#------------------------------------------------------------------------------
#$Date: 2021-04-05 16:49:32 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263610 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/00/1560076.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_1560076
loop_
_publ_author_name
'Diment, Wilfred T.'
'Stößer, Tim'
'Kerr, Ryan W. F.'
'Phanopoulos, Andreas'
'Durr, Christopher B.'
'Williams, Charlotte K.'
_publ_section_title
;
 Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for
 switchable catalysis using ε-decalactone, phthalic anhydride and
 cyclohexene oxide
;
_journal_issue                   5
_journal_name_full               'Catalysis Science & Technology'
_journal_page_first              1737
_journal_page_last               1745
_journal_paper_doi               10.1039/D0CY02164D
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'C23 H27 Co N2 O6'
_chemical_formula_sum            'C23 H27 Co N2 O6'
_chemical_formula_weight         486.39
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2020-10-23
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-11-02 deposited with the CCDC.	2020-12-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.7450(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.99960(10)
_cell_length_b                   12.8364(2)
_cell_length_c                   19.0472(3)
_cell_measurement_reflns_used    5906
_cell_measurement_temperature    150.00(16)
_cell_measurement_theta_max      76.0760
_cell_measurement_theta_min      4.1230
_cell_volume                     2185.15(5)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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      150.00(16)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4102
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -88.00  41.00   1.00    1.00    --  -42.66   0.00 -60.00  129
  2  ω    -15.00  23.00   1.00    1.00    --  -42.66  38.00 150.00   38
  3  ω     82.00 129.00   1.00    1.00    --   42.66 178.00-150.00   47
  4  ω     43.00  69.00   1.00    5.00    --  111.00 -30.00 -60.00   26
  5  ω    143.00 169.00   1.00    5.00    --  111.00 125.00-120.00   26
  6  ω     31.00  70.00   1.00    5.00    --  111.00 -95.00  90.00   39
  7  ω     94.00 136.00   1.00    5.00    --  111.00 125.00-120.00   42
  8  ω    143.00 173.00   1.00    5.00    --  111.00 125.00-180.00   30
  9  ω     62.00  90.00   1.00    5.00    --  111.00 -45.00 120.00   28
 10  ω     87.00 152.00   1.00    5.00    --  111.00  45.00-180.00   65
 11  ω     45.00  95.00   1.00    5.00    --  111.00 -45.00  60.00   50
 12  ω     44.00  91.00   1.00    5.00    --  111.00 -45.00 -60.00   47
 13  ω     94.00 130.00   1.00    5.00    --  111.00 125.00-180.00   36
 14  ω     75.00 100.00   1.00    5.00    --  111.00 -95.00  90.00   25
 15  ω     76.00 105.00   1.00    5.00    --  111.00 -95.00 -90.00   29
 16  ω     61.00  86.00   1.00    5.00    --  111.00 -61.00 120.00   25
 17  ω     89.00 129.00   1.00    5.00    --  111.00 -61.00 120.00   40
 18  ω     65.00 116.00   1.00    5.00    --  111.00-125.00 -60.00   51
 19  ω     81.00 112.00   1.00    5.00    --  111.00  77.00  30.00   31
 20  ω    140.00 178.00   1.00    5.00    --  111.00  77.00  30.00   38
 21  ω     40.00  89.00   1.00    5.00    --  111.00 -30.00 150.00   49
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0206755000
_diffrn_orient_matrix_UB_12      -0.0076989000
_diffrn_orient_matrix_UB_13      -0.0790104000
_diffrn_orient_matrix_UB_21      -0.0856226000
_diffrn_orient_matrix_UB_22      -0.1041334000
_diffrn_orient_matrix_UB_23      -0.0051134000
_diffrn_orient_matrix_UB_31      -0.1481238000
_diffrn_orient_matrix_UB_32      0.0591115000
_diffrn_orient_matrix_UB_33      -0.0192828000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            12050
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.271
_diffrn_reflns_theta_min         4.162
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    6.527
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50275
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_description       block
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.386
_exptl_crystal_size_mid          0.223
_exptl_crystal_size_min          0.191
_refine_diff_density_max         0.336
_refine_diff_density_min         -0.570
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         4529
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0337
_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)+(0.0443P)²+0.5446P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0807
_refine_ls_wR_factor_ref         0.0830
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4158
_reflns_number_total             4529
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cy02164d2.cif
_cod_data_source_block           027ap19
_cod_depositor_comments
'Adding full bibliography for 1560075--1560077.cif.'
_cod_database_code               1560076
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C25 H35 N2 O6 Co1'
_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   0.369
_shelx_estimated_absorpt_t_min   0.187
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_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:
 C00E(H00A,H00C), C00H(H00D,H00E)
2.b Aromatic/amide H refined with riding coordinates:
 C00B(H00B), C00I(H00I), C00J(H00J), C00K(H00K), C00L(H00L), C00N(H00N),
 C00O(H00O), C00R(H00R)
2.c Idealised Me refined as rotating group:
 C00S(H00F,H00G,H00H), C00T(H00M,H00P,H00Q), C00U(H00S,H00T,H00U), C00V(H00V,
 H00W,H00X), C00W(H00Y,H,HA)
;
_olex2_submission_original_sample_id 027AP19
_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 1.484
_oxdiff_exptl_absorpt_empirical_full_min 0.767
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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
Co01 Co 0.56547(2) 0.49336(2) 0.66030(2) 0.00946(8) Uani 1 1 d . . . . .
O002 O 0.43354(12) 0.42673(9) 0.72377(6) 0.0144(2) Uani 1 1 d . . . . .
O003 O 0.60241(12) 0.35619(9) 0.63067(6) 0.0145(2) Uani 1 1 d . . . . .
O004 O 0.35778(13) 0.48111(10) 0.61800(6) 0.0152(2) Uani 1 1 d . . . . .
O005 O 0.75188(13) 0.48798(9) 0.71636(6) 0.0150(2) Uani 1 1 d . . . . .
O006 O 0.69937(14) 0.16476(10) 0.64538(7) 0.0196(2) Uani 1 1 d . . . . .
O007 O 0.95845(13) 0.38336(11) 0.80984(7) 0.0210(3) Uani 1 1 d . . . . .
N008 N 0.52597(14) 0.62614(11) 0.70014(7) 0.0129(3) Uani 1 1 d . . . . .
N009 N 0.64155(14) 0.55413(10) 0.58012(6) 0.0114(2) Uani 1 1 d . . . . .
C00A C 0.71921(16) 0.33304(13) 0.59959(8) 0.0126(3) Uani 1 1 d . . . . .
C00B C 0.56719(18) 0.64773(13) 0.76545(8) 0.0150(3) Uani 1 1 d . . . . .
H00B H 0.533479 0.709666 0.783356 0.018 Uiso 1 1 calc R . . . .
C00C C 0.79151(17) 0.40278(13) 0.55721(8) 0.0131(3) Uani 1 1 d . . . . .
C00D C 0.32745(17) 0.43514(13) 0.67383(8) 0.0158(3) Uani 1 1 d . . . . .
C00E C 0.45674(17) 0.70863(13) 0.65464(8) 0.0152(3) Uani 1 1 d . . . . .
H00A H 0.438004 0.768769 0.683153 0.018 Uiso 1 1 calc R . . . .
H00C H 0.361530 0.684492 0.631102 0.018 Uiso 1 1 calc R . . . .
C00F C 0.75388(18) 0.50600(13) 0.78429(9) 0.0142(3) Uani 1 1 d . . . . .
C00G C 0.66253(18) 0.58171(13) 0.81261(8) 0.0156(3) Uani 1 1 d . . . . .
C00H C 0.57154(18) 0.64937(13) 0.54812(8) 0.0146(3) Uani 1 1 d . . . . .
H00D H 0.471911 0.632005 0.526127 0.018 Uiso 1 1 calc R . . . .
H00E H 0.629001 0.672484 0.511008 0.018 Uiso 1 1 calc R . . . .
C00I C 0.77356(19) 0.54644(15) 0.93205(9) 0.0211(3) Uani 1 1 d . . . . .
H00I H 0.779728 0.558628 0.980433 0.025 Uiso 1 1 calc R . . . .
C00J C 0.73530(18) 0.50697(12) 0.54525(8) 0.0130(3) Uani 1 1 d . . . . .
H00J H 0.770368 0.543941 0.508565 0.016 Uiso 1 1 calc R . . . .
C00K C 0.90701(18) 0.36835(14) 0.51848(9) 0.0181(3) Uani 1 1 d . . . . .
H00K H 0.948101 0.414101 0.488177 0.022 Uiso 1 1 calc R . . . .
C00L C 0.89331(19) 0.19817(13) 0.56953(9) 0.0191(3) Uani 1 1 d . . . . .
H00L H 0.930487 0.130728 0.575308 0.023 Uiso 1 1 calc R . . . .
C00M C 0.55910(17) 0.73992(13) 0.59921(8) 0.0137(3) Uani 1 1 d . . . . .
C00N C 0.95870(19) 0.26818(14) 0.52529(10) 0.0211(3) Uani 1 1 d . . . . .
H00N H 1.036683 0.246466 0.500797 0.025 Uiso 1 1 calc R . . . .
C00O C 0.67525(19) 0.60189(14) 0.88574(9) 0.0186(3) Uani 1 1 d . . . . .
H00O H 0.616353 0.653385 0.902865 0.022 Uiso 1 1 calc R . . . .
C00P C 0.77460(18) 0.22865(13) 0.60441(8) 0.0152(3) Uani 1 1 d . . . . .
C00Q C 0.85740(17) 0.45185(14) 0.83348(9) 0.0168(3) Uani 1 1 d . . . . .
C00R C 0.86464(19) 0.47102(15) 0.90514(9) 0.0201(3) Uani 1 1 d . . . . .
H00R H 0.931344 0.433122 0.936270 0.024 Uiso 1 1 calc R . . . .
C00S C 0.4824(2) 0.83082(14) 0.55737(9) 0.0209(3) Uani 1 1 d . . . . .
H00F H 0.384036 0.809963 0.537272 0.031 Uiso 1 1 calc GR . . . .
H00G H 0.540180 0.850458 0.520221 0.031 Uiso 1 1 calc GR . . . .
H00H H 0.474730 0.889032 0.588388 0.031 Uiso 1 1 calc GR . . . .
C00T C 0.71388(18) 0.77215(14) 0.63416(9) 0.0179(3) Uani 1 1 d . . . . .
H00M H 0.703578 0.826436 0.667919 0.027 Uiso 1 1 calc GR . . . .
H00P H 0.772658 0.797099 0.598728 0.027 Uiso 1 1 calc GR . . . .
H00Q H 0.762612 0.713170 0.657774 0.027 Uiso 1 1 calc GR . . . .
C00U C 0.8939(2) 0.28775(16) 0.78241(11) 0.0260(4) Uani 1 1 d . . . . .
H00S H 0.804098 0.302282 0.751580 0.039 Uiso 1 1 calc GR . . . .
H00T H 0.870516 0.244575 0.820767 0.039 Uiso 1 1 calc GR . . . .
H00U H 0.963860 0.252213 0.756454 0.039 Uiso 1 1 calc GR . . . .
C00V C 0.1750(2) 0.39282(19) 0.67957(10) 0.0294(4) Uani 1 1 d . . . . .
H00V H 0.103826 0.426205 0.645290 0.044 Uiso 1 1 calc GR . . . .
H00W H 0.148602 0.405898 0.726167 0.044 Uiso 1 1 calc GR . . . .
H00X H 0.174318 0.319129 0.670945 0.044 Uiso 1 1 calc GR . . . .
C00W C 0.7440(3) 0.05869(15) 0.64961(13) 0.0339(5) Uani 1 1 d . . . . .
H00Y H 0.737992 0.029800 0.602872 0.051 Uiso 1 1 calc GR . . . .
H H 0.679050 0.020591 0.676871 0.051 Uiso 1 1 calc GR . . . .
HA H 0.845082 0.053927 0.671940 0.051 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 0.0181 0.0091 '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 -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
O002 Co01 C00D 33.31(5) . . ?
O003 Co01 O002 85.37(5) . . ?
O003 Co01 O004 89.72(5) . . ?
O003 Co01 N008 173.83(5) . . ?
O003 Co01 N009 92.84(5) . . ?
O003 Co01 C00D 85.98(5) . . ?
O004 Co01 O002 66.71(5) . . ?
O004 Co01 C00D 33.43(5) . . ?
O005 Co01 O002 101.29(5) . . ?
O005 Co01 O003 87.65(5) . . ?
O005 Co01 O004 167.90(5) . . ?
O005 Co01 N008 90.14(5) . . ?
O005 Co01 N009 95.12(5) . . ?
O005 Co01 C00D 134.52(6) . . ?
N008 Co01 O002 89.43(5) . . ?
N008 Co01 O004 91.26(5) . . ?
N008 Co01 C00D 91.49(6) . . ?
N009 Co01 O002 163.39(5) . . ?
N009 Co01 O004 96.80(5) . . ?
N009 Co01 N008 93.09(6) . . ?
N009 Co01 C00D 130.13(6) . . ?
C00D O002 Co01 87.60(9) . . ?
C00A O003 Co01 121.92(10) . . ?
C00D O004 Co01 88.93(9) . . ?
C00F O005 Co01 117.46(10) . . ?
C00P O006 C00W 116.92(13) . . ?
C00Q O007 C00U 114.31(13) . . ?
C00B N008 Co01 121.94(12) . . ?
C00B N008 C00E 118.18(14) . . ?
C00E N008 Co01 119.73(10) . . ?
C00H N009 Co01 119.54(10) . . ?
C00J N009 Co01 122.63(11) . . ?
C00J N009 C00H 116.85(13) . . ?
O003 C00A C00C 124.48(15) . . ?
O003 C00A C00P 118.67(14) . . ?
C00C C00A C00P 116.74(14) . . ?
N008 C00B C00G 123.98(15) . . ?
C00A C00C C00J 120.14(14) . . ?
C00A C00C C00K 121.04(15) . . ?
C00K C00C C00J 118.31(15) . . ?
O002 C00D Co01 59.08(8) . . ?
O002 C00D O004 116.65(14) . . ?
O002 C00D C00V 122.08(15) . . ?
O004 C00D Co01 57.64(8) . . ?
O004 C00D C00V 121.27(15) . . ?
C00V C00D Co01 176.74(14) . . ?
N008 C00E C00M 110.45(12) . . ?
O005 C00F C00G 123.63(15) . . ?
O005 C00F C00Q 119.68(15) . . ?
C00G C00F C00Q 116.61(15) . . ?
C00F C00G C00B 119.62(14) . . ?
C00O C00G C00B 118.77(15) . . ?
C00O C00G C00F 121.22(16) . . ?
N009 C00H C00M 115.29(12) . . ?
C00O C00I C00R 118.88(15) . . ?
N009 C00J C00C 126.60(15) . . ?
C00N C00K C00C 120.44(15) . . ?
C00P C00L C00N 120.62(16) . . ?
C00H C00M C00E 109.50(13) . . ?
C00H C00M C00S 108.09(13) . . ?
C00H C00M C00T 110.60(13) . . ?
C00S C00M C00E 106.69(13) . . ?
C00T C00M C00E 111.18(13) . . ?
C00T C00M C00S 110.65(14) . . ?
C00K C00N C00L 119.70(15) . . ?
C00I C00O C00G 120.77(17) . . ?
O006 C00P C00A 114.04(14) . . ?
O006 C00P C00L 124.69(15) . . ?
C00L C00P C00A 121.28(15) . . ?
O007 C00Q C00F 120.18(15) . . ?
O007 C00Q C00R 118.71(15) . . ?
C00R C00Q C00F 121.01(16) . . ?
C00Q C00R C00I 121.46(16) . . ?
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
Co01 O002 1.9849(11) . ?
Co01 O003 1.8904(12) . ?
Co01 O004 1.9529(11) . ?
Co01 O005 1.8812(12) . ?
Co01 N008 1.9159(14) . ?
Co01 N009 1.9119(13) . ?
Co01 C00D 2.3115(16) . ?
O002 C00D 1.271(2) . ?
O003 C00A 1.2999(19) . ?
O004 C00D 1.274(2) . ?
O005 C00F 1.312(2) . ?
O006 C00P 1.365(2) . ?
O006 C00W 1.419(2) . ?
O007 C00Q 1.378(2) . ?
O007 C00U 1.430(2) . ?
N008 C00B 1.286(2) . ?
N008 C00E 1.461(2) . ?
N009 C00H 1.474(2) . ?
N009 C00J 1.285(2) . ?
C00A C00C 1.414(2) . ?
C00A C00P 1.429(2) . ?
C00B C00G 1.442(2) . ?
C00C C00J 1.439(2) . ?
C00C C00K 1.414(2) . ?
C00D C00V 1.492(2) . ?
C00E C00M 1.534(2) . ?
C00F C00G 1.420(2) . ?
C00F C00Q 1.423(2) . ?
C00G C00O 1.408(2) . ?
C00H C00M 1.529(2) . ?
C00I C00O 1.373(3) . ?
C00I C00R 1.404(3) . ?
C00K C00N 1.368(3) . ?
C00L C00N 1.407(3) . ?
C00L C00P 1.379(2) . ?
C00M C00S 1.531(2) . ?
C00M C00T 1.529(2) . ?
C00Q C00R 1.381(2) . ?
