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_7045584
_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            'C14 H56 Fe10 N14 Se12'
_chemical_formula_weight         1926.7
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_update_record
;
2017-12-22 deposited with the CCDC.
2018-02-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.323(2)
_cell_length_b                   12.273(2)
_cell_length_c                   20.821(4)
_cell_measurement_reflns_used    2137
_cell_measurement_temperature    120
_cell_measurement_theta_max      53.211
_cell_measurement_theta_min      4.787
_cell_volume                     2382.4(8)
_diffrn_ambient_temperature      120
_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
_diffrn_reflns_av_R_equivalents  0.0578
_diffrn_reflns_av_unetI/netI     0.0424
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            42237
_diffrn_reflns_theta_full        28.64
_diffrn_reflns_theta_max         28.64
_diffrn_reflns_theta_min         2.39
_exptl_absorpt_coefficient_mu    12.146
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6955
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.6858
_exptl_crystal_description       needle
_exptl_crystal_F_000             1812
_refine_diff_density_max         0.98
_refine_diff_density_min         -1.08
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.81
_refine_ls_goodness_of_fit_ref   1.69
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    119
_refine_ls_number_parameters     226
_refine_ls_number_reflns         4294
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.0495
_refine_ls_shift/su_mean         0.0015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0708
_reflns_number_gt                3334
_reflns_number_total             4294
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            c8dt00025e2.cif
_cod_data_source_block           Fe10Se12en7
_cod_depositor_comments
'Adding full bibliography for 7045582--7045584.cif.'
_cod_database_code               7045584