#------------------------------------------------------------------------------
#$Date: 2025-08-21 14:03:24 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301848 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/16/7021649.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7021649
loop_
_publ_author_name
'Rivers, Joseph H.'
'Jones, Richard A.'
_publ_section_title
;
 Synthesis and structures of Co bis-trifluoromethylpyrazolate complexes.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12898
_journal_page_last               12907
_journal_paper_doi               10.1039/c3dt50758k
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C26 H24 Co2 F24 Li2 N8 O2 P2'
_chemical_formula_sum            'C26 H24 Co2 F24 Li2 N8 O2 P2'
_chemical_formula_weight         1130.21
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.591(5)
_cell_angle_beta                 90.458(7)
_cell_angle_gamma                112.259(17)
_cell_formula_units_Z            1
_cell_length_a                   9.313(2)
_cell_length_b                   11.028(5)
_cell_length_c                   11.569(5)
_cell_measurement_reflns_used    6021
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      3.05
_cell_volume                     1067.8(7)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'CIFTAB (Sheldrick, 2008)'
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_structure_solution
;
SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C.,
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku AFC-12 with Saturn 724+CCD'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_sigmaI/netI    0.0732
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7085
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.994
_exptl_absorpt_correction_T_max  0.7
_exptl_absorpt_correction_T_min  0.44
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Abscor. T. Higashi (2001).
The Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.758
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             558
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.675
_refine_diff_density_min         -1.116
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         3686
_refine_ls_number_restraints     120
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0749
_refine_ls_R_factor_gt           0.0626
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0608P)²+4.3270P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1632
_refine_ls_wR_factor_ref         0.1718
_reflns_number_gt                3056
_reflns_number_total             3686
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50758k.txt
_cod_data_source_block           Co2Pz4P2Li2O2H2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7021649
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.71586(7) 0.09942(7) 0.33590(6) 0.0226(2) Uani 1 1 d . . .
P1 P 0.78786(16) 0.28315(15) 0.24467(13) 0.0289(4) Uani 1 1 d . . .
F1 F 1.2015(4) 0.3115(3) 0.3977(3) 0.0422(9) Uani 1 1 d . . .
F2 F 1.2357(4) 0.1409(4) 0.4325(3) 0.0448(9) Uani 1 1 d . . .
F3 F 1.0502(4) 0.1116(4) 0.3043(3) 0.0381(8) Uani 1 1 d . . .
F4 F 0.9606(8) 0.1660(9) 0.8644(6) 0.066(2) Uani 0.72 1 d PDU A 1
F4B F 1.0144(11) 0.2659(19) 0.8713(11) 0.071(6) Uani 0.28 1 d PDU A 2
F5 F 0.9145(14) 0.3366(6) 0.8552(7) 0.110(4) Uani 0.72 1 d PDU A 1
F5B F 0.800(2) 0.0989(10) 0.8272(15) 0.071(5) Uani 0.28 1 d PDU A 2
F6 F 0.7352(6) 0.1437(9) 0.8138(6) 0.080(3) Uani 0.72 1 d PDU A 1
F6B F 0.8119(18) 0.2930(15) 0.8288(12) 0.046(4) Uani 0.28 1 d PDU A 2
F7 F 0.8970(4) 0.0069(4) 0.0875(3) 0.0487(10) Uani 1 1 d . . .
F8 F 0.7735(4) -0.1720(4) -0.0523(3) 0.0456(9) Uani 1 1 d . . .
F9 F 0.6797(5) -0.0192(4) 0.0034(3) 0.0500(10) Uani 1 1 d . . .
F10 F 0.3264(4) -0.4111(4) 0.3347(4) 0.0503(10) Uani 1 1 d U . .
F11 F 0.5254(5) -0.4612(4) 0.3384(4) 0.0671(13) Uani 1 1 d U . .
F12 F 0.3698(5) -0.5346(4) 0.1796(4) 0.0582(12) Uani 1 1 d U . .
O1 O 0.5296(4) 0.0828(4) 0.4128(3) 0.0269(8) Uani 1 1 d . . .
H1 H 0.4602 0.1226 0.3835 0.032 Uiso 1 1 calc R . .
N1 N 0.8676(5) 0.1555(4) 0.4823(4) 0.0237(9) Uani 1 1 d . . .
N2 N 0.8038(5) 0.1650(4) 0.5875(4) 0.0245(10) Uani 1 1 d . . .
N3 N 0.6504(5) -0.0916(4) 0.2376(4) 0.0234(9) Uani 1 1 d . . .
N4 N 0.5606(5) -0.1822(4) 0.2976(4) 0.0244(10) Uani 1 1 d . . .
C1 C 0.6403(8) 0.2836(8) 0.1419(6) 0.0509(18) Uani 1 1 d . . .
H1A H 0.6754 0.3713 0.1214 0.076 Uiso 1 1 calc R . .
H1B H 0.5428 0.2675 0.1792 0.076 Uiso 1 1 calc R . .
H1C H 0.6229 0.2123 0.0695 0.076 Uiso 1 1 calc R . .
C2 C 0.8235(10) 0.4321(7) 0.3626(6) 0.056(2) Uani 1 1 d . . .
H2A H 0.8416 0.5096 0.3280 0.084 Uiso 1 1 calc R . .
H2B H 0.9156 0.4496 0.4154 0.084 Uiso 1 1 calc R . .
H2C H 0.7328 0.4177 0.4082 0.084 Uiso 1 1 calc R . .
C3 C 0.9612(8) 0.3279(7) 0.1668(6) 0.0479(17) Uani 1 1 d . . .
H3A H 0.9480 0.2551 0.0965 0.072 Uiso 1 1 calc R . .
H3B H 1.0514 0.3416 0.2198 0.072 Uiso 1 1 calc R . .
H3C H 0.9780 0.4113 0.1419 0.072 Uiso 1 1 calc R . .
C4 C 1.1266(6) 0.1850(6) 0.4106(5) 0.0284(12) Uani 1 1 d . . .
C5 C 1.0204(6) 0.1791(5) 0.5069(5) 0.0242(11) Uani 1 1 d . . .
C6 C 1.0582(6) 0.2031(6) 0.6273(5) 0.0285(12) Uani 1 1 d . . .
H6 H 1.1558 0.2218 0.6684 0.034 Uiso 1 1 calc R . .
C7 C 0.9172(6) 0.1930(5) 0.6739(5) 0.0271(12) Uani 1 1 d . A .
C8 C 0.8842(6) 0.2115(5) 0.8002(5) 0.0382(14) Uani 1 1 d DU . .
C9 C 0.7557(6) -0.0870(6) 0.0422(5) 0.0346(14) Uani 1 1 d . . .
C10 C 0.6724(6) -0.1608(5) 0.1321(5) 0.0269(12) Uani 1 1 d . . .
C11 C 0.5990(6) -0.2962(6) 0.1206(5) 0.0290(12) Uani 1 1 d . . .
H11 H 0.5949 -0.3675 0.0557 0.035 Uiso 1 1 calc R . .
C12 C 0.5309(6) -0.3049(5) 0.2275(5) 0.0253(11) Uani 1 1 d . . .
C13 C 0.4383(7) -0.4274(6) 0.2702(6) 0.0354(14) Uani 1 1 d U . .
Li1 Li 0.5675(10) 0.1116(9) 0.5804(8) 0.030(2) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Co1 N3 99.53(16) . .
O1 Co1 N1 98.80(17) . .
N3 Co1 N1 117.23(18) . .
O1 Co1 P1 109.95(12) . .
N3 Co1 P1 120.99(13) . .
N1 Co1 P1 107.42(13) . .
O1 Co1 Li1 38.6(2) . 2_656
N3 Co1 Li1 65.4(2) . 2_656
N1 Co1 Li1 98.3(2) . 2_656
P1 Co1 Li1 143.09(18) . 2_656
O1 Co1 Li1 34.2(2) . .
N3 Co1 Li1 112.1(2) . .
N1 Co1 Li1 64.7(2) . .
P1 Co1 Li1 121.15(18) . .
Li1 Co1 Li1 48.9(3) 2_656 .
C2 P1 C3 103.9(4) . .
C2 P1 C1 103.6(4) . .
C3 P1 C1 103.3(3) . .
C2 P1 Co1 106.4(2) . .
C3 P1 Co1 121.0(2) . .
C1 P1 Co1 116.6(3) . .
Li1 O1 Co1 111.3(3) . .
Li1 O1 Li1 83.0(4) . 2_656
Co1 O1 Li1 104.8(3) . 2_656
Li1 O1 H1 117.4 . .
Co1 O1 H1 117.4 . .
Li1 O1 H1 117.4 2_656 .
N2 N1 C5 107.5(4) . .
N2 N1 Co1 115.0(3) . .
C5 N1 Co1 137.3(4) . .
C7 N2 N1 107.1(4) . .
C7 N2 Li1 134.9(4) . .
N1 N2 Li1 117.4(4) . .
C10 N3 N4 108.3(4) . .
C10 N3 Co1 140.4(4) . .
N4 N3 Co1 111.2(3) . .
C12 N4 N3 106.3(4) . .
C12 N4 Li1 131.8(4) . 2_656
N3 N4 Li1 115.2(4) . 2_656
P1 C1 H1A 109.5 . .
P1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
P1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
P1 C2 H2A 109.5 . .
P1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
P1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
P1 C3 H3A 109.5 . .
P1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
P1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
F2 C4 F3 107.5(4) . .
F2 C4 F1 106.6(4) . .
F3 C4 F1 106.1(4) . .
F2 C4 C5 111.7(4) . .
F3 C4 C5 112.3(4) . .
F1 C4 C5 112.1(4) . .
N1 C5 C6 111.2(5) . .
N1 C5 C4 121.0(5) . .
C6 C5 C4 127.7(5) . .
C5 C6 C7 102.6(5) . .
C5 C6 H6 128.7 . .
C7 C6 H6 128.7 . .
N2 C7 C6 111.5(5) . .
N2 C7 C8 120.1(5) . .
C6 C7 C8 128.4(5) . .
F5B C8 F6B 107.2(7) . .
F5B C8 F4B 107.4(7) . .
F6B C8 F4B 105.8(7) . .
F5 C8 F4 106.7(5) . .
F5 C8 F6 105.2(6) . .
F4 C8 F6 103.6(5) . .
F5B C8 C7 113.0(8) . .
F6B C8 C7 112.4(7) . .
F5 C8 C7 114.2(5) . .
F4B C8 C7 110.7(8) . .
F4 C8 C7 113.2(5) . .
F6 C8 C7 113.0(5) . .
F8 C9 F7 108.3(4) . .
F8 C9 F9 107.7(5) . .
F7 C9 F9 104.9(5) . .
F8 C9 C10 111.0(5) . .
F7 C9 C10 112.1(5) . .
F9 C9 C10 112.5(5) . .
N3 C10 C11 110.8(5) . .
N3 C10 C9 120.2(5) . .
C11 C10 C9 128.7(5) . .
C10 C11 C12 103.1(5) . .
C10 C11 H11 128.4 . .
C12 C11 H11 128.4 . .
N4 C12 C11 111.4(5) . .
N4 C12 C13 119.5(5) . .
C11 C12 C13 129.1(5) . .
F11 C13 F10 106.3(5) . .
F11 C13 F12 106.4(5) . .
F10 C13 F12 107.1(5) . .
F11 C13 C12 112.6(5) . .
F10 C13 C12 112.5(5) . .
F12 C13 C12 111.5(5) . .
O1 Li1 O1 97.0(4) . 2_656
O1 Li1 N2 97.3(4) . .
O1 Li1 N2 107.4(4) 2_656 .
O1 Li1 N4 123.8(5) . 2_656
O1 Li1 N4 97.3(4) 2_656 2_656
N2 Li1 N4 128.8(5) . 2_656
O1 Li1 Li1 50.2(3) . 2_656
O1 Li1 Li1 46.8(3) 2_656 2_656
N2 Li1 Li1 108.9(5) . 2_656
N4 Li1 Li1 120.4(5) 2_656 2_656
O1 Li1 Co1 107.6(4) . 2_656
O1 Li1 Co1 36.62(18) 2_656 2_656
N2 Li1 Co1 137.1(4) . 2_656
N4 Li1 Co1 62.0(2) 2_656 2_656
Li1 Li1 Co1 66.5(4) 2_656 2_656
O1 Li1 Co1 34.54(19) . .
O1 Li1 Co1 103.2(3) 2_656 .
N2 Li1 Co1 62.9(3) . .
N4 Li1 Co1 151.5(4) 2_656 .
Li1 Li1 Co1 64.7(4) 2_656 .
Co1 Li1 Co1 131.1(3) 2_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 1.921(3) .
Co1 N3 2.018(4) .
Co1 N1 2.023(4) .
Co1 P1 2.3629(18) .
Co1 Li1 3.113(9) 2_656
Co1 Li1 3.157(9) .
P1 C2 1.808(7) .
P1 C3 1.810(6) .
P1 C1 1.813(6) .
F1 C4 1.345(6) .
F2 C4 1.326(6) .
F3 C4 1.338(6) .
F4 C8 1.317(6) .
F4B C8 1.313(7) .
F5 C8 1.307(6) .
F5B C8 1.300(7) .
F6 C8 1.334(6) .
F6B C8 1.305(7) .
F7 C9 1.341(6) .
F8 C9 1.333(7) .
F9 C9 1.344(7) .
F10 C13 1.330(7) .
F11 C13 1.329(7) .
F12 C13 1.335(7) .
O1 Li1 1.904(10) .
O1 Li1 2.007(10) 2_656
O1 H1 1.0000 .
N1 N2 1.360(6) .
N1 C5 1.361(6) .
N2 C7 1.346(7) .
N2 Li1 2.047(10) .
N3 C10 1.353(7) .
N3 N4 1.363(6) .
N4 C12 1.341(7) .
N4 Li1 2.067(10) 2_656
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 C5 1.492(7) .
C5 C6 1.377(8) .
C6 C7 1.398(7) .
C6 H6 0.9500 .
C7 C8 1.482(8) .
C9 C10 1.500(8) .
C10 C11 1.361(8) .
C11 C12 1.400(7) .
C11 H11 0.9500 .
C12 C13 1.493(8) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 Co1 P1 C2 60.8(3) . .
N3 Co1 P1 C2 175.9(3) . .
N1 Co1 P1 C2 -45.7(3) . .
Li1 Co1 P1 C2 86.4(4) 2_656 .
Li1 Co1 P1 C2 24.8(4) . .
O1 Co1 P1 C3 178.8(3) . .
N3 Co1 P1 C3 -66.1(3) . .
N1 Co1 P1 C3 72.3(3) . .
Li1 Co1 P1 C3 -155.6(4) 2_656 .
Li1 Co1 P1 C3 142.8(3) . .
O1 Co1 P1 C1 -54.2(3) . .
N3 Co1 P1 C1 60.9(3) . .
N1 Co1 P1 C1 -160.7(3) . .
Li1 Co1 P1 C1 -28.6(4) 2_656 .
Li1 Co1 P1 C1 -90.2(3) . .
N3 Co1 O1 Li1 115.5(4) . .
N1 Co1 O1 Li1 -4.2(4) . .
P1 Co1 O1 Li1 -116.4(3) . .
Li1 Co1 O1 Li1 88.2(5) 2_656 .
N3 Co1 O1 Li1 27.3(3) . 2_656
N1 Co1 O1 Li1 -92.4(3) . 2_656
P1 Co1 O1 Li1 155.4(3) . 2_656
Li1 Co1 O1 Li1 -88.2(5) . 2_656
O1 Co1 N1 N2 0.5(4) . .
N3 Co1 N1 N2 -105.1(4) . .
P1 Co1 N1 N2 114.7(3) . .
Li1 Co1 N1 N2 -38.5(4) 2_656 .
Li1 Co1 N1 N2 -2.1(3) . .
O1 Co1 N1 C5 174.7(5) . .
N3 Co1 N1 C5 69.2(6) . .
P1 Co1 N1 C5 -71.0(5) . .
Li1 Co1 N1 C5 135.7(5) 2_656 .
Li1 Co1 N1 C5 172.1(6) . .
C5 N1 N2 C7 -0.4(6) . .
Co1 N1 N2 C7 175.5(3) . .
C5 N1 N2 Li1 -172.6(4) . .
Co1 N1 N2 Li1 3.3(5) . .
O1 Co1 N3 C10 147.4(6) . .
N1 Co1 N3 C10 -107.5(6) . .
P1 Co1 N3 C10 27.1(6) . .
Li1 Co1 N3 C10 165.7(6) 2_656 .
Li1 Co1 N3 C10 -179.5(6) . .
O1 Co1 N3 N4 -36.7(3) . .
N1 Co1 N3 N4 68.4(4) . .
P1 Co1 N3 N4 -157.0(3) . .
Li1 Co1 N3 N4 -18.4(3) 2_656 .
Li1 Co1 N3 N4 -3.5(4) . .
C10 N3 N4 C12 0.5(5) . .
Co1 N3 N4 C12 -176.8(3) . .
C10 N3 N4 Li1 -154.3(4) . 2_656
Co1 N3 N4 Li1 28.4(5) . 2_656
N2 N1 C5 C6 0.5(6) . .
Co1 N1 C5 C6 -174.1(4) . .
N2 N1 C5 C4 -176.0(4) . .
Co1 N1 C5 C4 9.5(8) . .
F2 C4 C5 N1 -148.0(5) . .
F3 C4 C5 N1 -27.0(7) . .
F1 C4 C5 N1 92.4(6) . .
F2 C4 C5 C6 36.2(8) . .
F3 C4 C5 C6 157.2(5) . .
F1 C4 C5 C6 -83.4(7) . .
N1 C5 C6 C7 -0.3(6) . .
C4 C5 C6 C7 175.8(5) . .
N1 N2 C7 C6 0.3(6) . .
Li1 N2 C7 C6 170.4(5) . .
N1 N2 C7 C8 179.1(4) . .
Li1 N2 C7 C8 -10.7(9) . .
C5 C6 C7 N2 0.0(6) . .
C5 C6 C7 C8 -178.7(5) . .
N2 C7 C8 F5B 73.2(11) . .
C6 C7 C8 F5B -108.1(11) . .
N2 C7 C8 F6B -48.3(10) . .
C6 C7 C8 F6B 130.4(10) . .
N2 C7 C8 F5 -92.6(8) . .
C6 C7 C8 F5 86.0(9) . .
N2 C7 C8 F4B -166.4(10) . .
C6 C7 C8 F4B 12.3(11) . .
N2 C7 C8 F4 144.9(6) . .
C6 C7 C8 F4 -36.4(8) . .
N2 C7 C8 F6 27.5(8) . .
C6 C7 C8 F6 -153.8(7) . .
N4 N3 C10 C11 -0.1(6) . .
Co1 N3 C10 C11 175.9(4) . .
N4 N3 C10 C9 174.7(5) . .
Co1 N3 C10 C9 -9.3(9) . .
F8 C9 C10 N3 176.4(5) . .
F7 C9 C10 N3 55.1(7) . .
F9 C9 C10 N3 -62.9(7) . .
F8 C9 C10 C11 -9.9(8) . .
F7 C9 C10 C11 -131.2(6) . .
F9 C9 C10 C11 110.9(6) . .
N3 C10 C11 C12 -0.3(6) . .
C9 C10 C11 C12 -174.5(6) . .
N3 N4 C12 C11 -0.7(6) . .
Li1 N4 C12 C11 148.1(5) 2_656 .
N3 N4 C12 C13 178.0(5) . .
Li1 N4 C12 C13 -33.2(8) 2_656 .
C10 C11 C12 N4 0.7(6) . .
C10 C11 C12 C13 -177.9(5) . .
N4 C12 C13 F11 -84.2(6) . .
C11 C12 C13 F11 94.3(7) . .
N4 C12 C13 F10 35.9(7) . .
C11 C12 C13 F10 -145.7(6) . .
N4 C12 C13 F12 156.3(5) . .
C11 C12 C13 F12 -25.3(8) . .
Co1 O1 Li1 O1 -103.2(3) . 2_656
Li1 O1 Li1 O1 0.0 2_656 2_656
Co1 O1 Li1 N2 5.4(5) . .
Li1 O1 Li1 N2 108.6(5) 2_656 .
Co1 O1 Li1 N4 153.2(4) . 2_656
Li1 O1 Li1 N4 -103.6(6) 2_656 2_656
Co1 O1 Li1 Li1 -103.2(3) . 2_656
Co1 O1 Li1 Co1 -139.2(2) . 2_656
Li1 O1 Li1 Co1 -36.0(2) 2_656 2_656
Li1 O1 Li1 Co1 103.2(3) 2_656 .
C7 N2 Li1 O1 -175.0(5) . .
N1 N2 Li1 O1 -5.6(6) . .
C7 N2 Li1 O1 -75.3(7) . 2_656
N1 N2 Li1 O1 94.1(5) . 2_656
C7 N2 Li1 N4 39.7(10) . 2_656
N1 N2 Li1 N4 -151.0(6) . 2_656
C7 N2 Li1 Li1 -124.7(7) . 2_656
N1 N2 Li1 Li1 44.7(8) . 2_656
C7 N2 Li1 Co1 -49.2(9) . 2_656
N1 N2 Li1 Co1 120.1(6) . 2_656
C7 N2 Li1 Co1 -171.5(6) . .
N1 N2 Li1 Co1 -2.2(4) . .
N3 Co1 Li1 O1 -73.8(4) . .
N1 Co1 Li1 O1 175.4(4) . .
P1 Co1 Li1 O1 79.6(3) . .
Li1 Co1 Li1 O1 -55.8(4) 2_656 .
O1 Co1 Li1 O1 83.0(4) . 2_656
N3 Co1 Li1 O1 9.2(4) . 2_656
N1 Co1 Li1 O1 -101.6(4) . 2_656
P1 Co1 Li1 O1 162.6(2) . 2_656
Li1 Co1 Li1 O1 27.2(2) 2_656 2_656
O1 Co1 Li1 N2 -174.0(5) . .
N3 Co1 Li1 N2 112.2(3) . .
N1 Co1 Li1 N2 1.4(2) . .
P1 Co1 Li1 N2 -94.4(3) . .
Li1 Co1 Li1 N2 130.2(6) 2_656 .
O1 Co1 Li1 N4 -51.8(8) . 2_656
N3 Co1 Li1 N4 -125.6(8) . 2_656
N1 Co1 Li1 N4 123.6(9) . 2_656
P1 Co1 Li1 N4 27.8(9) . 2_656
Li1 Co1 Li1 N4 -107.6(10) 2_656 2_656
O1 Co1 Li1 Li1 55.8(4) . 2_656
N3 Co1 Li1 Li1 -18.0(5) . 2_656
N1 Co1 Li1 Li1 -128.7(5) . 2_656
P1 Co1 Li1 Li1 135.4(3) . 2_656
O1 Co1 Li1 Co1 55.8(4) . 2_656
N3 Co1 Li1 Co1 -18.0(5) . 2_656
N1 Co1 Li1 Co1 -128.7(5) . 2_656
P1 Co1 Li1 Co1 135.4(3) . 2_656
Li1 Co1 Li1 Co1 0.0 2_656 2_656
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139159588
