#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:05:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179740 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/36/7003606.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_7003606
loop_
_publ_author_name
'Zhou, Zhao-Hui'
'Chen, Can-Yu'
'Cao, Ze-Xing'
'Tsai, Khi-Rui'
'Chow, Yuan L.'
_publ_section_title
;
 N-heterocycle chelated oxomolybdenum(VI and V) complexes with
 bidentate citrate
;
_journal_issue                   18
_journal_name_full               'Dalton Transactions'
_journal_page_first              2475
_journal_page_last               2479
_journal_paper_doi               10.1039/B717452G
_journal_year                    2008
_chemical_formula_sum            'C32 H36 Mo2 N4 O21'
_chemical_formula_weight         1004.53
_chemical_name_common            'Citrato bipyridine molybdate'
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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
_cell_angle_alpha                103.71(4)
_cell_angle_beta                 107.11(4)
_cell_angle_gamma                94.48(3)
_cell_formula_units_Z            2
_cell_length_a                   10.306(3)
_cell_length_b                   13.089(5)
_cell_length_c                   16.049(9)
_cell_measurement_temperature    296(2)
_cell_volume                     1984.5(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.874
_diffrn_measured_fraction_theta_max 0.874
_diffrn_measurement_device_type  'Bruker Apex CCD diffractometer'
_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  0.0619
_diffrn_reflns_av_sigmaI/netI    0.1983
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24574
_diffrn_reflns_theta_full        32.50
_diffrn_reflns_theta_max         32.50
_diffrn_reflns_theta_min         2.79
_exptl_absorpt_coefficient_mu    0.721
_exptl_absorpt_correction_T_max  0.8693
_exptl_absorpt_correction_T_min  0.8693
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.558
_refine_diff_density_min         -0.646
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.893
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     565
_refine_ls_number_reflns         12584
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      0.892
_refine_ls_R_factor_all          0.1416
_refine_ls_R_factor_gt           0.0547
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0661P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1247
_refine_ls_wR_factor_ref         0.1514
_reflns_number_gt                5116
_reflns_number_total             12584
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B717452G.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'multi scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1984.6(15)
_cod_database_code               7003606
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.24359(4) 0.35256(3) 0.17366(3) 0.03983(12) Uani 1 1 d . . .
Mo2 Mo 0.01733(4) 0.26261(3) 0.29619(3) 0.04258(13) Uani 1 1 d . . .
N1 N 0.1785(4) 0.5165(3) 0.1945(3) 0.0526(10) Uani 1 1 d . . .
N2 N 0.0172(4) 0.3417(3) 0.0793(3) 0.0502(10) Uani 1 1 d . . .
N11 N -0.0685(4) 0.4167(3) 0.3031(3) 0.0463(9) Uani 1 1 d . . .
N12 N 0.1686(4) 0.3985(3) 0.4163(3) 0.0501(10) Uani 1 1 d . . .
O1 O 0.2691(3) 0.2064(2) 0.1173(2) 0.0453(7) Uani 1 1 d . . .
O2 O 0.2832(3) 0.3711(3) 0.0581(2) 0.0552(8) Uani 1 1 d . . .
O3 O 0.3849(5) 0.3038(4) -0.0430(3) 0.1007(15) Uani 1 1 d . . .
O4 O 0.5724(5) 0.1928(4) 0.2616(4) 0.1059(16) Uani 1 1 d . . .
O5 O 0.5048(9) 0.0432(5) 0.1448(4) 0.139(2) Uani 1 1 d D . .
O6 O 0.0957(5) 0.1543(4) -0.1004(3) 0.1012(15) Uani 1 1 d . . .
O7 O 0.0708(6) -0.0043(4) -0.0767(3) 0.1049(16) Uani 1 1 d D . .
O8 O 0.3939(3) 0.4117(3) 0.2532(3) 0.0703(10) Uani 1 1 d . . .
O9 O 0.1435(3) 0.3025(2) 0.24037(19) 0.0439(7) Uani 1 1 d . . .
O11 O 0.1212(3) 0.1518(2) 0.3344(2) 0.0432(7) Uani 1 1 d . . .
O12 O -0.0512(3) 0.2417(2) 0.4014(2) 0.0487(8) Uani 1 1 d . . .
O13 O -0.0750(3) 0.1294(3) 0.4815(2) 0.0599(9) Uani 1 1 d . . .
O14 O 0.3372(4) -0.0002(4) 0.4022(4) 0.0929(14) Uani 1 1 d . . .
O15 O 0.4443(4) 0.1597(4) 0.4901(4) 0.0934(14) Uani 1 1 d D . .
O16 O -0.1994(4) 0.0098(3) 0.2715(3) 0.0903(14) Uani 1 1 d . . .
O17 O -0.1626(6) -0.1519(4) 0.2865(5) 0.122(2) Uani 1 1 d D . .
O18 O -0.1241(3) 0.2060(3) 0.2062(2) 0.0568(8) Uani 1 1 d . . .
C1 C 0.3481(5) 0.1993(4) 0.0566(3) 0.0589(13) Uani 1 1 d . . .
C2 C 0.3387(5) 0.2971(5) 0.0168(3) 0.0591(13) Uani 1 1 d . . .
C3 C 0.5027(6) 0.2101(6) 0.1102(5) 0.085(2) Uani 1 1 d . . .
H3A H 0.5510 0.1852 0.0676 0.102 Uiso 1 1 calc R . .
H3B H 0.5387 0.2850 0.1394 0.102 Uiso 1 1 calc R . .
C4 C 0.5347(7) 0.1490(6) 0.1825(5) 0.0845(19) Uani 1 1 d . . .
C5 C 0.2962(7) 0.0926(5) -0.0181(4) 0.0801(18) Uani 1 1 d . . .
H5A H 0.3496 0.0874 -0.0592 0.096 Uiso 1 1 calc R . .
H5B H 0.3088 0.0339 0.0093 0.096 Uiso 1 1 calc R . .
C6 C 0.1492(7) 0.0846(5) -0.0693(3) 0.0681(16) Uani 1 1 d . . .
C7 C 0.2641(7) 0.6010(4) 0.2531(4) 0.0792(18) Uani 1 1 d . . .
H7A H 0.3497 0.5908 0.2873 0.095 Uiso 1 1 calc R . .
C8 C 0.2331(9) 0.7053(5) 0.2668(5) 0.097(2) Uani 1 1 d . . .
H8A H 0.2945 0.7630 0.3095 0.116 Uiso 1 1 calc R . .
C9 C 0.1062(10) 0.7168(6) 0.2131(5) 0.111(3) Uani 1 1 d . . .
H9A H 0.0815 0.7843 0.2194 0.133 Uiso 1 1 calc R . .
C10 C 0.0152(7) 0.6311(4) 0.1503(4) 0.0772(17) Uani 1 1 d . . .
H10A H -0.0689 0.6398 0.1131 0.093 Uiso 1 1 calc R . .
C11 C 0.0544(6) 0.5301(4) 0.1448(4) 0.0590(14) Uani 1 1 d . . .
C12 C -0.0373(5) 0.4321(4) 0.0820(3) 0.0498(11) Uani 1 1 d . . .
C13 C -0.1756(6) 0.4295(6) 0.0286(4) 0.0761(18) Uani 1 1 d . . .
H13A H -0.2127 0.4919 0.0277 0.091 Uiso 1 1 calc R . .
C14 C -0.2517(6) 0.3332(7) -0.0209(4) 0.087(2) Uani 1 1 d . . .
H14A H -0.3432 0.3289 -0.0550 0.105 Uiso 1 1 calc R . .
C15 C -0.1936(7) 0.2410(6) -0.0207(5) 0.0847(19) Uani 1 1 d . . .
H15A H -0.2452 0.1752 -0.0558 0.102 Uiso 1 1 calc R . .
C16 C -0.0606(5) 0.2474(4) 0.0309(3) 0.0583(14) Uani 1 1 d . . .
H16A H -0.0231 0.1853 0.0326 0.070 Uiso 1 1 calc R . .
C21 C 0.0838(4) 0.0996(3) 0.3951(3) 0.0415(10) Uani 1 1 d . . .
C22 C -0.0227(5) 0.1586(4) 0.4299(3) 0.0474(11) Uani 1 1 d . . .
C23 C 0.2102(5) 0.1146(4) 0.4802(4) 0.0585(13) Uani 1 1 d . . .
H23A H 0.1893 0.0707 0.5170 0.070 Uiso 1 1 calc R . .
H23B H 0.2297 0.1883 0.5160 0.070 Uiso 1 1 calc R . .
C24 C 0.3394(6) 0.0841(5) 0.4552(4) 0.0626(14) Uani 1 1 d . . .
C25 C 0.0277(5) -0.0188(4) 0.3499(4) 0.0574(13) Uani 1 1 d . . .
H25A H 0.0773 -0.0449 0.3085 0.069 Uiso 1 1 calc R . .
H25B H 0.0493 -0.0561 0.3966 0.069 Uiso 1 1 calc R . .
C26 C -0.1196(6) -0.0488(4) 0.2999(4) 0.0636(15) Uani 1 1 d . . .
C27 C -0.1905(5) 0.4212(5) 0.2451(4) 0.0617(14) Uani 1 1 d . . .
H27A H -0.2382 0.3587 0.2013 0.074 Uiso 1 1 calc R . .
C28 C -0.2493(6) 0.5106(5) 0.2461(4) 0.0751(17) Uani 1 1 d . . .
H28A H -0.3337 0.5089 0.2034 0.090 Uiso 1 1 calc R . .
C29 C -0.1819(7) 0.6039(5) 0.3114(5) 0.0845(19) Uani 1 1 d . . .
H29A H -0.2198 0.6664 0.3136 0.101 Uiso 1 1 calc R . .
C30 C -0.0550(7) 0.6024(4) 0.3744(4) 0.0727(16) Uani 1 1 d . . .
H30A H -0.0077 0.6641 0.4193 0.087 Uiso 1 1 calc R . .
C31 C 0.0003(5) 0.5077(4) 0.3693(3) 0.0523(12) Uani 1 1 d . . .
C32 C 0.1322(5) 0.4973(4) 0.4336(3) 0.0499(11) Uani 1 1 d . . .
C33 C 0.2162(6) 0.5813(5) 0.5066(4) 0.0723(17) Uani 1 1 d . . .
H33A H 0.1889 0.6479 0.5180 0.087 Uiso 1 1 calc R . .
C34 C 0.3377(6) 0.5649(5) 0.5604(5) 0.0778(18) Uani 1 1 d . . .
H34A H 0.3941 0.6203 0.6085 0.093 Uiso 1 1 calc R . .
C35 C 0.3763(5) 0.4662(5) 0.5432(4) 0.0705(17) Uani 1 1 d . . .
H35A H 0.4575 0.4532 0.5807 0.085 Uiso 1 1 calc R . .
C36 C 0.2896(5) 0.3836(5) 0.4668(4) 0.0628(14) Uani 1 1 d . . .
H36A H 0.3186 0.3181 0.4520 0.075 Uiso 1 1 calc R . .
O1W O -0.1965(5) -0.0418(4) -0.1856(3) 0.0878(13) Uani 1 1 d D . .
O2W O 0.6413(5) 0.1234(6) 0.4203(4) 0.1161(19) Uani 1 1 d D . .
O3W O 0.4610(9) -0.0684(6) 0.2617(5) 0.166(3) Uani 1 1 d D . .
O4W O -0.4202(7) -0.2369(7) 0.2079(6) 0.186(4) Uani 1 1 d D . .
H1 H 0.478(13) -0.023(2) 0.134(9) 0.223 Uiso 1 1 d D . .
H2 H 0.003(8) -0.037(9) -0.123(5) 0.223 Uiso 1 1 d D . .
H11 H 0.520(6) 0.144(9) 0.483(8) 0.223 Uiso 1 1 d D . .
H12 H -0.136(12) -0.210(5) 0.265(8) 0.223 Uiso 1 1 d D . .
H1W2 H -0.163(9) -0.048(10) -0.228(4) 0.223 Uiso 1 1 d D . .
H2W1 H 0.647(12) 0.136(9) 0.372(4) 0.223 Uiso 1 1 d D . .
H2W2 H 0.705(9) 0.164(8) 0.466(4) 0.223 Uiso 1 1 d D . .
H3W1 H 0.506(10) -0.109(8) 0.235(6) 0.223 Uiso 1 1 d D . .
H3W2 H 0.490(12) -0.063(10) 0.3183(17) 0.223 Uiso 1 1 d D . .
H4W1 H -0.359(10) -0.182(6) 0.221(9) 0.223 Uiso 1 1 d 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'
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'
Mo Mo -1.6832 0.6857 '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
O8 Mo1 O9 102.77(17) . . ?
O8 Mo1 O1 106.66(16) . . ?
O9 Mo1 O1 92.12(12) . . ?
O8 Mo1 O2 100.68(17) . . ?
O9 Mo1 O2 156.36(13) . . ?
O1 Mo1 O2 78.25(13) . . ?
O8 Mo1 N1 86.72(17) . . ?
O9 Mo1 N1 95.32(14) . . ?
O1 Mo1 N1 162.87(14) . . ?
O2 Mo1 N1 88.95(14) . . ?
O8 Mo1 N2 156.48(17) . . ?
O9 Mo1 N2 79.23(13) . . ?
O1 Mo1 N2 96.62(14) . . ?
O2 Mo1 N2 80.50(13) . . ?
N1 Mo1 N2 69.78(15) . . ?
O18 Mo2 O9 102.00(15) . . ?
O18 Mo2 O11 110.11(15) . . ?
O9 Mo2 O11 92.25(12) . . ?
O18 Mo2 O12 100.75(15) . . ?
O9 Mo2 O12 157.18(13) . . ?
O11 Mo2 O12 78.28(12) . . ?
O18 Mo2 N11 87.05(16) . . ?
O9 Mo2 N11 93.03(12) . . ?
O11 Mo2 N11 160.55(13) . . ?
O12 Mo2 N11 89.83(13) . . ?
O18 Mo2 N12 157.34(16) . . ?
O9 Mo2 N12 79.64(13) . . ?
O11 Mo2 N12 92.32(14) . . ?
O12 Mo2 N12 80.05(13) . . ?
N11 Mo2 N12 70.29(14) . . ?
C7 N1 C11 118.7(5) . . ?
C7 N1 Mo1 120.7(4) . . ?
C11 N1 Mo1 120.5(3) . . ?
C16 N2 C12 120.4(4) . . ?
C16 N2 Mo1 121.1(3) . . ?
C12 N2 Mo1 118.1(3) . . ?
C27 N11 C31 118.0(4) . . ?
C27 N11 Mo2 121.3(3) . . ?
C31 N11 Mo2 120.7(3) . . ?
C36 N12 C32 118.9(5) . . ?
C36 N12 Mo2 122.6(4) . . ?
C32 N12 Mo2 118.5(3) . . ?
C1 O1 Mo1 115.5(3) . . ?
C2 O2 Mo1 117.5(3) . . ?
Mo1 O9 Mo2 169.92(17) . . ?
C21 O11 Mo2 119.2(2) . . ?
C22 O12 Mo2 117.0(3) . . ?
O1 C1 C5 109.3(4) . . ?
O1 C1 C3 109.8(4) . . ?
C5 C1 C3 111.6(5) . . ?
O1 C1 C2 109.6(4) . . ?
C5 C1 C2 112.2(4) . . ?
C3 C1 C2 104.3(4) . . ?
O2 C2 O3 124.9(5) . . ?
O2 C2 C1 113.0(4) . . ?
O3 C2 C1 122.1(5) . . ?
C4 C3 C1 115.0(5) . . ?
O4 C4 O5 126.1(7) . . ?
O4 C4 C3 122.4(7) . . ?
O5 C4 C3 111.4(7) . . ?
C6 C5 C1 110.7(5) . . ?
O6 C6 O7 119.3(6) . . ?
O6 C6 C5 125.8(6) . . ?
O7 C6 C5 114.8(6) . . ?
N1 C7 C8 123.8(6) . . ?
C9 C8 C7 115.9(6) . . ?
C10 C9 C8 121.9(6) . . ?
C9 C10 C11 117.4(6) . . ?
N1 C11 C10 122.1(6) . . ?
N1 C11 C12 115.9(4) . . ?
C10 C11 C12 122.0(5) . . ?
N2 C12 C13 120.4(5) . . ?
N2 C12 C11 115.5(4) . . ?
C13 C12 C11 124.0(5) . . ?
C14 C13 C12 118.0(6) . . ?
C13 C14 C15 120.2(5) . . ?
C16 C15 C14 119.7(6) . . ?
N2 C16 C15 121.1(6) . . ?
O11 C21 C25 111.9(4) . . ?
O11 C21 C23 109.2(4) . . ?
C25 C21 C23 110.7(4) . . ?
O11 C21 C22 108.2(4) . . ?
C25 C21 C22 111.4(4) . . ?
C23 C21 C22 105.2(4) . . ?
O12 C22 O13 122.5(4) . . ?
O12 C22 C21 115.2(4) . . ?
O13 C22 C21 122.2(4) . . ?
C21 C23 C24 111.9(4) . . ?
O14 C24 O15 123.8(5) . . ?
O14 C24 C23 122.3(5) . . ?
O15 C24 C23 113.6(5) . . ?
C26 C25 C21 117.8(4) . . ?
O16 C26 O17 121.2(5) . . ?
O16 C26 C25 127.0(5) . . ?
O17 C26 C25 111.8(5) . . ?
N11 C27 C28 124.5(5) . . ?
C27 C28 C29 119.0(5) . . ?
C28 C29 C30 118.4(5) . . ?
C31 C30 C29 119.8(6) . . ?
N11 C31 C30 120.4(5) . . ?
N11 C31 C32 115.7(4) . . ?
C30 C31 C32 123.9(5) . . ?
N12 C32 C33 121.3(5) . . ?
N12 C32 C31 114.7(4) . . ?
C33 C32 C31 124.0(5) . . ?
C34 C33 C32 119.7(5) . . ?
C33 C34 C35 119.6(6) . . ?
C34 C35 C36 118.9(5) . . ?
N12 C36 C35 121.4(5) . . ?
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
Mo1 O8 1.676(4) . ?
Mo1 O9 1.875(3) . ?
Mo1 O1 1.987(3) . ?
Mo1 O2 2.075(3) . ?
Mo1 N1 2.277(4) . ?
Mo1 N2 2.351(4) . ?
Mo2 O18 1.686(3) . ?
Mo2 O9 1.888(3) . ?
Mo2 O11 1.976(3) . ?
Mo2 O12 2.077(3) . ?
Mo2 N11 2.257(4) . ?
Mo2 N12 2.342(4) . ?
N1 C7 1.323(7) . ?
N1 C11 1.344(6) . ?
N2 C16 1.339(6) . ?
N2 C12 1.345(6) . ?
N11 C27 1.341(6) . ?
N11 C31 1.370(6) . ?
N12 C36 1.330(6) . ?
N12 C32 1.362(6) . ?
O1 C1 1.435(6) . ?
O2 C2 1.308(6) . ?
O3 C2 1.207(6) . ?
O4 C4 1.194(8) . ?
O5 C4 1.343(9) . ?
O6 C6 1.231(7) . ?
O7 C6 1.324(8) . ?
O11 C21 1.435(5) . ?
O12 C22 1.299(6) . ?
O13 C22 1.226(5) . ?
O14 C24 1.217(7) . ?
O15 C24 1.294(7) . ?
O16 C26 1.232(7) . ?
O17 C26 1.332(7) . ?
C1 C5 1.545(8) . ?
C1 C3 1.549(8) . ?
C1 C2 1.558(7) . ?
C3 C4 1.533(9) . ?
C5 C6 1.478(9) . ?
C7 C8 1.408(9) . ?
C8 C9 1.380(10) . ?
C9 C10 1.377(10) . ?
C10 C11 1.402(7) . ?
C11 C12 1.480(7) . ?
C12 C13 1.424(7) . ?
C13 C14 1.356(9) . ?
C14 C15 1.389(10) . ?
C15 C16 1.361(8) . ?
C21 C25 1.531(6) . ?
C21 C23 1.545(6) . ?
C21 C22 1.549(6) . ?
C23 C24 1.554(7) . ?
C25 C26 1.464(7) . ?
C27 C28 1.358(8) . ?
C28 C29 1.381(9) . ?
C29 C30 1.403(9) . ?
C30 C31 1.398(7) . ?
C31 C32 1.484(7) . ?
C32 C33 1.405(7) . ?
C33 C34 1.362(9) . ?
C34 C35 1.370(8) . ?
C35 C36 1.432(8) . ?
