#------------------------------------------------------------------------------
#$Date: 2016-03-05 12:32:33 +0200 (Sat, 05 Mar 2016) $
#$Revision: 177889 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/51/7055178.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_7055178
loop_
_publ_author_name
'Devi, Manisha'
'Dhir, Abhimanew'
'Pradeep, Chullikkattil P.'
_publ_section_title
;
 A sandwich-type zinc complex from a rhodamine dye based ligand: a
 potential fluorescent chemosensor for acetate in human blood plasma and a
 molecular logic gate with INHIBIT function
;
_journal_issue                   2
_journal_name_full               'New J. Chem.'
_journal_page_first              1269
_journal_paper_doi               10.1039/C5NJ02175H
_journal_volume                  40
_journal_year                    2016
_chemical_formula_sum            'C64 H88 Cl4 N6 O30 Zn'
_chemical_formula_weight         1628.57
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-07-25 deposited with the CCDC.
2015-11-20 downloaded from the CCDC.
;
_cell_angle_alpha                104.215(6)
_cell_angle_beta                 100.333(7)
_cell_angle_gamma                105.122(7)
_cell_formula_units_Z            1
_cell_length_a                   12.3279(12)
_cell_length_b                   12.8597(9)
_cell_length_c                   13.1221(9)
_cell_measurement_reflns_used    4370
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.6080
_cell_measurement_theta_min      1.9790
_cell_volume                     1879.7(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33d (release 23-04-2014 CrysAlis171 .NET)
(compiled Apr 23 2014,17:37:27)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33d (release 23-04-2014 CrysAlis171 .NET)
(compiled Apr 23 2014,17:37:27)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33d (release 23-04-2014 CrysAlis171 .NET)
(compiled Apr 23 2014,17:37:27)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 7.9987
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.838
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_unetI/netI     0.0600
_diffrn_reflns_laue_measured_fraction_full 0.964
_diffrn_reflns_laue_measured_fraction_max 0.838
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10473
_diffrn_reflns_point_group_measured_fraction_full 0.964
_diffrn_reflns_point_group_measured_fraction_max 0.838
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.337
_diffrn_reflns_theta_min         1.724
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.556
_exptl_absorpt_correction_T_max  0.938
_exptl_absorpt_correction_T_min  0.882
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33d (release 23-04-2014 CrysAlis171 .NET)
(compiled Apr 23 2014,17:37:27)
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_colour            violet
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_description       needle
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.2907
_exptl_crystal_size_mid          0.2600
_exptl_crystal_size_min          0.1383
_refine_diff_density_max         0.803
_refine_diff_density_min         -0.518
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     489
_refine_ls_number_reflns         7861
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.1081
_refine_ls_R_factor_gt           0.0827
_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)+(0.1502P)²+1.4160P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2386
_refine_ls_wR_factor_ref         0.2735
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5461
_reflns_number_total             7861
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5nj02175h2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7055178.cif.'
_cod_database_code               7055178
_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.
;
_shelxl_version_number           2013-4
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
Zn1 Zn 0.5000 0.5000 0.5000 0.0539(3) Uani 1 2 d S . P
Cl3 Cl 0.63349(14) 0.36341(12) 1.02623(11) 0.0783(4) Uani 1 1 d . . .
Cl7 Cl 0.9451(2) 0.20561(17) 0.27892(15) 0.1092(6) Uani 1 1 d . . .
O2 O 0.4656(3) 0.3883(2) 0.5874(2) 0.0571(8) Uani 1 1 d . . .
O1 O 0.5782(2) 0.1201(2) 0.4213(2) 0.0455(6) Uani 1 1 d . . .
O3 O 0.4781(3) 0.6210(3) 0.6297(3) 0.0654(9) Uani 1 1 d D . .
H3 H 0.416(2) 0.636(5) 0.636(3) 0.098 Uiso 1 1 d D U .
N3 N 0.5322(3) 0.4876(3) 0.7670(3) 0.0490(8) Uani 1 1 d . . .
H3A H 0.5217 0.4868 0.8299 0.059 Uiso 1 1 calc R U .
O4 O 0.6688(3) 0.5569(4) 0.5878(3) 0.0774(10) Uani 1 1 d D . .
H4 H 0.727(2) 0.563(7) 0.561(3) 0.116 Uiso 1 1 d D U .
C13 C 0.4600(3) 0.0945(3) 0.3862(3) 0.0400(8) Uani 1 1 d . . .
N1 N 0.2422(3) -0.0215(3) 0.1250(3) 0.0552(9) Uani 1 1 d . . .
C6 C 0.5704(3) 0.1911(3) 0.6073(3) 0.0391(8) Uani 1 1 d . . .
C1 C 0.6344(3) 0.1711(3) 0.5293(3) 0.0411(8) Uani 1 1 d . . .
C20 C 0.4663(3) 0.3977(3) 0.6833(3) 0.0426(8) Uani 1 1 d . . .
C19 C 0.3919(3) 0.3010(3) 0.7102(3) 0.0403(8) Uani 1 1 d . . .
C14 C 0.3821(3) 0.1901(3) 0.6536(3) 0.0385(7) Uani 1 1 d . . .
C12 C 0.4131(3) 0.0468(3) 0.2770(3) 0.0445(8) Uani 1 1 d . . .
H12 H 0.4599 0.0291 0.2316 0.053 Uiso 1 1 calc R U .
C7 C 0.4495(3) 0.1664(3) 0.5723(3) 0.0384(7) Uani 1 1 d . . .
C11 C 0.2926(4) 0.0242(3) 0.2326(3) 0.0461(9) Uani 1 1 d . . .
C8 C 0.3939(3) 0.1187(3) 0.4612(3) 0.0392(8) Uani 1 1 d . . .
N2 N 0.9343(3) 0.2969(4) 0.6935(3) 0.0701(12) Uani 1 1 d . . .
C5 C 0.6362(3) 0.2405(3) 0.7170(3) 0.0458(8) Uani 1 1 d . . .
H5 H 0.5975 0.2502 0.7715 0.055 Uiso 1 1 calc R U .
C3 C 0.8179(4) 0.2591(4) 0.6648(4) 0.0552(10) Uani 1 1 d . . .
C18 C 0.3314(3) 0.3196(4) 0.7893(3) 0.0485(9) Uani 1 1 d . . .
H18 H 0.3371 0.3932 0.8266 0.058 Uiso 1 1 calc R U .
C10 C 0.2251(4) 0.0524(4) 0.3068(3) 0.0518(10) Uani 1 1 d . . .
H10 H 0.1461 0.0397 0.2800 0.062 Uiso 1 1 calc R U .
C15 C 0.3125(3) 0.1015(3) 0.6782(3) 0.0475(9) Uani 1 1 d . . .
H15 H 0.3055 0.0275 0.6409 0.057 Uiso 1 1 calc R U .
C4 C 0.7542(4) 0.2740(4) 0.7453(3) 0.0527(10) Uani 1 1 d . . .
H4A H 0.7944 0.3073 0.8183 0.063 Uiso 1 1 calc R U .
C17 C 0.2632(4) 0.2297(4) 0.8125(3) 0.0529(10) Uani 1 1 d . . .
H17 H 0.2238 0.2428 0.8661 0.064 Uiso 1 1 calc R U .
C9 C 0.2741(3) 0.0971(4) 0.4152(3) 0.0495(9) Uani 1 1 d . . .
H9 H 0.2276 0.1143 0.4610 0.059 Uiso 1 1 calc R U .
C2 C 0.7530(3) 0.2040(4) 0.5556(3) 0.0515(10) Uani 1 1 d . . .
H2 H 0.7912 0.1899 0.5013 0.062 Uiso 1 1 calc R U .
C16 C 0.2532(4) 0.1205(4) 0.7568(4) 0.0535(10) Uani 1 1 d . . .
H16 H 0.2066 0.0598 0.7721 0.064 Uiso 1 1 calc R U .
O5 O 0.7678(4) 0.6010(5) 0.9247(4) 0.1125(16) Uani 1 1 d . . .
H5A H 0.7321 0.5473 0.9418 0.169 Uiso 1 1 calc R U .
C27 C 0.3056(5) -0.0595(5) 0.0472(4) 0.0704(14) Uani 1 1 d . . .
H27A H 0.2526 -0.1239 -0.0125 0.085 Uiso 1 1 calc R U .
H27B H 0.3659 -0.0842 0.0827 0.085 Uiso 1 1 calc R U .
C21 C 0.6210(4) 0.5885(4) 0.7645(4) 0.0581(11) Uani 1 1 d . . .
C31 C 1.0021(4) 0.3719(5) 0.8038(5) 0.0750(15) Uani 1 1 d . . .
H31A H 1.0814 0.3697 0.8156 0.090 Uiso 1 1 calc R U .
H31B H 0.9687 0.3441 0.8573 0.090 Uiso 1 1 calc R U .
C26 C 0.0351(6) -0.1405(6) 0.0763(5) 0.098(2) Uani 1 1 d . . .
H26A H 0.0481 -0.2036 0.0292 0.148 Uiso 1 1 calc R U .
H26B H -0.0428 -0.1407 0.0500 0.148 Uiso 1 1 calc R U .
H26C H 0.0459 -0.1464 0.1487 0.148 Uiso 1 1 calc R U .
C25 C 0.1199(4) -0.0322(5) 0.0777(4) 0.0656(13) Uani 1 1 d . . .
H25A H 0.1114 -0.0287 0.0038 0.079 Uiso 1 1 calc R U .
H25B H 0.1015 0.0312 0.1195 0.079 Uiso 1 1 calc R U .
C23 C 0.5654(5) 0.6708(4) 0.7292(4) 0.0675(13) Uani 1 1 d D . .
H23A H 0.5315 0.7026 0.7856 0.081 Uiso 1 1 calc R U .
H23B H 0.6255 0.7325 0.7222 0.081 Uiso 1 1 calc R U .
C24 C 0.6924(6) 0.6506(5) 0.8846(5) 0.0800(16) Uani 1 1 d . . .
H24A H 0.7360 0.7273 0.8903 0.096 Uiso 1 1 calc R U .
H24B H 0.6386 0.6553 0.9299 0.096 Uiso 1 1 calc R U .
C22 C 0.7031(4) 0.5564(5) 0.6980(4) 0.0677(13) Uani 1 1 d D . .
H22A H 0.7810 0.6092 0.7323 0.081 Uiso 1 1 calc R U .
H22B H 0.7052 0.4815 0.6978 0.081 Uiso 1 1 calc R U .
C28 C 0.3607(6) 0.0333(7) 0.0025(5) 0.098(2) Uani 1 1 d . . .
H28A H 0.4049 0.0065 -0.0452 0.147 Uiso 1 1 calc R U .
H28B H 0.4112 0.0981 0.0616 0.147 Uiso 1 1 calc R U .
H28C H 0.3008 0.0541 -0.0372 0.147 Uiso 1 1 calc R U .
C30 C 1.0027(7) 0.1529(9) 0.5798(7) 0.124(3) Uani 1 1 d . . .
H30A H 1.0375 0.1400 0.5200 0.186 Uiso 1 1 calc R U .
H30B H 0.9247 0.1013 0.5589 0.186 Uiso 1 1 calc R U .
H30C H 1.0475 0.1408 0.6410 0.186 Uiso 1 1 calc R U .
C29 C 1.0000(5) 0.2732(7) 0.6107(5) 0.096(2) Uani 1 1 d . . .
H29A H 1.0792 0.3246 0.6389 0.115 Uiso 1 1 calc R U .
H29B H 0.9648 0.2882 0.5458 0.115 Uiso 1 1 calc R U .
C32 C 1.0038(7) 0.4915(7) 0.8199(8) 0.130(3) Uani 1 1 d . . .
H32A H 1.0328 0.5180 0.7646 0.195 Uiso 1 1 calc R U .
H32B H 1.0533 0.5383 0.8903 0.195 Uiso 1 1 calc R U .
H32C H 0.9263 0.4950 0.8151 0.195 Uiso 1 1 calc R U .
O8 O 0.8418(8) 0.1735(7) 0.3087(9) 0.212(4) Uani 1 1 d . . .
O6 O 0.8310(8) 0.5296(12) 0.4986(9) 0.302(8) Uani 1 1 d . . .
O7 O 0.5847(7) 0.4405(5) 0.9925(5) 0.155(3) Uani 1 1 d . . .
O9 O 0.6739(9) 0.4073(8) 1.1396(4) 0.192(4) Uani 1 1 d . . .
O10 O 0.7289(5) 0.3572(8) 0.9873(5) 0.188(4) Uani 1 1 d . . .
O11 O 0.5515(7) 0.2580(6) 0.9845(10) 0.225(5) Uani 1 1 d . . .
O12 O 0.9666(9) 0.1053(10) 0.2550(18) 0.363(12) Uani 1 1 d . . .
O15 O 0.7153(6) 0.3412(7) 0.3212(5) 0.141(2) Uani 1 1 d G . .
H15A H 0.7297 0.4092 0.3205 0.212 Uiso 1 1 d G U .
H15B H 0.7672 0.3152 0.3008 0.212 Uiso 1 1 d G U .
O13 O 0.9517(17) 0.2347(10) 0.1909(7) 0.321(9) Uani 1 1 d . . .
O14 O 1.0150(17) 0.2861(13) 0.3507(8) 0.437(16) Uani 1 1 d . . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
O4 Zn1 O4 180.0 . 2_666
O4 Zn1 O2 91.52(14) . 2_666
O4 Zn1 O2 88.48(14) 2_666 2_666
O4 Zn1 O2 88.48(14) . .
O4 Zn1 O2 91.52(14) 2_666 .
O2 Zn1 O2 180.00(10) 2_666 .
O4 Zn1 O3 84.39(15) . .
O4 Zn1 O3 95.61(15) 2_666 .
O2 Zn1 O3 93.28(12) 2_666 .
O2 Zn1 O3 86.72(12) . .
O4 Zn1 O3 95.61(15) . 2_666
O4 Zn1 O3 84.39(15) 2_666 2_666
O2 Zn1 O3 86.72(12) 2_666 2_666
O2 Zn1 O3 93.28(12) . 2_666
O3 Zn1 O3 180.0 . 2_666
O11 Cl3 O10 107.4(5) . .
O11 Cl3 O9 116.9(7) . .
O10 Cl3 O9 106.6(5) . .
O11 Cl3 O7 108.1(5) . .
O10 Cl3 O7 112.0(6) . .
O9 Cl3 O7 105.9(4) . .
O14 Cl7 O13 103.3(8) . .
O14 Cl7 O12 119.2(14) . .
O13 Cl7 O12 102.1(11) . .
O14 Cl7 O8 109.8(10) . .
O13 Cl7 O8 123.4(10) . .
O12 Cl7 O8 100.0(6) . .
C20 O2 Zn1 134.8(2) . .
C1 O1 C13 120.5(3) . .
C23 O3 Zn1 120.3(3) . .
C20 N3 C21 127.6(3) . .
C22 O4 Zn1 122.9(3) . .
C12 C13 O1 115.9(3) . .
C12 C13 C8 123.6(3) . .
O1 C13 C8 120.5(3) . .
C11 N1 C27 122.3(4) . .
C11 N1 C25 121.9(4) . .
C27 N1 C25 115.8(4) . .
C7 C6 C5 124.5(3) . .
C7 C6 C1 119.4(3) . .
C5 C6 C1 116.0(3) . .
C2 C1 O1 116.6(3) . .
C2 C1 C6 123.0(3) . .
O1 C1 C6 120.4(3) . .
O2 C20 N3 124.4(4) . .
O2 C20 C19 119.1(3) . .
N3 C20 C19 116.5(3) . .
C18 C19 C14 119.6(3) . .
C18 C19 C20 121.2(3) . .
C14 C19 C20 119.2(3) . .
C15 C14 C19 118.8(3) . .
C15 C14 C7 119.7(3) . .
C19 C14 C7 121.4(3) . .
C13 C12 C11 119.8(3) . .
C8 C7 C6 119.4(3) . .
C8 C7 C14 120.9(3) . .
C6 C7 C14 119.7(3) . .
N1 C11 C12 122.1(4) . .
N1 C11 C10 120.5(4) . .
C12 C11 C10 117.4(3) . .
C7 C8 C13 119.6(3) . .
C7 C8 C9 124.6(3) . .
C13 C8 C9 115.7(3) . .
C3 N2 C31 122.2(4) . .
C3 N2 C29 120.2(4) . .
C31 N2 C29 117.3(4) . .
C4 C5 C6 122.0(4) . .
N2 C3 C2 122.2(4) . .
N2 C3 C4 120.5(4) . .
C2 C3 C4 117.3(4) . .
C17 C18 C19 120.3(4) . .
C9 C10 C11 121.2(4) . .
C16 C15 C14 121.3(4) . .
C5 C4 C3 121.2(4) . .
C18 C17 C16 120.2(4) . .
C10 C9 C8 122.2(4) . .
C1 C2 C3 120.3(4) . .
C17 C16 C15 119.8(4) . .
N1 C27 C28 111.8(5) . .
N3 C21 C23 111.1(4) . .
N3 C21 C22 111.6(4) . .
C23 C21 C22 113.6(4) . .
N3 C21 C24 105.8(4) . .
C23 C21 C24 105.7(4) . .
C22 C21 C24 108.5(4) . .
N2 C31 C32 112.1(5) . .
N1 C25 C26 112.8(5) . .
O3 C23 C21 113.7(4) . .
O5 C24 C21 114.9(5) . .
O4 C22 C21 112.5(4) . .
N2 C29 C30 113.3(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O4 2.031(4) .
Zn1 O4 2.031(4) 2_666
Zn1 O2 2.055(3) 2_666
Zn1 O2 2.055(3) .
Zn1 O3 2.115(3) .
Zn1 O3 2.115(3) 2_666
Cl3 O11 1.372(7) .
Cl3 O10 1.377(6) .
Cl3 O9 1.398(6) .
Cl3 O7 1.404(6) .
Cl7 O14 1.211(10) .
Cl7 O13 1.307(9) .
Cl7 O12 1.357(11) .
Cl7 O8 1.389(8) .
O2 C20 1.232(4) .
O1 C1 1.369(4) .
O1 C13 1.371(4) .
O3 C23 1.414(6) .
N3 C20 1.330(5) .
N3 C21 1.475(5) .
O4 C22 1.434(6) .
C13 C12 1.360(5) .
C13 C8 1.414(5) .
N1 C11 1.346(5) .
N1 C27 1.461(6) .
N1 C25 1.480(6) .
C6 C7 1.403(5) .
C6 C5 1.413(5) .
C6 C1 1.415(5) .
C1 C2 1.364(5) .
C20 C19 1.501(5) .
C19 C18 1.393(5) .
C19 C14 1.399(5) .
C14 C15 1.381(5) .
C14 C7 1.488(5) .
C12 C11 1.419(6) .
C7 C8 1.398(5) .
C11 C10 1.431(6) .
C8 C9 1.418(5) .
N2 C3 1.338(5) .
N2 C31 1.478(6) .
N2 C29 1.486(7) .
C5 C4 1.356(6) .
C3 C2 1.410(6) .
C3 C4 1.430(6) .
C18 C17 1.376(6) .
C10 C9 1.351(5) .
C15 C16 1.378(6) .
C17 C16 1.377(6) .
O5 C24 1.359(8) .
C27 C28 1.515(9) .
C21 C23 1.520(7) .
C21 C22 1.521(7) .
C21 C24 1.553(7) .
C31 C32 1.495(10) .
C26 C25 1.501(8) .
C30 C29 1.512(12) .
