#------------------------------------------------------------------------------
#$Date: 2021-01-07 17:41:41 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260831 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/99/1559973.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_1559973
loop_
_publ_author_name
'Lukyanov, Daniil A.'
'Borisova, Anna S.'
'Levin, Oleg V.'
_publ_section_title
;
 6,6′-{[Ethane-1,2-diylbis(azaneylylidene)]bis(methaneylylidene)}bis[2-(hexyloxy)phenolato]
 Nickel(II)
;
_journal_issue                   4
_journal_name_full               Molbank
_journal_page_first              M1174
_journal_paper_doi               10.3390/M1174
_journal_volume                  2020
_journal_year                    2020
_chemical_formula_moiety         'C28 H38 N2 Ni O4, C H2 Cl2'
_chemical_formula_sum            'C29 H40 Cl2 N2 Ni O4'
_chemical_formula_weight         610.24
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2020-03-18
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                97.065(3)
_cell_angle_beta                 101.868(3)
_cell_angle_gamma                93.363(3)
_cell_formula_units_Z            2
_cell_length_a                   7.6002(3)
_cell_length_b                   13.6714(5)
_cell_length_c                   14.7436(5)
_cell_measurement_reflns_used    4450
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      28.7290
_cell_measurement_theta_min      3.0230
_cell_volume                     1482.24(10)
_computing_cell_refinement       'CrysAlisPro 1.171.40.71a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.71a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.71a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2096
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -38.00  42.00   1.00  120.00    --   20.13 -57.00 120.00   80
  2  ω    -48.00  40.00   1.00  120.00    --   20.13 -57.00   0.00   88
  3  ω     -7.00  26.00   1.00  120.00    --   20.13  77.00 120.00   33
  4  ω     -6.00  25.00   1.00  120.00    --   20.13  77.00   0.00   31
  5  ω     -5.00  34.00   1.00  120.00    --   20.13  77.00-120.00   39
  6  ω    -50.00  45.00   1.00  120.00    --   20.13 -38.00-120.00   95
  7  ω      9.00  51.00   1.00  120.00    --   20.13  57.00 -90.00   42
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0509173000
_diffrn_orient_matrix_UB_12      0.0414042000
_diffrn_orient_matrix_UB_13      0.0294114000
_diffrn_orient_matrix_UB_21      -0.0310825000
_diffrn_orient_matrix_UB_22      0.0307829000
_diffrn_orient_matrix_UB_23      -0.0342712000
_diffrn_orient_matrix_UB_31      -0.0748607000
_diffrn_orient_matrix_UB_32      0.0095802000
_diffrn_orient_matrix_UB_33      0.0205967000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_av_unetI/netI     0.0421
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.897
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11770
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.897
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.498
_diffrn_reflns_theta_min         2.749
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.871
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90820
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.71a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear brownish brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   brownish
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_description       prism
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.836
_refine_diff_density_min         -0.437
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         6749
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0355
_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/[σ²(Fo²)+(0.0325P)²+0.5939P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0759
_refine_ls_wR_factor_ref         0.0833
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5469
_reflns_number_total             6749
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            s5.cif
_cod_data_source_block           15823_bas001
_cod_database_code               1559973
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C28 H38 N2 Ni1 O4'
_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   0.888
_shelx_estimated_absorpt_t_min   0.818
_reflns_odcompleteness_completeness 99.90
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C00F(H00A,H00B), C00K(H00D,H00F), C00N(H00G,H00H), C00Q(H00K,H00L), C00R(H00N,
 H00Q), C00T(H00R,H00T), C00U(H00U,H00V), C00V(H0AA,H), C00W(H00W,H00X),
 C00X(H00Y,HA), C00Y(H00Z,HB), C010(H01A,H01B), C011(H01C,H01D)
2.b Aromatic/amide H refined with riding coordinates:
 C00C(H00C), C00E(H00E), C00I(H00I), C00J(H00J), C00M(H00M), C00O(H00O),
 C00P(H00P), C00S(H00S)
2.c Idealised Me refined as rotating group:
 C00Z(H00,HC,HD), C012(H01E,H01F,H01G)
;
_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 1.127
_oxdiff_exptl_absorpt_empirical_full_min 0.881
loop_
_space_group_symop_operation_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_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
Ni01 Ni 0.34550(3) 0.56802(2) 0.53069(2) 0.01428(7) Uani 1 1 d . . . . .
Cl00 Cl 0.11283(7) 0.82657(4) 0.46222(4) 0.02639(12) Uani 1 1 d . . . . .
Cl1 Cl 0.09346(8) 0.80999(5) 0.26158(4) 0.03915(15) Uani 1 1 d . . . . .
O004 O 0.45405(17) 0.68960(9) 0.52147(9) 0.0162(3) Uani 1 1 d . . . . .
O005 O 0.28656(17) 0.55388(9) 0.40187(9) 0.0164(3) Uani 1 1 d . . . . .
O006 O 0.24714(18) 0.56764(10) 0.22510(9) 0.0191(3) Uani 1 1 d . . . . .
O007 O 0.60591(18) 0.84434(10) 0.47208(9) 0.0192(3) Uani 1 1 d . . . . .
N008 N 0.2464(2) 0.44314(12) 0.53719(11) 0.0161(3) Uani 1 1 d . . . . .
N009 N 0.3968(2) 0.58572(12) 0.65973(11) 0.0158(3) Uani 1 1 d . . . . .
C00A C 0.1878(2) 0.48082(14) 0.34492(13) 0.0150(4) Uani 1 1 d . . . . .
C00B C 0.5382(2) 0.75678(14) 0.58997(13) 0.0152(4) Uani 1 1 d . . . . .
C00C C 0.4801(3) 0.66286(15) 0.71467(13) 0.0178(4) Uani 1 1 d . . . . .
H00C H 0.493439 0.661740 0.778660 0.021 Uiso 1 1 calc R . . . .
C00D C 0.5535(3) 0.74971(14) 0.68608(13) 0.0172(4) Uani 1 1 d . . . . .
C00E C 0.7095(3) 0.91872(15) 0.63506(13) 0.0194(4) Uani 1 1 d . . . . .
H00E H 0.761996 0.975068 0.618337 0.023 Uiso 1 1 calc R . . . .
C00F C 0.3033(3) 0.41158(14) 0.63043(13) 0.0191(4) Uani 1 1 d . . . . .
H00A H 0.418031 0.382826 0.635720 0.023 Uiso 1 1 calc R . . . .
H00B H 0.214124 0.362875 0.640817 0.023 Uiso 1 1 calc R . . . .
C00G C 0.1587(3) 0.48595(14) 0.24667(13) 0.0163(4) Uani 1 1 d . . . . .
C00H C 0.1110(2) 0.39598(14) 0.37310(13) 0.0161(4) Uani 1 1 d . . . . .
C00I C 0.0528(3) 0.41327(15) 0.18275(13) 0.0189(4) Uani 1 1 d . . . . .
H00I H 0.032567 0.418982 0.119306 0.023 Uiso 1 1 calc R . . . .
C00J C 0.1520(3) 0.38105(14) 0.46937(13) 0.0172(4) Uani 1 1 d . . . . .
H00J H 0.106895 0.321706 0.484137 0.021 Uiso 1 1 calc R . . . .
C00K C 0.3203(3) 0.50413(15) 0.70066(13) 0.0191(4) Uani 1 1 d . . . . .
H00D H 0.202947 0.518347 0.712552 0.023 Uiso 1 1 calc R . . . .
H00F H 0.399116 0.495488 0.759317 0.023 Uiso 1 1 calc R . . . .
C00L C 0.6221(2) 0.84413(14) 0.56652(13) 0.0163(4) Uani 1 1 d . . . . .
C00M C 0.0053(3) 0.32166(14) 0.30565(14) 0.0191(4) Uani 1 1 d . . . . .
H00M H -0.044257 0.266022 0.324926 0.023 Uiso 1 1 calc R . . . .
C00N C 0.6835(3) 0.93056(14) 0.44327(13) 0.0177(4) Uani 1 1 d . . . . .
H00G H 0.811503 0.941052 0.471126 0.021 Uiso 1 1 calc R . . . .
H00H H 0.626200 0.988532 0.463347 0.021 Uiso 1 1 calc R . . . .
C00O C -0.0252(3) 0.33030(14) 0.21232(14) 0.0193(4) Uani 1 1 d . . . . .
H00O H -0.097162 0.281530 0.168670 0.023 Uiso 1 1 calc R . . . .
C00P C 0.7201(3) 0.91059(15) 0.73020(13) 0.0211(4) Uani 1 1 d . . . . .
H00P H 0.778259 0.961734 0.775984 0.025 Uiso 1 1 calc R . . . .
C00Q C 0.7322(3) 1.00291(15) 0.30123(14) 0.0197(4) Uani 1 1 d . . . . .
H00K H 0.673941 1.060950 0.320086 0.024 Uiso 1 1 calc R . . . .
H00L H 0.859959 1.015028 0.329438 0.024 Uiso 1 1 calc R . . . .
C00R C 0.6542(3) 0.91401(15) 0.33799(14) 0.0204(4) Uani 1 1 d . . . . .
H00N H 0.525925 0.902431 0.310981 0.024 Uiso 1 1 calc R . . . .
H00Q H 0.711187 0.855608 0.318749 0.024 Uiso 1 1 calc R . . . .
C00S C 0.6451(3) 0.82781(15) 0.75527(13) 0.0201(4) Uani 1 1 d . . . . .
H00S H 0.654003 0.822377 0.818278 0.024 Uiso 1 1 calc R . . . .
C00T C 0.7725(3) 1.07981(15) 0.15783(14) 0.0225(4) Uani 1 1 d . . . . .
H00R H 0.697081 1.132510 0.170320 0.027 Uiso 1 1 calc R . . . .
H00T H 0.894922 1.101434 0.191478 0.027 Uiso 1 1 calc R . . . .
C00U C 0.7077(3) 0.98809(15) 0.19525(14) 0.0223(4) Uani 1 1 d . . . . .
H00U H 0.580888 0.970859 0.167092 0.027 Uiso 1 1 calc R . . . .
H00V H 0.773858 0.933187 0.176797 0.027 Uiso 1 1 calc R . . . .
C00V C 0.1975(3) 0.76905(16) 0.36762(14) 0.0240(4) Uani 1 1 d . . . . .
H0AA H 0.174445 0.697817 0.362365 0.029 Uiso 1 1 calc R . . . .
H H 0.327034 0.784767 0.379288 0.029 Uiso 1 1 calc R . . . .
C00W C 0.2468(3) 0.57075(15) 0.12889(13) 0.0217(4) Uani 1 1 d . . . . .
H00W H 0.127636 0.582655 0.095651 0.026 Uiso 1 1 calc R . . . .
H00X H 0.278255 0.508090 0.100732 0.026 Uiso 1 1 calc R . . . .
C00X C 0.5485(3) 0.73100(16) 0.01080(14) 0.0256(5) Uani 1 1 d . . . . .
H00Y H 0.536613 0.737029 -0.055005 0.031 Uiso 1 1 calc R . . . .
HA H 0.534611 0.795414 0.043017 0.031 Uiso 1 1 calc R . . . .
C00Y C 0.3831(3) 0.65324(16) 0.12258(13) 0.0218(4) Uani 1 1 d . . . . .
H00Z H 0.500327 0.642775 0.159170 0.026 Uiso 1 1 calc R . . . .
HB H 0.347927 0.715854 0.148709 0.026 Uiso 1 1 calc R . . . .
C00Z C 0.8843(3) 0.76622(16) 0.02273(15) 0.0272(5) Uani 1 1 d . . . . .
H00 H 0.867765 0.759171 -0.044153 0.041 Uiso 1 1 calc GR . . . .
HC H 1.000247 0.745716 0.049246 0.041 Uiso 1 1 calc GR . . . .
HD H 0.877940 0.834201 0.046561 0.041 Uiso 1 1 calc GR . . . .
C010 C 0.7367(3) 0.70198(16) 0.04900(16) 0.0277(5) Uani 1 1 d . . . . .
H01A H 0.744368 0.633387 0.025043 0.033 Uiso 1 1 calc R . . . .
H01B H 0.756922 0.707454 0.116640 0.033 Uiso 1 1 calc R . . . .
C011 C 0.3969(3) 0.65766(17) 0.02130(14) 0.0256(5) Uani 1 1 d . . . . .
H01C H 0.283085 0.675713 -0.013036 0.031 Uiso 1 1 calc R . . . .
H01D H 0.415929 0.592247 -0.006782 0.031 Uiso 1 1 calc R . . . .
C012 C 0.7689(3) 1.06330(18) 0.05365(16) 0.0346(6) Uani 1 1 d . . . . .
H01E H 0.649064 1.039728 0.019807 0.052 Uiso 1 1 calc GR . . . .
H01F H 0.851137 1.015221 0.041260 0.052 Uiso 1 1 calc GR . . . .
H01G H 0.804271 1.124533 0.034037 0.052 Uiso 1 1 calc GR . . . .
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'
Cl Cl 0.1484 0.1585 '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'
Ni Ni 0.3393 1.1124 '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
O004 Ni01 N008 176.91(6) . . ?
O005 Ni01 O004 84.68(6) . . ?
O005 Ni01 N008 94.22(6) . . ?
O005 Ni01 N009 177.57(6) . . ?
N009 Ni01 O004 94.74(6) . . ?
N009 Ni01 N008 86.48(7) . . ?
C00B O004 Ni01 127.42(12) . . ?
C00A O005 Ni01 127.43(12) . . ?
C00G O006 C00W 116.98(15) . . ?
C00L O007 C00N 116.86(14) . . ?
C00F N008 Ni01 112.96(12) . . ?
C00J N008 Ni01 127.35(13) . . ?
C00J N008 C00F 119.33(16) . . ?
C00C N009 Ni01 126.77(13) . . ?
C00C N009 C00K 119.07(16) . . ?
C00K N009 Ni01 113.99(12) . . ?
O005 C00A C00G 117.69(16) . . ?
O005 C00A C00H 124.86(17) . . ?
C00H C00A C00G 117.44(17) . . ?
O004 C00B C00D 124.83(17) . . ?
O004 C00B C00L 118.00(16) . . ?
C00D C00B C00L 117.17(17) . . ?
N009 C00C C00D 125.95(17) . . ?
C00B C00D C00C 120.23(17) . . ?
C00B C00D C00S 120.48(17) . . ?
C00S C00D C00C 119.28(17) . . ?
C00L C00E C00P 120.66(18) . . ?
N008 C00F C00K 105.99(15) . . ?
O006 C00G C00A 113.67(16) . . ?
C00I C00G O006 125.31(17) . . ?
C00I C00G C00A 121.01(17) . . ?
C00A C00H C00J 120.12(17) . . ?
C00M C00H C00A 120.21(17) . . ?
C00M C00H C00J 119.48(17) . . ?
C00G C00I C00O 120.63(18) . . ?
N008 C00J C00H 125.31(17) . . ?
N009 C00K C00F 107.02(14) . . ?
O007 C00L C00B 113.77(16) . . ?
O007 C00L C00E 125.20(17) . . ?
C00E C00L C00B 121.03(17) . . ?
C00O C00M C00H 120.95(17) . . ?
O007 C00N C00R 107.92(15) . . ?
C00M C00O C00I 119.69(18) . . ?
C00S C00P C00E 120.00(18) . . ?
C00U C00Q C00R 112.79(16) . . ?
C00N C00R C00Q 111.37(16) . . ?
C00P C00S C00D 120.64(18) . . ?
C012 C00T C00U 113.75(17) . . ?
C00Q C00U C00T 112.80(17) . . ?
Cl00 C00V Cl1 110.48(11) . . ?
O006 C00W C00Y 108.26(16) . . ?
C010 C00X C011 113.91(18) . . ?
C00W C00Y C011 111.16(16) . . ?
C00X C010 C00Z 112.70(18) . . ?
C00Y C011 C00X 113.89(17) . . ?
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
Ni01 O004 1.8446(13) . ?
Ni01 O005 1.8425(13) . ?
Ni01 N008 1.8468(16) . ?
Ni01 N009 1.8442(16) . ?
Cl00 C00V 1.771(2) . ?
Cl1 C00V 1.773(2) . ?
O004 C00B 1.308(2) . ?
O005 C00A 1.309(2) . ?
O006 C00G 1.374(2) . ?
O006 C00W 1.424(2) . ?
O007 C00L 1.373(2) . ?
O007 C00N 1.436(2) . ?
N008 C00F 1.479(2) . ?
N008 C00J 1.288(2) . ?
N009 C00C 1.292(3) . ?
N009 C00K 1.476(2) . ?
C00A C00G 1.431(3) . ?
C00A C00H 1.413(3) . ?
C00B C00D 1.414(2) . ?
C00B C00L 1.434(3) . ?
C00C C00D 1.429(3) . ?
C00D C00S 1.421(3) . ?
C00E C00L 1.376(3) . ?
C00E C00P 1.407(3) . ?
C00F C00K 1.514(3) . ?
C00G C00I 1.373(3) . ?
C00H C00J 1.432(3) . ?
C00H C00M 1.412(3) . ?
C00I C00O 1.406(3) . ?
C00M C00O 1.369(3) . ?
C00N C00R 1.509(3) . ?
C00P C00S 1.362(3) . ?
C00Q C00R 1.527(3) . ?
C00Q C00U 1.522(3) . ?
C00T C00U 1.526(3) . ?
C00T C012 1.519(3) . ?
C00W C00Y 1.511(3) . ?
C00X C010 1.520(3) . ?
C00X C011 1.527(3) . ?
C00Y C011 1.526(3) . ?
C00Z C010 1.526(3) . ?
