#------------------------------------------------------------------------------
#$Date: 2024-04-16 01:47:36 +0300 (Tue, 16 Apr 2024) $
#$Revision: 291203 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/84/7248415.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_7248415
loop_
_publ_author_name
'Igoa, Fernando'
'López Cabrera, Agustín'
'Gonzalez-Platas, Javier'
'Suescun, Leopoldo'
'Kremer, Carlos'
'Torres, Julia'
_publ_section_title
;
 Extended isomerism in heteronuclear metal-organic frameworks: synthetic
 strategies and crystal structures of lanthanide-cobalt-oxydiacetate
 systems
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D4CE00168K
_journal_year                    2024
_chemical_formula_moiety         'C24 H30 Co3 Gd2 O36, 1(O)'
_chemical_formula_sum            'C24 H30 Co3 Gd2 O37'
_chemical_formula_weight         1401.77
_space_group_crystal_system      hexagonal
_space_group_IT_number           192
_space_group_name_Hall           '-P 6 2c'
_space_group_name_H-M_alt        'P 6/m c c'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2023-09-26
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2023-12-28 deposited with the CCDC.	2024-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   14.7363(5)
_cell_length_b                   14.7363(5)
_cell_length_c                   15.6706(6)
_cell_measurement_reflns_used    1935
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.6040
_cell_measurement_theta_min      2.5990
_cell_volume                     2947.09(18)
_computing_cell_refinement       'CrysAlisPro 1.171.41.95a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.95a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.95a (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 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1268
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -23.00  41.00   1.00   30.00    --  -26.73  57.00  30.00   64
  2  ω    -93.00 -45.00   1.00   30.00    --  -26.73-178.00  30.00   48
  3  ω     -1.00  52.00   1.00   30.00    --  -26.73  37.00 -90.00   53
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dualflex, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0359476000
_diffrn_orient_matrix_UB_12      0.0115009000
_diffrn_orient_matrix_UB_13      -0.0205741000
_diffrn_orient_matrix_UB_21      -0.0068145000
_diffrn_orient_matrix_UB_22      -0.0357713000
_diffrn_orient_matrix_UB_23      -0.0330435000
_diffrn_orient_matrix_UB_31      -0.0418467000
_diffrn_orient_matrix_UB_32      -0.0409595000
_diffrn_orient_matrix_UB_33      0.0230714000
_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  0.0472
_diffrn_reflns_av_unetI/netI     0.0349
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.942
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6943
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.942
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.354
_diffrn_reflns_theta_min         1.596
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.130
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.722
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.95a (Rigaku Oxford Diffraction, 2021)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_F_000             1358
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.150
_refine_diff_density_min         -0.446
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     58
_refine_ls_number_reflns         1212
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.156
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0771P)²+11.9038P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1463
_refine_ls_wR_factor_ref         0.1574
_reflns_Friedel_coverage         0.000
_reflns_number_gt                888
_reflns_number_total             1212
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00168k2.cif
_cod_data_source_block           gdco_1
_cod_original_cell_volume        2947.1(2)
_cod_database_code               7248415
_shelx_shelxl_version_number     2019/3
_chemical_oxdiff_formula         'C24 H50 O46 Co3 Gd'
_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.
;
_shelx_estimated_absorpt_t_max   0.940
_shelx_estimated_absorpt_t_min   0.546
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All O(H) groups
2. Others
 Fixed Sof: H1W(0.5) O2W(0.08334)
3.a Rotating group:
 O1W(H1W)
3.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B)
;
_shelx_res_file
;
TITL gdco_a.res in P6/mcc
    gdco.res
    created by SHELXL-2019/3 at 11:44:56 on 26-Sep-2023
REM Old TITL GdCo in P6/mcc
REM SHELXT solution in P6/mcc: R1 0.100, Rweak 0.006, Alpha 0.081
REM <I/s> 0.681 for 192 systematic absences, Orientation as input
REM Formula found by SHELXT: C36 O24 Co3 Gd2
CELL 0.71073 14.7363 14.7363 15.6706 90 90 120
ZERR 2 0.0005 0.0005 0.0006 0 0 0
LATT 1
SYMM -Y,+X-Y,+Z
SYMM +Y-X,-X,+Z
SYMM -X,-Y,+Z
SYMM +Y,-X+Y,+Z
SYMM -Y+X,+X,+Z
SYMM +Y,+X,0.5-Z
SYMM -Y+X,-Y,0.5-Z
SYMM -X,-X+Y,0.5-Z
SYMM -Y,-X,0.5-Z
SYMM +Y-X,+Y,0.5-Z
SYMM +X,+X-Y,0.5-Z
SFAC C H Co Gd O
UNIT 48 60 6 4 74

L.S. 40
PLAN  5
SIZE 0.02 0.04 0.22
CONF
BOND
list 4
MORE -1
BOND $H
fmap 2 53
acta NOHKL
REM <olex2.extras>
REM <HklSrc "%.\\GdCo.hkl">
REM </olex2.extras>

WGHT    0.077100   11.903800
FVAR       0.23590
GD1   4    0.333333    0.666667    0.250000    10.16667    0.02160    0.02160 =
         0.01513    0.00000    0.00000    0.01080
CO1   3    0.500000    0.500000    0.500000    10.25000    0.02577    0.02395 =
         0.01698    0.00000    0.00000    0.01684
O1W   5    0.350226    0.493162    0.500000    10.50000    0.02760    0.04077 =
         0.02543    0.00000    0.00000    0.02063
AFIX   7
H1W   2    0.325916    0.544733    0.461850    10.50000   -1.50000
AFIX   0
O3    5    0.528310    0.764155    0.250000    10.50000    0.02741    0.03014 =
         0.03416    0.01693    0.00000    0.01370
O2    5    0.418710    0.614611    0.355098    11.00000    0.02875    0.03445 =
         0.03038    0.01253   -0.00062    0.01603
O1    5    0.559200    0.614063    0.408264    11.00000    0.03453    0.06370 =
         0.05687    0.04026    0.00672    0.02674
C1    1    0.515378    0.647138    0.359355    11.00000    0.03042    0.03708 =
         0.03584    0.01368    0.00395    0.01653
C2    1    0.586877    0.738726    0.303490    11.00000    0.03363    0.08245 =
         0.07582    0.05930    0.00689    0.02897
AFIX  23
H2A   2    0.631937    0.798595    0.338872    11.00000   -1.20000
H2B   2    0.630925    0.720866    0.269756    11.00000   -1.20000
AFIX   0

O2W   5    0.786757    0.764952    0.500000    10.08334    0.08485
HKLF 4




REM  gdco_a.res in P6/mcc
REM wR2 = 0.1574, GooF = S = 1.156, Restrained GooF = 1.156 for all data
REM R1 = 0.0453 for 888 Fo > 4sig(Fo) and 0.0657 for all 1212 data
REM 58 parameters refined using 0 restraints

END

WGHT      0.0771     11.9157

REM Highest difference peak  1.150,  deepest hole -0.446,  1-sigma level  0.209
Q1    1   0.8087  0.7334  0.5000  10.50000  0.05    1.15
Q2    1   0.7568  0.7961  0.5258  11.00000  0.05    1.14
Q3    1   0.7746  0.7659  0.5359  11.00000  0.05    1.03
Q4    1   0.7886  0.7502  0.4614  11.00000  0.05    1.02
Q5    1   0.8370  0.9769  0.3018  11.00000  0.05    0.88
;
_shelx_res_checksum              89593
_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 1.090
_oxdiff_exptl_absorpt_empirical_full_min 0.874
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z'
'y, -x+y, z'
'x-y, x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z'
'-y, x-y, -z'
'-x+y, -x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'
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
Gd1 Gd 0.333333 0.666667 0.250000 0.0194(3) Uani 1 6 d S T P . .
Co1 Co 0.500000 0.500000 0.500000 0.0203(4) Uani 1 4 d S T P . .
O1W O 0.3502(5) 0.4932(5) 0.500000 0.0297(15) Uani 1 2 d S T P . .
H1W H 0.325916 0.544733 0.461850 0.045 Uiso 0.5 1 d R U P . .
O3 O 0.5283(5) 0.7642(2) 0.250000 0.0309(14) Uani 1 2 d S T P . .
O2 O 0.4187(3) 0.6146(3) 0.3551(3) 0.0311(11) Uani 1 1 d . . . . .
O1 O 0.5592(4) 0.6141(5) 0.4083(4) 0.0507(16) Uani 1 1 d . . . . .
C1 C 0.5154(5) 0.6471(6) 0.3594(5) 0.0346(16) Uani 1 1 d . . . . .
C2 C 0.5869(6) 0.7387(7) 0.3035(6) 0.064(3) Uani 1 1 d . . . . .
H2A H 0.631937 0.798595 0.338872 0.077 Uiso 1 1 calc R U . . .
H2B H 0.630925 0.720866 0.269756 0.077 Uiso 1 1 calc R U . . .
O2W O 0.787(6) 0.765(5) 0.500000 0.085(19) Uiso 0.1667 2 d S . P . .
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
Gd1 0.0216(3) 0.0216(3) 0.0151(4) 0.000 0.000 0.01080(15)
Co1 0.0258(9) 0.0240(9) 0.0170(8) 0.000 0.000 0.0168(7)
O1W 0.028(3) 0.041(4) 0.025(3) 0.000 0.000 0.021(3)
O3 0.027(3) 0.030(2) 0.034(3) 0.017(3) 0.000 0.0137(16)
O2 0.029(2) 0.034(2) 0.030(2) 0.013(2) -0.001(2) 0.016(2)
O1 0.035(3) 0.064(4) 0.057(4) 0.040(3) 0.007(3) 0.027(3)
C1 0.030(4) 0.037(4) 0.036(4) 0.014(3) 0.004(3) 0.017(3)
C2 0.034(4) 0.082(7) 0.076(7) 0.059(6) 0.007(4) 0.029(4)
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'
H H 0.0000 0.0000 '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'
Gd Gd -0.1653 3.9035 '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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-3 -2 0 0.0193
3 2 0 0.0193
1 1 5 0.0998
-1 0 -5 0.0925
5 -7 0 0.0154
-5 7 0 0.0077
5 -2 1 0.0167
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
O3 Gd1 O3 120.0 2_665 3_565 ?
O3 Gd1 O3 120.000(1) 2_665 . ?
O3 Gd1 O3 120.0 . 3_565 ?
O2 Gd1 O3 136.49(12) 2_665 3_565 ?
O2 Gd1 O3 74.06(11) 10_665 . ?
O2 Gd1 O3 63.22(10) 10_665 3_565 ?
O2 Gd1 O3 136.49(12) 12_565 3_565 ?
O2 Gd1 O3 63.22(10) . . ?
O2 Gd1 O3 136.49(12) 3_565 . ?
O2 Gd1 O3 74.06(10) 11 3_565 ?
O2 Gd1 O3 74.06(10) 3_565 2_665 ?
O2 Gd1 O3 63.22(10) 11 2_665 ?
O2 Gd1 O3 74.06(10) 2_665 . ?
O2 Gd1 O3 63.22(10) 3_565 3_565 ?
O2 Gd1 O3 136.49(12) 11 . ?
O2 Gd1 O3 74.06(10) 12_565 2_665 ?
O2 Gd1 O3 136.49(12) 10_665 2_665 ?
O2 Gd1 O3 63.22(10) 2_665 2_665 ?
O2 Gd1 O3 74.06(11) . 3_565 ?
O2 Gd1 O3 136.49(12) . 2_665 ?
O2 Gd1 O3 63.22(10) 12_565 . ?
O2 Gd1 O2 78.72(18) 2_665 . ?
O2 Gd1 O2 126.4(2) 2_665 11 ?
O2 Gd1 O2 78.72(18) 12_565 10_665 ?
O2 Gd1 O2 87.0(2) . 10_665 ?
O2 Gd1 O2 78.72(18) 11 12_565 ?
O2 Gd1 O2 78.72(18) 2_665 3_565 ?
O2 Gd1 O2 78.72(18) 3_565 . ?
O2 Gd1 O2 148.1(2) 11 . ?
O2 Gd1 O2 148.1(2) 2_665 10_665 ?
O2 Gd1 O2 87.0(2) 2_665 12_565 ?
O2 Gd1 O2 87.0(2) 11 3_565 ?
O2 Gd1 O2 126.4(2) 12_565 . ?
O2 Gd1 O2 148.1(2) 12_565 3_565 ?
O2 Gd1 O2 126.4(2) 3_565 10_665 ?
O2 Gd1 O2 78.72(18) 11 10_665 ?
O1W Co1 O1W 180.0 . 13_666 ?
O1 Co1 O1W 92.54(18) 4_665 13_666 ?
O1 Co1 O1W 87.46(18) . 13_666 ?
O1 Co1 O1W 87.46(18) 16_556 13_666 ?
O1 Co1 O1W 92.54(18) 13_666 13_666 ?
O1 Co1 O1W 92.54(18) 16_556 . ?
O1 Co1 O1W 92.54(18) . . ?
O1 Co1 O1W 87.46(18) 4_665 . ?
O1 Co1 O1W 87.46(18) 13_666 . ?
O1 Co1 O1 180.0(3) 16_556 4_665 ?
O1 Co1 O1 90.7(4) 16_556 13_666 ?
O1 Co1 O1 180.0(3) . 13_666 ?
O1 Co1 O1 89.3(4) . 16_556 ?
O1 Co1 O1 90.7(4) . 4_665 ?
O1 Co1 O1 89.3(4) 4_665 13_666 ?
Co1 O1W H1W 128.0 . . ?
C2 O3 Gd1 122.7(4) . . ?
C2 O3 Gd1 122.7(4) 12_565 . ?
C2 O3 C2 114.5(8) 12_565 . ?
C1 O2 Gd1 125.8(4) . . ?
C1 O1 Co1 131.4(5) . . ?
O2 C1 C2 117.5(6) . . ?
O1 C1 O2 126.4(6) . . ?
O1 C1 C2 116.1(6) . . ?
O3 C2 C1 110.1(6) . . ?
O3 C2 H2A 109.6 . . ?
O3 C2 H2B 109.6 . . ?
C1 C2 H2A 109.6 . . ?
C1 C2 H2B 109.6 . . ?
H2A C2 H2B 108.2 . . ?
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
Gd1 O3 2.488(6) . ?
Gd1 O3 2.488(6) 3_565 ?
Gd1 O3 2.488(6) 2_665 ?
Gd1 O2 2.418(4) 10_665 ?
Gd1 O2 2.418(4) 2_665 ?
Gd1 O2 2.418(4) 12_565 ?
Gd1 O2 2.418(4) 11 ?
Gd1 O2 2.418(4) 3_565 ?
Gd1 O2 2.418(4) . ?
Co1 O1W 2.159(6) 13_666 ?
Co1 O1W 2.158(6) . ?
Co1 O1 2.046(5) 4_665 ?
Co1 O1 2.046(5) 13_666 ?
Co1 O1 2.046(5) 16_556 ?
Co1 O1 2.046(5) . ?
O1W H1W 1.1556 . ?
O3 C2 1.383(8) 12_565 ?
O3 C2 1.383(8) . ?
O2 C1 1.257(8) . ?
O1 C1 1.248(8) . ?
C1 C2 1.509(10) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
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
Gd1 O3 C2 C1 -0.6(10) . . . . ?
Gd1 O2 C1 O1 -173.1(6) . . . . ?
Gd1 O2 C1 C2 10.3(10) . . . . ?
Co1 O1 C1 O2 -0.7(13) . . . . ?
Co1 O1 C1 C2 175.9(6) . . . . ?
O2 C1 C2 O3 -5.8(12) . . . . ?
O1 C1 C2 O3 177.2(7) . . . . ?
C2 O3 C2 C1 179.4(10) 12_565 . . . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-3.0000 -2.0000 0.0000 0.0848 0.0920 0.2075
3.0000 2.0000 -0.0000 -0.0848 -0.0920 -0.2075
1.0000 1.0000 5.0000 -0.1273 -0.2078 0.0326
-1.0000 -0.0000 -5.0000 0.1388 0.1720 -0.0735
5.0000 -7.0000 0.0000 -0.2602 0.2163 0.0775
-5.0000 7.0000 -0.0000 0.2602 -0.2163 -0.0775
5.0000 -2.0000 1.0000 -0.2233 0.0044 -0.1042
