μ2-Chlorido-chlorido(μ2-4-{[2-(diethylamino)ethyl]imino}pent-2-en-2-olato)bis(tetrahydrofuran-κO)cobalt(II)lithium
Vinocour, Felipe A.; Soto-Navarro, Andrea; Pineda, Leslie W.; IUCrData 3 (2018) x181577–; doi:10.1107/S2414314618015778

data_1550216
_publ_section_title
;
 \m2-Chlorido-chlorido(\m2-4-{[2-(diethylamino)ethyl]imino}pent-2-en-2-olato)bis(tetrahydrofuran-\kO)cobalt(II)lithium
;
_journal_coeditor_code           WM4089
_journal_issue                   11
_journal_name_full               IUCrData
_journal_page_first              x181577
_journal_paper_doi               10.1107/S2414314618015778
_journal_volume                  3
_journal_year                    2018
_chemical_formula_iupac          '[Co Li (C11 H21 N2 O1) Cl2 (C4 H8 O)2]'
_chemical_formula_moiety         'C19 H37 Cl2 Co Li N2 O3'
_chemical_formula_sum            'C19 H37 Cl2 Co Li N2 O3'
_chemical_formula_weight         478.27
_chemical_name_systematic
\m~2~-Chlorido-chlorido(\m~2~-4-{[2-(diethylamino)ethyl]imino}pent-2-en-2-olato)bis(tetrahydrofuran-\k<i>O</i>)cobalt(II)lithium
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 104.476(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.0535(12)
_cell_length_b                   12.3705(14)
_cell_length_c                   19.236(2)
_cell_measurement_reflns_used    141
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      21.6696
_cell_measurement_theta_min      4.0573
_cell_volume                     2316.4(5)
_computing_cell_refinement
;
APEX3 (Bruker, 2015)
;
_computing_data_collection
;
APEX3 (Bruker, 2015)
;
_computing_data_reduction
;
SAINT (Bruker, 2015)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
<i>SHELXL2014/7</i> (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  mirrors
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0509
_diffrn_reflns_av_unetI/netI     0.0182
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            165035
_diffrn_reflns_theta_full        30.07
_diffrn_reflns_theta_max         30.07
_diffrn_reflns_theta_min         2.59
_diffrn_source                   'Incoatec Microsource'
_exptl_absorpt_coefficient_mu    0.992
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6692
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2015)
;
_exptl_crystal_colour            'translucent light green'
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1012
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.460
_refine_diff_density_min         -0.749
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.233
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         6723
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.233
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0515
_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^)+(0.0222P)^2^+11.0438P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1347
_refine_ls_wR_factor_ref         0.1403
_reflns_number_gt                5903
_reflns_number_total             6723
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm4089sup1.cif
_cod_data_source_block           I
_cod_database_code               1550216
_cod_database_fobs_code          1550216
_shelx_hkl_checksum              5752
_shelx_res_checksum              33228