Tetrakis(μ-acetato-κ2 O:O′)bis[(tetrahydrofuran-κO)chromium(II)]
Heiser, Christian; Merzweiler, Kurt; IUCrData 8 (2023) x230801–; doi:10.1107/S2414314623008015

data_1569934
_publ_section_title
;
 Tetrakis(\m-acetato-\k2
 O:O&#x2032;)bis[(tetrahydrofuran-\kO)chromium(II)]
;
_journal_coeditor_code           WM4196
_journal_issue                   9
_journal_name_full               IUCrData
_journal_page_first              x230801
_journal_paper_doi               10.1107/S2414314623008015
_journal_volume                  8
_journal_year                    2023
_chemical_formula_iupac          '[Cr2 (C2 H3 O2)4 (C4 H8 O)2]'
_chemical_formula_moiety         'C16 H28 Cr2 O10'
_chemical_formula_sum            'C16 H28 Cr2 O10'
_chemical_formula_weight         484.38
_chemical_name_systematic
Tetrakis(\m-acetato-\k^2^<i>O</i>:<i>O</i>')bis[(tetrahydrofuran-\k<i>O</i>)chromium(II)](<i>Cr</i>---<i>Cr</i>)
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_cell_angle_alpha                90
_cell_angle_beta                 136.283(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.833(4)
_cell_length_b                   9.6413(15)
_cell_length_c                   15.654(3)
_cell_measurement_reflns_used    10024
_cell_measurement_temperature    213
_cell_measurement_theta_max      27.13
_cell_measurement_theta_min      1.89
_cell_volume                     2173.0(8)
_computing_cell_refinement
;
X-Area (Stoe, 2016)
;
_computing_data_collection
;
X-Area (Stoe, 2016)
;
_computing_data_reduction
;
X-Area (Stoe, 2016)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2019
;
_computing_publication_material
;
Olex2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_structure_solution
;
<i>SHELXT</i> (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      213
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device       '2-circle diffractometer'
_diffrn_measurement_device_type  'Stoe IPDSII'
_diffrn_measurement_method       'rotation method, \w scans'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_av_unetI/netI     0.0177
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8042
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.802
_diffrn_reflns_theta_min         2.542
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_current           30
_diffrn_source_power             1.500
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    1.047
_exptl_absorpt_correction_T_max  0.8734
_exptl_absorpt_correction_T_min  0.7357
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
[Absorption correction with X-Red32 (Stoe, 2009) by Gaussian integration
analogous to Coppens (1970)]
;
_exptl_crystal_colour            'clear red'
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.192
_exptl_crystal_size_mid          0.163
_exptl_crystal_size_min          0.135
_refine_diff_density_max         0.537
_refine_diff_density_min         -0.254
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     129
_refine_ls_number_reflns         2297
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0284
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0467P)^2^+2.3382P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0825
_refine_ls_wR_factor_ref         0.0844
_reflns_number_gt                2085
_reflns_number_total             2297
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm4196.cif
_cod_data_source_block           I
_cod_original_cell_volume        2172.9(7)
_cod_database_code               1569934
_shelx_hkl_checksum              12568
_shelx_res_checksum              92214