#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/11/4321126.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_4321126
loop_
_publ_author_name
'Antonis T. Vlahos'
'Evagelos I. Tolis'
'Catherine P. Raptopoulou'
'Alexandros Tsohos'
'Michael P. Sigalas'
'Aris Terzis'
'Themistoklis A. Kabanos'
_publ_section_title
;
 Model Investigations of Vanadium-Protein Interactions: Novel
 Vanadium(III) and Oxovanadium(IV) Compounds with the Diamidate Ligand
 1,2-Bis(2-pyridinecarboxamide)benzene (H2bpb)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2977
_journal_page_last               2985
_journal_paper_doi               10.1021/ic990837z
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C41.96 H43.48 Cl4 N8 O9.01 V2'
_chemical_formula_weight         1047.71
_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
_cell_angle_alpha                99.013(5)
_cell_angle_beta                 104.728(7)
_cell_angle_gamma                102.992(7)
_cell_formula_units_Z            1
_cell_length_a                   9.140(2)
_cell_length_b                   11.058(2)
_cell_length_c                   14.175(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      27
_cell_measurement_theta_min      12
_cell_volume                     1314.9(4)
_computing_cell_refinement
'Program LEAST (UCLA Crystallographic package, C.E.Strouse 1994)'
_computing_data_collection
'Program COLLECT (UCLA Crystallographic package, C.E.Strouse 1994)'
_computing_data_reduction
'Program REDUCE (UCLA Crystallographic package, C.E.Strouse 1994)'
_computing_molecular_graphics    ORTEP
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device
'P21 Nicolet diffractometer upgraded by Crystal Logic'
_diffrn_measurement_method       'theta-2theta scans'
_diffrn_radiation_monochromator  Ni-filter
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_number            4063
_diffrn_reflns_theta_max         59
_diffrn_reflns_theta_min         0
_diffrn_standards_decay_%        -3.0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.16
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.95
_exptl_absorpt_correction_type   'psi-scan empirical'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_meas      1.40
_exptl_crystal_density_method    'floating method'
_exptl_crystal_description       parallelipiped
_exptl_crystal_F_000             537
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.517
_refine_diff_density_min         -0.466
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.066
_refine_ls_goodness_of_fit_obs   1.080
_refine_ls_matrix_type           full
_refine_ls_number_parameters     465
_refine_ls_number_reflns         3766
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.062
_refine_ls_restrained_S_obs      1.084
_refine_ls_R_factor_all          0.1068
_refine_ls_R_factor_obs          0.0638
_refine_ls_shift/esd_max         0.189
_refine_ls_shift/esd_mean        0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1156P)²+0.6091P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1976
_refine_ls_wR_factor_obs         0.1627
_reflns_number_observed          2491
_reflns_number_total             4189
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic990837z_1.cif
_cod_data_source_block           shel93
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1156P)^2^+0.6091P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1156P)^2^+0.6091P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C41.96 H43.48 N8 O9.01 Cl4 V2'
_cod_database_code               4321126
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
V V 0.1154(1) 0.9363(1) 0.3114(1) 0.050(1) Uani 1 d . .
Cl Cl 0.3219(3) 01.0838(2) 0.4331(1) 0.064(1) Uani 1 d . .
ClA Cl -0.0118(11) 0.7870(9) 0.3692(7) 0.060(1) Uani 1 d . .
O O 0.0522(7) 0.8430(6) 0.3761(4) 0.066(2) Uani 1 d . .
OA O 0.2483(30) 1.0267(25) 0.4184(19) 0.060(1) Uani 1 d . .
N1 N 0.2642(6) 0.8356(4) 0.2628(3) 0.051(1) Uani 1 d . .
O1 O -0.0217(5) 0.8303(4) 0.1693(3) 0.053(1) Uani 1 d . .
O2 O 0.1533(5) 1.0738(4) 0.2203(3) 0.053(1) Uani 1 d . .
N4 N -0.0476(5) 1.0423(4) 0.3206(3) 0.050(1) Uani 1 d . .
C1 C 0.4050(8) 0.8305(6) 0.3183(5) 0.064(2) Uani 1 d . .
C2 C 0.4839(8) 0.7487(7) 0.2874(5) 0.071(2) Uani 1 d . .
C3 C 0.4190(8) 0.6664(7) 0.1943(5) 0.066(2) Uani 1 d . .
C4 C 0.2715(7) 0.6691(6) 0.1360(4) 0.055(1) Uani 1 d . .
C5 C 0.1993(6) 0.7541(5) 0.1716(4) 0.047(1) Uani 1 d . .
C6 C 0.0414(6) 0.7654(5) 0.1192(4) 0.044(1) Uani 1 d . .
N2 N -0.0250(5) 0.7095(4) 0.0243(3) 0.042(1) Uani 1 d . .
C7 C -0.1830(6) 0.7004(5) -0.0310(4) 0.041(1) Uani 1 d . .
C8 C -0.3049(7) 0.6632(5) 0.0087(4) 0.051(1) Uani 1 d . .
C9 C -0.4588(7) 0.6470(6) -0.0475(5) 0.056(1) Uani 1 d . .
C10 C -0.4893(7) 0.6679(6) -0.1442(5) 0.058(2) Uani 1 d . .
C11 C -0.3696(7) 0.7050(6) -0.1833(4) 0.052(1) Uani 1 d . .
C12 C -0.2146(6) 0.7221(5) -0.1274(4) 0.042(1) Uani 1 d . .
N3 N 0.0892(5) 1.2434(5) 0.1689(3) 0.047(1) Uani 1 d . .
C13 C 0.0700(6) 1.1505(5) 0.2175(4) 0.046(1) Uani 1 d . .
C14 C -0.0491(7) 1.1372(5) 0.2711(4) 0.049(1) Uani 1 d . .
C15 C -0.1519(8) 1.2110(7) 0.2735(5) 0.063(2) Uani 1 d . .
C16 C -0.2525(9) 1.1911(8) 0.3298(5) 0.072(2) Uani 1 d . .
C17 C -0.2500(8) 1.0963(7) 0.3818(5) 0.067(2) Uani 1 d . .
C18 C -0.1471(8) 1.0251(7) 0.3759(4) 0.060(2) Uani 1 d . .
Cl2 Cl 0.0965(2) 0.5536(1) -0.1291(1) 0.058(1) Uani 1 d . .
OW O 0.2357(20) 0.3848(15) -0.2691(13) 0.110(8) Uani 1 d . .
OM1 O 0.5497(20) 0.9625(48) 0.0710(32) 0.024(13) Uiso 1 d . .
CM1 C 0.3868(36) 0.9332(73) 0.0040(46) 0.032(18) Uiso 1 d . .
CM2 C 0.4906(24) 0.9921(20) 0.0789(19) 0.067(6) Uani 1 d . .
OM2 O 0.3541(28) 0.9727(23) -0.0102(20) 0.118(10) Uani 1 d . .
OM3 O 0.6331(18) 1.0071(42) 0.0771(27) 0.111(14) Uani 1 d . .
CM3 C 0.4689(31) 0.9407(34) 0.0686(38) 0.071(8) Uani 1 d . .
O21 O 0.2601(42) 0.4705(22) 0.5771(17) 0.150(13) Uani 1 d . .
C22 C 0.1941(61) 0.3847(26) 0.4695(22) 0.163(16) Uani 1 d . .
C23 C 0.2091(72) 0.4899(41) 0.4172(19) 0.216(31) Uani 1 d . .
C24 C 0.2984(86) 0.5998(28) 0.4745(21) 0.162(33) Uani 1 d . .
C25 C 0.3754(36) 0.5915(27) 0.5787(18) 0.128(11) Uani 1 d . .
O31 O 0.2193(56) 0.4074(24) 0.5002(16) 0.219(19) Uani 1 d . .
C32 C 0.2204(38) 0.3879(22) 0.3928(18) 0.139(12) Uani 1 d . .
C33 C 0.2440(47) 0.5228(25) 0.3873(18) 0.134(12) Uani 1 d . .
C34 C 0.3022(66) 0.6028(22) 0.4740(23) 0.147(21) Uani 1 d . .
C35 C 0.3208(48) 0.5416(30) 0.5605(20) 0.135(12) Uani 1 d . .
H1 H 0.4583(86) 0.8898(68) 0.3707(57) 0.083(24) Uiso 1 d . .
H2 H 0.5868(88) 0.7702(70) 0.3423(58) 0.095(24) Uiso 1 d . .
H3 H 0.4731(65) 0.5963(55) 0.1641(43) 0.057(16) Uiso 1 d . .
H4 H 0.2220(72) 0.6064(60) 0.0680(48) 0.070(19) Uiso 1 d . .
HN2 H 0.0303(66) 0.6635(54) -0.0034(43) 0.053(17) Uiso 1 d . .
H8 H -0.2782(53) 0.6559(43) 0.0797(36) 0.032(12) Uiso 1 d . .
H9 H -0.5515(73) 0.6311(56) -0.0251(45) 0.061(18) Uiso 1 d . .
H10 H -0.5910(93) 0.6721(73) -0.1722(59) 0.100(26) Uiso 1 d . .
H11 H -0.3722(60) 0.7151(49) -0.2526(42) 0.047(14) Uiso 1 d . .
HN3 H 0.0378(64) 1.2982(52) 0.1772(42) 0.048(17) Uiso 1 d . .
H15 H -0.1405(99) 1.2799(82) 0.2424(65) 0.115(30) Uiso 1 d . .
H16 H -0.3040(76) 1.2494(63) 0.3364(50) 0.071(21) Uiso 1 d . .
H17 H -0.3183(71) 1.0827(56) 0.4255(46) 0.063(18) Uiso 1 d . .
H18 H -0.1545(61) 0.9594(50) 0.4092(41) 0.046(15) Uiso 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'
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'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
O V OA 87.6(9) . . ?
O V O1 99.0(2) . . ?
OA V O1 171.3(9) . . ?
O V N4 93.4(3) . . ?
OA V N4 93.1(8) . . ?
O1 V N4 92.1(2) . . ?
O V N1 98.0(3) . . ?
OA V N1 97.2(8) . . ?
O1 V N1 76.4(2) . . ?
N4 V N1 164.9(2) . . ?
O V O2 167.4(3) . . ?
OA V O2 96.4(9) . . ?
O1 V O2 78.3(2) . . ?
N4 V O2 74.5(2) . . ?
N1 V O2 93.3(2) . . ?
O V ClA 12.6(3) . . ?
OA V ClA 100.1(9) . . ?
O1 V ClA 86.6(3) . . ?
N4 V ClA 91.3(3) . . ?
N1 V ClA 97.6(3) . . ?
O2 V ClA 158.8(3) . . ?
O V Cl 100.8(2) . . ?
OA V Cl 13.3(9) . . ?
O1 V Cl 158.73(13) . . ?
N4 V Cl 94.56(14) . . ?
N1 V Cl 93.00(14) . . ?
O2 V Cl 84.02(12) . . ?
ClA V Cl 113.3(2) . . ?
OA Cl V 30(2) . . ?
O ClA V 28.7(8) . . ?
ClA O V 138.7(10) . . ?
Cl OA V 136(3) . . ?
C1 N1 C5 117.2(5) . . ?
C1 N1 V 126.5(4) . . ?
C5 N1 V 115.5(4) . . ?
C6 O1 V 117.6(3) . . ?
C13 O2 V 116.2(3) . . ?
C18 N4 C14 117.3(5) . . ?
C18 N4 V 124.3(4) . . ?
C14 N4 V 118.4(4) . . ?
N1 C1 C2 123.5(6) . . ?
C1 C2 C3 119.5(6) . . ?
C2 C3 C4 117.8(6) . . ?
C5 C4 C3 119.6(6) . . ?
N1 C5 C4 122.4(5) . . ?
N1 C5 C6 112.1(5) . . ?
C4 C5 C6 125.4(5) . . ?
O1 C6 N2 123.0(5) . . ?
O1 C6 C5 117.5(5) . . ?
N2 C6 C5 119.5(5) . . ?
C6 N2 C7 124.7(5) . . ?
C8 C7 C12 120.1(5) . . ?
C8 C7 N2 120.2(4) . . ?
C12 C7 N2 119.6(5) . . ?
C7 C8 C9 120.0(5) . . ?
C8 C9 C10 119.5(6) . . ?
C11 C10 C9 120.7(6) . . ?
C10 C11 C12 120.4(5) . . ?
C11 C12 C7 119.3(5) . . ?
C11 C12 N3 120.7(5) . 3_565 ?
C7 C12 N3 119.9(5) . 3_565 ?
C13 N3 C12 124.9(5) . 3_565 ?
O2 C13 N3 121.5(5) . . ?
O2 C13 C14 118.8(5) . . ?
N3 C13 C14 119.7(5) . . ?
N4 C14 C15 121.9(5) . . ?
N4 C14 C13 112.1(5) . . ?
C15 C14 C13 126.0(5) . . ?
C16 C15 C14 119.7(6) . . ?
C15 C16 C17 118.8(7) . . ?
C18 C17 C16 119.1(6) . . ?
N4 C18 C17 123.1(6) . . ?
CM2 OM12 CM3 45(3) . . ?
CM2 ON1 OM3 118(8) . . ?
CM3 OM1 OM3 162(10) . . ?
CM2 OM1 CM1 54(4) . . ?
CM3 OM1 CM1 37(5) . . ?
OM3 OM1 CM1 138(7) . . ?
CM2 OM1 OM2 113(6) . 3_665 ?
CM3 OM1 OM2 138(6) . 3_665 ?
OM3 OM1 OM2 39(4) . 3_665 ?
CM1 OM1 OM2 102(4) . 3_665 ?
CM2 OM1 CM1 94(6) . 3_665 ?
CM3 OM1 CM1 122(6) . 3_665 ?
OM3 OM1 CM1 49(4) . 3_665 ?
CM1 OM1 CM1 89(4) . 3_665 ?
OM2 OM1 CM1 19(2) 3_665 3-665 ?
OM2 CM1 CM3 130(10) . . ?
OM2 CM1 CM2 105(90 . . ?
CM3 CM1 CM2 27(2) . . ?
CM2 CM1 OM3 116(6) . 3_665 ?
OM2 CM1 OM1 125(8) . . ?
CM3 CM1 OM1 25(2) . . ?
CM2 CM1 OM1 29(2) . . ?
OM3 CM1 OM1 116(5) 3_665 . ?
OM2 CM1 OM1 56(7) . 3_665 ?
CM3 CM1 OM1 114(5) . 3_665 ?
CM2 CM1 OM1 94(4) . 3_665 ?
OM3 CM1 OM1 25(2) 3_665 3_665 ?
OM1 CM1 OM1 91(4) . 3_665 ?
OM2 CM1 CM2 77(8) . 3_665 ?
CM3 CM1 CM2 104(4) . 3-665 ?
CM2 CM1 CM2 91(4) . 3_665 ?
OM3 CM1 CM2 41(2) 3_665 3_665 ?
OM1 CM1 CM2 79(3) . 3_665 ?
OM1 CM1 CM2 21(2) 3_665 3_665 ?
CM3 CM2 OM1 68(4) . . ?
CM3 CM2 CM1 56(7) . . ?
OM1 CM2 CM1 98(5) . . ?
CM3 CM2 OM3 100(4) . . ?
OM1 CM2 OM3 33(4) . . ?
CM1 CM2 OM3 118(4) . . ?
CM3 CM2 OM2 79(6) . . ?
OM1 CM2 OM2 116(4) . . ?
CM1 CM2 OM2 24(4) . . ?
OM3 CM2 OM2 125(3) . . ?
CM3 CM2 OM2 103(6) . 3_665 ?
OM1 CM2 OM2 47(5) . 3_665 ?
CM1 CM2 OM2 94(4) . 3_665 ?
OM3 CM2 OM2 30(2) . 3_665 ?
OM2 CM2 OM2 95(2) . 3_665 ?
CM3 CM2 CM1 115(7) . 3_665 ?
OM1 CM2 CM1 65(5) . 3_665 ?
CM1 CM2 CM1 89(4) . 3_665 ?
OM3 CM2 CM1 45(2) . 3_665 ?
OM2 CM2 CM1 84(2) . 3_665 ?
OM2 CM2 CM1 18(2) 3_665 3_665 ?
CM1 OM2 OM3 114(10) . 3_665 ?
CM1 OM2 CM3 32(6) . . ?
OM3 OM2 CM3 128(3) 3_665 . ?
CM1 OM2 CM2 52(6) . . ?
OM3 OM2 CM2 122(3) 3_665 . ?
CM3 OM2 CM2 21.1(12) . . ?
CM1 OM2 OM1 105(8) . 3_665 ?
OM3 OM2 OM1 28(2) 3_665 3_665 ?
CM3 OM2 OM1 105(2) . 3_665 ?
CM2 OM2 OM1 95(2) . 3_665 ?
CM1 OM2 CM2 85(8) . 3_665 ?
OM3 OM2 CM2 38(2) 3_665 3_665 ?
CM3 OM2 CM2 90(2) . 3_665 ?
CM2 OM2 CM2 85(2) . 3_665 ?
OM1 OM2 CM2 20(2) 3_665 3_665 ?
OM1 OM3 OM2 113(5) . 3_665 ?
OM1 OM3 CM2 30(4) . . ?
OM2 OM3 CM2 111(3) 3_665 . ?
OM1 OM3 CM1 106(4) . 3_665 ?
OM2 OM3 CM1 23(4) 3_665 3_665 ?
CM2 OM3 CM1 94(3) . 3_665 ?
OM1 OM3 CM3 9(5) . . ?
OM2 OM3 CM3 113(3) 3_665 . ?
CM2 OM3 CM3 21.1(13) . . ?
CM1 OM3 CM3 102(3) 3_665 . ?
CM2 CM3 OM1 68(5) . . ?
OM1 CM3 CM1 118(7) . . ?
CM2 CM3 OM2 80(6) . . ?
OM1 CM3 OM2 117(6) . . ?
CM1 CM3 OM2 19(5) . . ?
CM2 CM3 OM3 59(4) . . ?
OM1 CM3 OM3 9(5) . . ?
CM1 CM3 OM3 117(5) . . ?
OM2 CM3 OM3 112(3) . . ?
C25 O21 C22 110(2) . . ?
C23 C22 O21 96(2) . . ?
C24 C23 C22 114(2) . . ?
C23 C24 C25 113(2) . . ?
C24 C25 O21 96(2) . . ?
C32 O31 C35 111(2) . . ?
C33 C32 O31 96(2) . . ?
C34 C33 C32 114(2) . . ?
C33 C34 C35 114(2) . . ?
C34 C35 O31 96(2) . . ?
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
V O 1.593(6) . ?
V OA 1.68(3) . ?
V O1 2.078(4) . ?
V N4 2.109(5) . ?
V N1 2.116(5) . ?
V O2 2.169(4) . ?
V ClA 2.190(10) . ?
V Cl 2.298(2) . ?
Cl OA 0.77(3) . ?
ClA O 0.724(8) . ?
N1 C1 1.345(8) . ?
N1 C5 1.357(7) . ?
O1 C6 1.259(7) . ?
O2 C13 1.259(7) . ?
N4 C18 1.345(8) . ?
N4 C14 1.351(7) . ?
C1 C2 1.364(10) . ?
C2 C3 1.380(10) . ?
C3 C4 1.400(8) . ?
C4 C5 1.369(8) . ?
C5 C6 1.488(8) . ?
C6 N2 1.311(7) . ?
N2 C7 1.429(7) . ?
C7 C8 1.383(8) . ?
C7 C12 1.394(7) . ?
C8 C9 1.384(8) . ?
C9 C10 1.394(8) . ?
C10 C11 1.360(8) . ?
C11 C12 1.391(8) . ?
C12 N3 1.422(7) 3_565 ?
N3 C13 1.328(7) . ?
N3 C12 1.422(7) 3_565 ?
C13 C14 1.472(8) . ?
C14 C15 1.379(9) . ?
C15 C16 1.366(9) . ?
C16 C17 1.374(10) . ?
C17 C18 1.365(10) . ?
OM1 CM2 0.72(4) . ?
OM1 CM3 0.71(3) . ?
OM1 OM3 0.78(3) . ?
OM1 CM1 1.480(5) . ?
OM1 OM2 1.52(5) 3_665 ?
OM1 CM1 1.79(9) 3_665 ?
CM1 OM2 0.61(6) . ?
CM1 CM3 1.00(6) . ?
CM1 CM2 1.20(5) . ?
CM1 OM3 1.41(8) 3_665 ?
CM1 OM1 1.79(9) 3_665 ?
CM1 CM2 1.97(8) 3_665 ?
CM2 CM3 0.54(3) . ?
CM2 OM3 1.28(3) . ?
CM2 OM2 1.480(5) . ?
CM2 OM2 1.92(4) 3_665 ?
CM2 CM1 1.97(8) 3_665 ?
OM2 OM3 1.04(4) 3_665 ?
OM2 CM3 1.47(5) . ?
OM2 OM1 1.52(5) 3_665 ?
OM2 CM2 1.92(4) 3_665 ?
OM3 OM2 1.04(4) 3_665 ?
OM3 CM1 1.41(8) 3_665 ?
OM3 CM3 1.480(5) . ?
O21 C25 1.50(3) . ?
O21 C22 1.55(2) . ?
C22 C23 1.47(3) . ?
C23 C24 1.31(3) . ?
C24 C25 1.49(3) . ?
O31 C32 1.51(3) . ?
O31 C35 1.54(3) . ?
C32 C33 1.48(3) . ?
C33 C34 1.30(3) . ?
C34 C35 1.48(3) . ?
