#------------------------------------------------------------------------------
#$Date: 2023-10-06 03:04:47 +0300 (Fri, 06 Oct 2023) $
#$Revision: 286733 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/71/7247178.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_7247178
loop_
_publ_author_name
'Yue, Zhi-Yuan'
'Liao, Rong-Meng'
'Luo, Wang'
'Wang, Na'
'Miao, Le-Ping'
'Ye, Heng-Yun'
'Shi, Chao'
_publ_section_title
;
 A room-temperature nitrite-based hybrid bimetal molecular ferroelectric
 material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]
;
_journal_issue                   36
_journal_name_full               CrystEngComm
_journal_page_first              5085
_journal_page_last               5091
_journal_paper_doi               10.1039/D3CE00536D
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'Co Li N6 O12, 2(C7 H13 N O)'
_chemical_formula_sum            'C14 H28 Co Li N8 O14'
_chemical_formula_weight         598.31
_space_group_crystal_system      trigonal
_space_group_IT_number           150
_space_group_name_Hall           'P 3 2"'
_space_group_name_H-M_alt        'P 3 2 1'
_audit_creation_date             2023-03-08
_audit_creation_method
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_audit_update_record
;
2023-03-11 deposited with the CCDC.	2023-08-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.9786(3)
_cell_length_b                   9.9786(3)
_cell_length_c                   7.0265(3)
_cell_measurement_reflns_used    6087
_cell_measurement_temperature    350(15)
_cell_measurement_theta_max      31.1600
_cell_measurement_theta_min      2.3460
_cell_volume                     605.91(4)
_computing_cell_refinement       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      350(15)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.913
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -13.00  67.00   0.50    1.50    --    4.92  77.00 150.00  160
  2  ω     -6.00  77.00   0.50    1.50    --    4.92  19.00 150.00  166
  3  ω    -14.00  37.00   0.50    1.50    --    4.92 -99.00 120.00  102
  4  ω    -68.00  -4.00   0.50    1.50    --   -5.39 -57.00   0.00  128
  5  ω    -72.00   7.00   0.50    1.50    --   -5.39 -57.00-150.00  158
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0013938000
_diffrn_orient_matrix_UB_12      0.0508228000
_diffrn_orient_matrix_UB_13      0.0702324000
_diffrn_orient_matrix_UB_21      -0.0015112000
_diffrn_orient_matrix_UB_22      -0.0486465000
_diffrn_orient_matrix_UB_23      0.0731944000
_diffrn_orient_matrix_UB_31      0.0415670000
_diffrn_orient_matrix_UB_32      -0.0034619000
_diffrn_orient_matrix_UB_33      0.0030787000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_av_unetI/netI     0.0244
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.913
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            9303
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.883
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.015
_diffrn_reflns_theta_min         2.357
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Mova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.775
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66747
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.112a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear reddish red'
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_description       block
_exptl_crystal_F_000             234
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.707
_refine_diff_density_min         -0.769
_refine_diff_density_rms         0.243
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.44(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.332
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     87
_refine_ls_number_reflns         1141
_refine_ls_number_restraints     104
_refine_ls_restrained_S_all      1.578
_refine_ls_R_factor_all          0.1227
_refine_ls_R_factor_gt           0.1150
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2907
_refine_ls_wR_factor_ref         0.2977
_reflns_Friedel_coverage         0.675
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.842
_reflns_number_gt                956
_reflns_number_total             1141
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ce00536d2.cif
_cod_data_source_block           1-350K
_cod_depositor_comments
'Adding full bibliography for 7247177--7247178.cif.'
_cod_database_code               7247178
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C N H O Li Co '
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.55682
 0.44318
2. Restrained distances
 C3-C2 = C3-C2_$1 = C3-C2_$2
 1.5 with sigma of 0.002
 N2-C3
 2.523 with sigma of 0.002
 O4-C2 = O4-C2 = O4-C2
 1.43 with sigma of 0.002
 N2-C1
 1.5 with sigma of 0.002
 C1-C2
 1.53 with sigma of 0.002
 O4-C3
 2.43 with sigma of 0.002
 O4-C1
 2.38 with sigma of 0.002
 C1-C3
 2.42 with sigma of 0.002
 O4-N2
 2.47 with sigma of 0.002
 C2-N2
 2.3 with sigma of 0.002
3. Uiso/Uaniso restraints and constraints
C2 \\sim O4 \\sim C1 \\sim N2 \\sim C3: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
N2 \\sim C2 \\sim C1 \\sim O4 \\sim C3: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C2 \\sim C1 \\sim O4 \\sim C3 \\sim N2: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
Uanis(C1) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(C3) \\sim
Ueq, Uanis(N2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(O2) \\sim Ueq, Uanis(O1) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C1, C2, O4, C3, N2
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C3, C2, C1, O4, N2
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
5. Others
 Fixed Sof: O1(0.5) C2(0.3333) C1(0.3333) O4(0.3333) N2(0.3333) O2(0.5)
 C3(0.3333)
;
_shelx_res_file
;
TITL a_b.res in P321
    1_350k.res
    created by SHELXL-2018/3 at 16:02:02 on 08-Mar-2023
REM Old TITL a in P321
REM SHELXT solution in P321: R1 0.219, Rweak 0.061, Alpha 0.065
REM <I/s> 0.000 for 0 systematic absences, Orientation as input
REM Flack x = 0.438 ( 0.027 ) from 327 Parsons' quotients
REM Formula found by SHELXT: C42 Li O6 Co
CELL 0.71073 9.9786 9.9786 7.0265 90 90 120
ZERR 6 0.0003 0.0003 0.0003 0 0 0
LATT -1
SYMM -Y,+X-Y,+Z
SYMM +Y-X,-X,+Z
SYMM +Y,+X,-Z
SYMM -Y+X,-Y,-Z
SYMM -X,-X+Y,-Z
SFAC C Co Li N O
UNIT 6 1 1 8 14
EQIV $1 +Y-X,1-X,+Z
EQIV $2 1-Y,1+X-Y,+Z
DFIX 1.5 0.002 C3 C2 C3 C2_$1 C3 C2_$2
DFIX 2.523 0.002 N2 C3
DFIX 1.43 0.002 O4 C2 O4 C2 O4 C2
DFIX 1.5 0.002 N2 C1
DFIX 1.53 0.002 C1 C2
DFIX 2.43 0.002 O4 C3
DFIX 2.38 0.002 O4 C1
SIMU 0.01 0.02 2 C2 O4 C1 N2 C3
DFIX 2.42 0.002 C1 C3
RIGU 0.001 0.002 C1 C2 O4 C3 N2
SIMU 0.01 0.02 2 N2 C2 C1 O4 C3
DFIX 2.47 0.002 O4 N2
DFIX 2.3 0.002 C2 N2
SIMU 0.01 0.02 2 C2 C1 O4 C3 N2
ISOR 0.01 0.02 C1 C2 O4 C3 N2
RIGU 0.01 0.02 C3 C2 C1 O4 N2
ISOR 0.01 0.02 O2 O1

L.S. 30
PLAN  11
TEMP 23.89
CONF
LIST 6
MORE -1
fmap 2
acta
TWIN -1 0 0 0 -1 0 0 0 -1 2
OMIT 0 3 0
REM <olex2.extras>
REM <HklSrc "%.\\1_350K.hkl">
REM </olex2.extras>

WGHT    0.200000
BASF   0.44318
FVAR       1.13466
CO1   2    0.000000    0.000000    0.500000    10.16667    0.06472    0.06472 =
         0.03012    0.00000    0.00000    0.03236
O3    5    0.083518    0.188464    0.825293    11.00000    0.12333    0.06173 =
         0.04168   -0.00626   -0.00761    0.03779
N1    4    0.103184    0.186043    0.654726    11.00000    0.11043    0.05944 =
         0.04464    0.00378   -0.00735    0.01986
O1    5    0.196784    0.311209    0.569838    10.50000    0.09005    0.05207 =
         0.05214    0.01361   -0.00253    0.00930
LI1   3    0.000000    0.000000    1.000000    10.16667    0.05618    0.05618 =
         0.04344    0.00000    0.00000    0.02809
PART -1
C2    1    0.408442    0.603987    1.255414    10.33333    0.18381    0.18440 =
         0.17952    0.01110   -0.00417    0.09096
C1    1    0.509890    0.743019    1.122692    10.33333    0.17466    0.17567 =
         0.18422    0.00676   -0.00558    0.08602
O4    5    0.295355    0.488737    1.131277    10.33333    0.18235    0.15039 =
         0.15927    0.03681   -0.00306    0.09102
N2    4    0.378454    0.760161    1.044186    10.33333    0.16576    0.15797 =
         0.20047    0.02044   -0.00050    0.07285

PART 0
O2    5    0.077387    0.312146    0.588295    10.50000    0.10801    0.07438 =
         0.07939    0.00910   -0.00708    0.04000

PART -1
C3    1    0.332582    0.667344    1.386053    10.33333    0.22866    0.22081 =
         0.20977   -0.01254    0.01892    0.10363
HKLF 4




REM  a_b.res in P321
REM wR2 = 0.2977, GooF = S = 1.332, Restrained GooF = 1.578 for all data
REM R1 = 0.1150 for 956 Fo > 4sig(Fo) and 0.1227 for all 1141 data
REM 87 parameters refined using 104 restraints

END

WGHT      0.2000      0.0000

REM Highest difference peak  1.707,  deepest hole -0.769,  1-sigma level  0.243
Q1    1   0.4669  0.7320  1.2783  11.00000  0.05    1.37
Q2    1   0.3801  0.7626  0.9346  11.00000  0.05    1.12
Q3    1   0.3766  0.8093  1.1156  11.00000  0.05    1.02
Q4    1   0.3610  0.5401  1.2373  11.00000  0.05    0.85
Q5    1   0.3689  0.8627  0.9248  11.00000  0.05    0.58
Q6    1   0.3546  0.4712  0.9568  11.00000  0.05    0.53
Q7    1   0.0000  0.0000  0.3218  10.33333  0.05    0.20
Q8    1   0.3333  0.6667  1.5349  10.33333  0.05    0.18
Q9    1   0.0585  0.1090  0.6003  11.00000  0.05    0.17
Q10   1   0.2725  0.7038  1.5454  11.00000  0.05    0.14
Q11   1   0.0608  0.1294  0.7326  11.00000  0.05    0.13
;
_shelx_res_checksum              76684
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.895
_oxdiff_exptl_absorpt_empirical_full_min 0.316
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.000000 0.000000 0.500000 0.0532(8) Uani 1 6 d S T P . .
O3 O 0.0835(15) 0.1885(7) 0.8253(6) 0.079(2) Uani 1 1 d . . . . .
N1 N 0.103(2) 0.1860(7) 0.6547(7) 0.082(3) Uani 1 1 d . . . . .
O1 O 0.197(2) 0.3112(17) 0.570(2) 0.076(5) Uani 0.5 1 d . U P . .
Li1 Li 0.000000 0.000000 1.000000 0.052(4) Uani 1 6 d S T P . .
C2 C 0.408(3) 0.604(3) 1.255(3) 0.183(10) Uani 0.3333 1 d D U P A -1
C1 C 0.510(3) 0.743(4) 1.123(3) 0.179(10) Uani 0.3333 1 d D U P A -1
O4 O 0.295(4) 0.489(2) 1.131(3) 0.161(10) Uani 0.3333 1 d D U P A -1
N2 N 0.378(6) 0.760(3) 1.044(3) 0.178(12) Uani 0.3333 1 d D U P A -1
O2 O 0.077(3) 0.312(2) 0.588(3) 0.090(6) Uani 0.5 1 d . U P . .
C3 C 0.3326(3) 0.6673(3) 1.386(3) 0.224(13) Uani 0.3333 1 d D U P A -1
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Co1 0.0647(9) 0.0647(9) 0.0301(9) 0.000 0.000 0.0324(4)
O3 0.123(8) 0.062(2) 0.042(2) -0.0063(15) -0.008(5) 0.038(6)
N1 0.110(7) 0.059(3) 0.045(2) 0.004(2) -0.007(6) 0.020(7)
O1 0.090(9) 0.052(5) 0.052(5) 0.014(4) -0.003(5) 0.009(5)
Li1 0.056(6) 0.056(6) 0.043(9) 0.000 0.000 0.028(3)
C2 0.184(13) 0.184(12) 0.180(12) 0.011(8) -0.004(9) 0.091(9)
C1 0.175(13) 0.176(13) 0.184(13) 0.007(9) -0.006(9) 0.086(9)
O4 0.182(17) 0.150(14) 0.159(15) 0.037(11) -0.003(12) 0.091(11)
N2 0.166(16) 0.158(18) 0.200(19) 0.020(14) 0.000(15) 0.073(14)
O2 0.108(10) 0.074(8) 0.079(10) 0.009(7) -0.007(8) 0.040(7)
C3 0.23(2) 0.221(19) 0.210(17) -0.013(15) 0.019(14) 0.104(14)
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'
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'
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
_geom_angle_publ_flag
N1 Co1 N1 174.0(12) . 5_556 ?
N1 Co1 N1 92.7(10) 3 4_556 ?
N1 Co1 N1 84.1(9) . 4_556 ?
N1 Co1 N1 91.8(2) 6_556 4_556 ?
N1 Co1 N1 174.0(12) 6_556 3 ?
N1 Co1 N1 91.8(2) 3 2 ?
N1 Co1 N1 91.8(2) . 3 ?
N1 Co1 N1 92.7(10) . 6_556 ?
N1 Co1 N1 84.1(9) 5_556 3 ?
N1 Co1 N1 92.7(10) 5_556 2 ?
N1 Co1 N1 174.0(12) 4_556 2 ?
N1 Co1 N1 91.8(2) 5_556 6_556 ?
N1 Co1 N1 91.8(2) . 2 ?
N1 Co1 N1 91.8(2) 5_556 4_556 ?
N1 Co1 N1 84.1(9) 6_556 2 ?
N1 O3 Li1 124.7(6) . . ?
O3 N1 Co1 123.8(6) . . ?
O3 N1 O1 119.2(10) . . ?
O3 N1 O2 101.3(14) . . ?
O1 N1 Co1 117.0(9) . . ?
O1 N1 O2 51.1(11) . . ?
O2 N1 Co1 113.7(13) . . ?
O2 O1 N1 73.4(19) . . ?
O3 Li1 O3 87.60(19) 2 . ?
O3 Li1 O3 88.4(6) 2 5_557 ?
O3 Li1 O3 87.60(19) 3 . ?
O3 Li1 O3 96.7(6) 3 5_557 ?
O3 Li1 O3 174.0(8) 2 4_557 ?
O3 Li1 O3 174.0(8) 5_557 . ?
O3 Li1 O3 174.0(8) 6_557 3 ?
O3 Li1 O3 87.60(19) 6_557 5_557 ?
O3 Li1 O3 87.60(19) 6_557 4_557 ?
O3 Li1 O3 87.59(19) 5_557 4_557 ?
O3 Li1 O3 96.7(6) 6_557 2 ?
O3 Li1 O3 88.4(6) 6_557 . ?
O3 Li1 O3 96.7(6) . 4_557 ?
O3 Li1 O3 87.60(19) 3 2 ?
O3 Li1 O3 88.4(6) 3 4_557 ?
O4 C2 C1 104.53(19) . . ?
O4 C2 C3 110.2(2) . . ?
C3 C2 C1 103.27(19) . . ?
N2 C1 C2 96.05(16) . . ?
O1 O2 N1 55.5(14) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 N1 1.943(6) . ?
Co1 N1 1.943(6) 3 ?
Co1 N1 1.943(6) 6_556 ?
Co1 N1 1.943(6) 2 ?
Co1 N1 1.943(6) 4_556 ?
Co1 N1 1.943(6) 5_556 ?
O3 N1 1.217(8) . ?
O3 Li1 2.042(5) . ?
N1 O1 1.273(16) . ?
N1 O2 1.48(3) . ?
O1 O2 1.20(3) . ?
C2 C1 1.554(2) . ?
C2 O4 1.4349(16) . ?
C2 C3 1.515(3) . ?
C1 N2 1.509(3) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 N1 O1 O2 100(2) . . . . ?
Co1 N1 O2 O1 -106.4(18) . . . . ?
O3 N1 O1 O2 -81(2) . . . . ?
O3 N1 O2 O1 118.6(18) . . . . ?
Li1 O3 N1 Co1 21(3) . . . . ?
Li1 O3 N1 O1 -158.7(15) . . . . ?
Li1 O3 N1 O2 149.8(13) . . . . ?
O4 C2 C1 N2 56.1(3) . . . . ?
C3 C2 C1 N2 -59.3(3) . . . . ?
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.55682
2 0.44318
