle_beta                 96.370(15)
_cell_angle_gamma                114.093(14)
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_cell_measurement_theta_max      35.508
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_cell_volume                     907.7(7)
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_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.057
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_theta_full        28.51
_diffrn_reflns_theta_max         28.51
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    10.379
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8176
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            black
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_exptl_crystal_description       needle
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_refine_diff_density_min         -0.84
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.66
_refine_ls_goodness_of_fit_ref   1.56
_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         3280
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0651
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.0499
_refine_ls_shift/su_mean         0.0013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
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_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            c8dt00025e2.cif
_cod_data_source_block           Fe3Se4en3
_cod_depositor_comments
'Adding full bibliography for 7045582--7045584.cif.'
_cod_original_cell_volume        907.8(7)
_cod_database_code               7045583