#------------------------------------------------------------------------------
#$Date: 2024-02-02 10:58:29 +0200 (Fri, 02 Feb 2024) $
#$Revision: 289268 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/94/4349454.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_4349454
loop_
_publ_author_name
'Yoo, Changho'
'Lee, Yunho'
_publ_section_title
;
 Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of
 a zero-valent nickel monocarbonyl species
;
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              849
_journal_paper_doi               10.1039/C6QI00011H
_journal_volume                  3
_journal_year                    2016
_chemical_formula_moiety         'C70 H112 N2 Na2 Ni2 O8 P4'
_chemical_formula_sum            'C70 H112 N2 Na2 Ni2 O8 P4'
_chemical_formula_weight         1396.90
_chemical_name_common            {(PNP)NiCOONa}2(THF)
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
_audit_update_record
;
2016-01-12 deposited with the CCDC.
2016-03-18 downloaded from the CCDC.
;
_cell_angle_alpha                101.8930(10)
_cell_angle_beta                 96.7630(10)
_cell_angle_gamma                96.9260(10)
_cell_formula_units_Z            1
_cell_length_a                   10.9465(3)
_cell_length_b                   12.3880(3)
_cell_length_c                   14.3038(4)
_cell_measurement_reflns_used    34833
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      0.9140
_cell_measurement_theta_min      0.8970
_cell_volume                     1863.77(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0385
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            34833
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         35.82
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    0.654
_exptl_absorpt_correction_T_max  0.9140
_exptl_absorpt_correction_T_min  0.8970
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platy
_exptl_crystal_F_000             748
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.655
_refine_diff_density_min         -0.463
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         16891
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0522P)²+0.2475P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
_refine_ls_wR_factor_ref         0.1028
_reflns_number_gt                13256
_reflns_number_total             16891
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6qi00011h2.cif
_cod_data_source_block           0063a-2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 

2024-02-02
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C35 H56 N Na Ni O4 P2'
_cod_original_formula_weight         698.45
_cod_original_formula_moiety         'C35 H56 N Na Ni O4 P2'
_cod_original_formula_units_Z            2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4349454
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
Ni1 Ni 0.991850(11) 0.785217(12) 0.705696(9) 0.01474(4) Uani 1 1 d .
P1 P 0.80285(2) 0.80331(2) 0.726066(19) 0.01489(5) Uani 1 1 d .
P2 P 1.18350(2) 0.76154(2) 0.708612(19) 0.01541(5) Uani 1 1 d .
Na1 Na 0.98310(5) 1.11242(4) 0.58231(3) 0.02119(9) Uani 1 1 d .
N1 N 0.99645(8) 0.71840(8) 0.81876(7) 0.01777(16) Uani 1 1 d .
O2 O 1.00352(9) 0.93877(8) 0.59124(6) 0.02496(17) Uani 1 1 d .
O1 O 0.97057(9) 0.75942(8) 0.51370(6) 0.02453(17) Uani 1 1 d .
C2 C 0.88541(9) 0.66754(9) 0.83820(7) 0.01651(17) Uani 1 1 d .
C15 C 1.11005(9) 0.72348(9) 0.87490(7) 0.01655(17) Uani 1 1 d .
C3 C 0.77416(9) 0.69977(9) 0.79733(7) 0.01628(17) Uani 1 1 d .
O3 O 1.10787(10) 1.19883(9) 0.72455(7) 0.0321(2) Uani 1 1 d .
C9 C 0.78807(10) 0.93887(9) 0.80505(8) 0.01916(18) Uani 1 1 d .
H9A H 0.8109 0.9985 0.7699 0.023 Uiso 1 1 calc R
C16 C 1.21829(9) 0.74497(9) 0.83190(7) 0.01726(18) Uani 1 1 d .
C22 C 1.19935(10) 0.62909(10) 0.62698(8) 0.0207(2) Uani 1 1 d .
H22A H 1.1868 0.6406 0.5596 0.025 Uiso 1 1 calc R
C4 C 0.65791(10) 0.64942(9) 0.80953(8) 0.01919(18) Uani 1 1 d .
H4A H 0.5852 0.6732 0.7823 0.023 Uiso 1 1 calc R
O4 O 0.81781(9) 1.20376(8) 0.65160(8) 0.0325(2) Uani 1 1 d .
C5 C 0.64550(11) 0.56508(10) 0.86061(8) 0.02084(19) Uani 1 1 d .
C7 C 0.87201(11) 0.58170(10) 0.88899(8) 0.01989(19) Uani 1 1 d .
H7A H 0.9439 0.5569 0.9163 0.024 Uiso 1 1 calc R
C20 C 1.12855(11) 0.71950(10) 0.97358(8) 0.02055(19) Uani 1 1 d .
H20A H 1.0588 0.7040 1.0049 0.025 Uiso 1 1 calc R
C1 C 0.98760(10) 0.83503(9) 0.58981(8) 0.01810(18) Uani 1 1 d .
C17 C 1.33666(10) 0.76141(10) 0.88542(8) 0.0206(2) Uani 1 1 d .
H17A H 1.4074 0.7745 0.8544 0.025 Uiso 1 1 calc R
C12 C 0.66970(10) 0.77381(10) 0.62809(8) 0.01986(19) Uani 1 1 d .
H12A H 0.5912 0.7721 0.6575 0.024 Uiso 1 1 calc R
C18 C 1.35419(11) 0.75922(10) 0.98336(8) 0.0226(2) Uani 1 1 d .
C6 C 0.75447(11) 0.53285(9) 0.89963(8) 0.0214(2) Uani 1 1 d .
H6A H 0.7484 0.4756 0.9347 0.026 Uiso 1 1 calc R
C25 C 1.31291(10) 0.86512(10) 0.69568(8) 0.02032(19) Uani 1 1 d .
H25A H 1.3927 0.8418 0.7202 0.024 Uiso 1 1 calc R
C19 C 1.24801(11) 0.73807(10) 1.02530(8) 0.0226(2) Uani 1 1 d .
H19A H 1.2573 0.7362 1.0918 0.027 Uiso 1 1 calc R
C23 C 1.09515(12) 0.53785(11) 0.63383(10) 0.0290(2) Uani 1 1 d .
H23A H 1.1035 0.4676 0.5905 0.043 Uiso 1 1 calc R
H23B H 1.0143 0.5596 0.6150 0.043 Uiso 1 1 calc R
H23C H 1.1010 0.5280 0.7004 0.043 Uiso 1 1 calc R
C35 C 1.07134(12) 1.16756(12) 0.80984(9) 0.0273(2) Uani 1 1 d .
H35A H 1.0631 1.0857 0.8025 0.033 Uiso 1 1 calc R
H35B H 0.9907 1.1919 0.8224 0.033 Uiso 1 1 calc R
C8 C 0.51898(12) 0.50677(11) 0.86857(10) 0.0278(2) Uani 1 1 d .
H8A H 0.5290 0.4504 0.9068 0.042 Uiso 1 1 calc R
H8B H 0.4752 0.4705 0.8038 0.042 Uiso 1 1 calc R
H8C H 0.4707 0.5615 0.9002 0.042 Uiso 1 1 calc R
C14 C 0.67410(12) 0.86491(12) 0.56958(10) 0.0290(3) Uani 1 1 d .
H14A H 0.6025 0.8474 0.5181 0.044 Uiso 1 1 calc R
H14B H 0.7512 0.8683 0.5410 0.044 Uiso 1 1 calc R
H14C H 0.6714 0.9372 0.6123 0.044 Uiso 1 1 calc R
C13 C 0.66922(12) 0.65925(11) 0.56203(9) 0.0282(2) Uani 1 1 d .
H13A H 0.5984 0.6440 0.5101 0.042 Uiso 1 1 calc R
H13B H 0.6622 0.6016 0.5997 0.042 Uiso 1 1 calc R
H13C H 0.7468 0.6589 0.5341 0.042 Uiso 1 1 calc R
C11 C 0.88206(12) 0.96102(11) 0.89766(9) 0.0262(2) Uani 1 1 d .
H11A H 0.8742 1.0326 0.9392 0.039 Uiso 1 1 calc R
H11B H 0.9665 0.9635 0.8811 0.039 Uiso 1 1 calc R
H11C H 0.8656 0.9012 0.9319 0.039 Uiso 1 1 calc R
C34 C 1.17387(12) 1.22609(12) 0.89148(9) 0.0289(3) Uani 1 1 d .
H34A H 1.1417 1.2430 0.9539 0.035 Uiso 1 1 calc R
H34B H 1.2420 1.1810 0.8973 0.035 Uiso 1 1 calc R
C28 C 0.69129(14) 1.18481(12) 0.66775(10) 0.0302(3) Uani 1 1 d .
H28A H 0.6856 1.1492 0.7233 0.036 Uiso 1 1 calc R
H28B H 0.6396 1.1349 0.6100 0.036 Uiso 1 1 calc R
C21 C 1.48308(12) 0.78315(13) 1.04101(10) 0.0311(3) Uani 1 1 d .
H21A H 1.4773 0.7778 1.1078 0.047 Uiso 1 1 calc R
H21B H 1.5217 0.8585 1.0402 0.047 Uiso 1 1 calc R
H21C H 1.5337 0.7287 1.0124 0.047 Uiso 1 1 calc R
C24 C 1.32708(12) 0.59285(13) 0.64362(11) 0.0346(3) Uani 1 1 d .
H24A H 1.3287 0.5224 0.5980 0.052 Uiso 1 1 calc R
H24B H 1.3436 0.5826 0.7098 0.052 Uiso 1 1 calc R
H24C H 1.3910 0.6503 0.6337 0.052 Uiso 1 1 calc R
C26 C 1.30342(13) 0.97896(11) 0.75807(10) 0.0300(3) Uani 1 1 d .
H26A H 1.3721 1.0340 0.7512 0.045 Uiso 1 1 calc R
H26B H 1.3081 0.9740 0.8259 0.045 Uiso 1 1 calc R
H26C H 1.2240 1.0020 0.7372 0.045 Uiso 1 1 calc R
C30 C 0.74173(16) 1.37360(12) 0.65280(10) 0.0345(3) Uani 1 1 d .
H30A H 0.7190 1.3719 0.5834 0.041 Uiso 1 1 calc R
H30B H 0.7513 1.4515 0.6904 0.041 Uiso 1 1 calc R
C27 C 1.31594(13) 0.87224(13) 0.59069(10) 0.0316(3) Uani 1 1 d .
H27A H 1.3859 0.9280 0.5873 0.047 Uiso 1 1 calc R
H27B H 1.2379 0.8939 0.5649 0.047 Uiso 1 1 calc R
H27C H 1.3260 0.7993 0.5525 0.047 Uiso 1 1 calc R
C29 C 0.64590(15) 1.29727(13) 0.68827(12) 0.0356(3) Uani 1 1 d .
H29A H 0.6439 1.3239 0.7582 0.043 Uiso 1 1 calc R
H29B H 0.5617 1.2931 0.6525 0.043 Uiso 1 1 calc R
C10 C 0.65703(12) 0.94862(12) 0.82947(11) 0.0312(3) Uani 1 1 d .
H10A H 0.6568 1.0221 0.8711 0.047 Uiso 1 1 calc R
H10B H 0.6312 0.8904 0.8632 0.047 Uiso 1 1 calc R
H10C H 0.5991 0.9397 0.7698 0.047 Uiso 1 1 calc R
C32 C 1.21021(15) 1.28852(13) 0.75146(11) 0.0362(3) Uani 1 1 d .
H32A H 1.1958 1.3481 0.7165 0.043 Uiso 1 1 calc R
H32B H 1.2887 1.2613 0.7365 0.043 Uiso 1 1 calc R
C33 C 1.21627(15) 1.33165(13) 0.85916(11) 0.0369(3) Uani 1 1 d .
H33A H 1.1596 1.3875 0.8735 0.044 Uiso 1 1 calc R
H33B H 1.3020 1.3650 0.8901 0.044 Uiso 1 1 calc R
C31 C 0.85824(15) 1.32245(12) 0.67061(13) 0.0379(3) Uani 1 1 d .
H31A H 0.9176 1.3402 0.6268 0.045 Uiso 1 1 calc R
H31B H 0.8993 1.3508 0.7382 0.045 Uiso 1 1 calc R
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'
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'
Na Na 0.0362 0.0249 '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'
Ni Ni 0.3393 1.1124 '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
C1 Ni1 N1 174.30(5) . .
C1 Ni1 P2 92.85(3) . .
N1 Ni1 P2 85.48(3) . .
C1 Ni1 P1 96.46(3) . .
N1 Ni1 P1 85.37(3) . .
P2 Ni1 P1 170.606(12) . .
C3 P1 C12 105.79(5) . .
C3 P1 C9 105.58(5) . .
C12 P1 C9 105.85(5) . .
C3 P1 Ni1 99.36(3) . .
C12 P1 Ni1 124.82(4) . .
C9 P1 Ni1 113.44(3) . .
C16 P2 C25 104.39(5) . .
C16 P2 C22 107.55(5) . .
C25 P2 C22 106.10(5) . .
C16 P2 Ni1 99.85(3) . .
C25 P2 Ni1 125.94(4) . .
C22 P2 Ni1 111.40(4) . .
O2 Na1 O3 96.93(4) . .
O2 Na1 O1 140.27(4) . 2_776
O3 Na1 O1 100.61(4) . 2_776
O2 Na1 O4 121.07(4) . .
O3 Na1 O4 86.06(4) . .
O1 Na1 O4 95.59(4) 2_776 .
O2 Na1 O2 88.80(3) . 2_776
O3 Na1 O2 139.25(4) . 2_776
O1 Na1 O2 55.30(3) 2_776 2_776
O4 Na1 O2 124.85(4) . 2_776
O2 Na1 C1 115.84(4) . 2_776
O3 Na1 C1 123.48(4) . 2_776
O1 Na1 C1 27.59(3) 2_776 2_776
O4 Na1 C1 110.29(4) . 2_776
O2 Na1 C1 27.87(3) 2_776 2_776
O2 Na1 Na1 47.29(3) . 2_776
O3 Na1 Na1 129.55(4) . 2_776
O1 Na1 Na1 95.24(3) 2_776 2_776
O4 Na1 Na1 139.65(4) . 2_776
O2 Na1 Na1 41.51(2) 2_776 2_776
C1 Na1 Na1 68.85(3) 2_776 2_776
C2 N1 C15 123.14(9) . .
C2 N1 Ni1 118.11(7) . .
C15 N1 Ni1 118.75(7) . .
C1 O2 Na1 166.41(8) . .
C1 O2 Na1 87.45(7) . 2_776
Na1 O2 Na1 91.20(3) . 2_776
C1 O1 Na1 92.56(7) . 2_776
N1 C2 C7 125.99(9) . .
N1 C2 C3 116.79(9) . .
C7 C2 C3 117.07(10) . .
N1 C15 C20 126.01(10) . .
N1 C15 C16 116.88(9) . .
C20 C15 C16 116.84(9) . .
C4 C3 C2 120.76(10) . .
C4 C3 P1 126.13(8) . .
C2 C3 P1 113.03(8) . .
C32 O3 C35 109.64(10) . .
C32 O3 Na1 134.25(9) . .
C35 O3 Na1 115.71(7) . .
C10 C9 C11 110.45(11) . .
C10 C9 P1 114.36(8) . .
C11 C9 P1 109.58(8) . .
C17 C16 C15 120.97(10) . .
C17 C16 P2 125.68(9) . .
C15 C16 P2 113.08(7) . .
C24 C22 C23 111.43(11) . .
C24 C22 P2 114.01(8) . .
C23 C22 P2 109.45(8) . .
C3 C4 C5 121.80(10) . .
C28 O4 C31 108.70(11) . .
C28 O4 Na1 143.44(8) . .
C31 O4 Na1 107.05(9) . .
C6 C5 C4 117.32(10) . .
C6 C5 C8 121.34(11) . .
C4 C5 C8 121.26(11) . .
C6 C7 C2 120.75(10) . .
C19 C20 C15 120.70(11) . .
O1 C1 O2 123.97(10) . .
O1 C1 Ni1 115.48(8) . .
O2 C1 Ni1 120.54(8) . .
O1 C1 Na1 59.85(6) . 2_776
O2 C1 Na1 64.68(6) . 2_776
Ni1 C1 Na1 169.77(6) . 2_776
C16 C17 C18 121.88(11) . .
C13 C12 C14 110.42(11) . .
C13 C12 P1 109.77(8) . .
C14 C12 P1 111.05(8) . .
C19 C18 C17 117.04(10) . .
C19 C18 C21 122.06(11) . .
C17 C18 C21 120.87(12) . .
C7 C6 C5 122.29(10) . .
C27 C25 C26 110.73(11) . .
C27 C25 P2 112.30(8) . .
C26 C25 P2 109.45(8) . .
C18 C19 C20 122.55(10) . .
O3 C35 C34 105.62(10) . .
C33 C34 C35 101.65(11) . .
O4 C28 C29 107.60(12) . .
C31 C30 C29 101.83(12) . .
C28 C29 C30 103.71(12) . .
O3 C32 C33 105.45(12) . .
C32 C33 C34 101.78(12) . .
O4 C31 C30 105.62(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 C1 1.8818(11) .
Ni1 N1 1.9611(9) .
Ni1 P2 2.1499(3) .
Ni1 P1 2.1546(3) .
P1 C3 1.8166(11) .
P1 C12 1.8443(10) .
P1 C9 1.8572(12) .
P2 C16 1.8185(11) .
P2 C25 1.8462(11) .
P2 C22 1.8473(12) .
Na1 O2 2.2173(10) .
Na1 O3 2.2905(10) .
Na1 O1 2.3521(10) 2_776
Na1 O4 2.4475(11) .
Na1 O2 2.4587(10) 2_776
Na1 C1 2.7173(12) 2_776
Na1 Na1 3.3451(10) 2_776
N1 C2 1.3852(14) .
N1 C15 1.3857(13) .
O2 C1 1.2714(14) .
O2 Na1 2.4586(10) 2_776
O1 C1 1.2597(14) .
O1 Na1 2.3520(10) 2_776
C2 C7 1.4092(15) .
C2 C3 1.4248(14) .
C15 C20 1.4142(15) .
C15 C16 1.4199(15) .
C3 C4 1.3944(15) .
O3 C32 1.4351(17) .
O3 C35 1.4390(16) .
C9 C10 1.5286(16) .
C9 C11 1.5329(16) .
C16 C17 1.3945(14) .
C22 C24 1.5265(17) .
C22 C23 1.5326(17) .
C4 C5 1.3956(16) .
O4 C28 1.4304(18) .
O4 C31 1.4428(18) .
C5 C6 1.3942(17) .
C5 C8 1.5108(16) .
C7 C6 1.3933(16) .
C20 C19 1.3927(15) .
C1 Na1 2.7173(12) 2_776
C17 C18 1.3977(16) .
C12 C13 1.5334(17) .
C12 C14 1.5370(17) .
C18 C19 1.3912(18) .
C18 C21 1.5109(15) .
C25 C27 1.5264(17) .
C25 C26 1.5278(18) .
C35 C34 1.5149(17) .
C34 C33 1.514(2) .
C28 C29 1.519(2) .
C30 C31 1.509(2) .
C30 C29 1.528(2) .
C32 C33 1.514(2) .
