#------------------------------------------------------------------------------
#$Date: 2018-10-27 05:37:22 +0300 (Sat, 27 Oct 2018) $
#$Revision: 211681 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/13/2021322.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2021322
loop_
_publ_author_name
'Guajardo, Juana'
'Ibañez, Andrés'
'Guerchais, Veronique'
'Vega, Andrés'
'Moya, Sergio'
'Aguirre, Pedro'
_publ_section_title
;
 Ruthenium(II)--carbonyl complexes containing two N-monodentate
 1,8-naphthyridine ligands: active catalysis in transfer hydrogenation
 reactions
;
_journal_coeditor_code           LF3077
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229618014201
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          '[Ru Cl2 (C15 H12 N2 O)2 (C O)2]'
_chemical_formula_moiety         'C32 H24 Cl2 N4 O4 Ru'
_chemical_formula_sum            'C32 H24 Cl2 N4 O4 Ru'
_chemical_formula_weight         700.52
_chemical_name_systematic
cis-Dicarbonyldichloridobis[2-(4-methoxyphenyl)-1,8-naphthyridine-κN⁸]ruthenium(II)
_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   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                93.707(2)
_cell_angle_beta                 105.555(2)
_cell_angle_gamma                116.417(2)
_cell_formula_units_Z            2
_cell_length_a                   10.8018(15)
_cell_length_b                   11.6708(16)
_cell_length_c                   14.248(2)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      46.865
_cell_measurement_theta_min      4.464
_cell_volume                     1514.1(4)
_computing_cell_refinement
;
SMART (Bruker, 2012)
;
_computing_data_collection
;
SMART (Bruker, 2012)
;
_computing_data_reduction
;
SAINT (Bruker, 2012)
;
_computing_molecular_graphics
;
SHELXTL (Bruker, 2012)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_unetI/netI     0.0352
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11949
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         1.994
_diffrn_source                   'fine focus sealed tube'
_exptl_absorpt_coefficient_mu    0.738
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.819
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2012)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_description       plate
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.758
_refine_diff_density_min         -0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         5886
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0376
_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)+(0.0470P)²+0.1027P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0856
_refine_ls_wR_factor_ref         0.0925
_reflns_number_gt                4861
_reflns_number_total             5886
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            lf3077sup1.cif
_cod_data_source_block           Ru_A
_cod_database_code               2021322
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
Ru Ru1 0.34638(2) 0.15266(2) 0.27576(2) 0.04391(10) Uani d 1
C C1 0.2245(3) 0.0235(3) 0.1584(3) 0.0568(8) Uani d 1
C C2 0.3888(3) 0.2831(3) 0.2017(2) 0.0483(7) Uani d 1
Cl Cl1 0.14218(8) 0.18405(9) 0.27848(6) 0.0595(2) Uani d 1
Cl Cl2 0.27212(9) -0.01997(8) 0.36903(7) 0.0635(2) Uani d 1
O O1 0.1472(3) -0.0529(3) 0.0876(2) 0.0893(9) Uani d 1
O O2 0.3996(2) 0.3603(2) 0.15678(18) 0.0679(6) Uani d 1
C C1A 0.4212(3) 0.2857(3) 0.4881(2) 0.0512(7) Uani d 1
H H1A 0.3261 0.2189 0.4754 0.061 Uiso calc 1
C C2A 0.4950(4) 0.3676(3) 0.5821(2) 0.0562(8) Uani d 1
H H2A 0.4471 0.3582 0.6287 0.067 Uiso calc 1
C C3A 0.6368(4) 0.4614(3) 0.6060(2) 0.0577(8) Uani d 1
H H3A 0.6888 0.5143 0.6696 0.069 Uiso calc 1
C C4A 0.8492(4) 0.5708(3) 0.5479(2) 0.0593(8) Uani d 1
H H4A 0.9090 0.6229 0.6111 0.071 Uiso calc 1
C C5A 0.9019(3) 0.5854(3) 0.4713(2) 0.0579(8) Uani d 1
H H5A 0.9991 0.6459 0.4818 0.069 Uiso calc 1
C C6A 1.0098(3) 0.6003(3) 0.2985(3) 0.0613(9) Uani d 1
H H6A 1.0797 0.6242 0.3612 0.074 Uiso calc 1
C C7A 1.0536(4) 0.6309(4) 0.2168(3) 0.0673(10) Uani d 1
H H7A 1.1531 0.6752 0.2252 0.081 Uiso calc 1
C C8A 0.9530(4) 0.5969(3) 0.1236(3) 0.0588(8) Uani d 1
C C9A 0.8047(4) 0.5308(3) 0.1107(3) 0.0676(10) Uani d 1
H H9A 0.7351 0.5078 0.0480 0.081 Uiso calc 1
C C10A 0.7622(3) 0.4997(3) 0.1929(2) 0.0637(9) Uani d 1
H H10A 0.6625 0.4538 0.1837 0.076 Uiso calc 1
C C11A 0.8598(3) 0.5332(3) 0.2876(2) 0.0493(7) Uani d 1
C C12A 0.8088(3) 0.5083(3) 0.3745(2) 0.0471(7) Uani d 1
C C13A 0.6209(3) 0.3978(3) 0.4352(2) 0.0429(6) Uani d 1
C C14A 0.7029(3) 0.4762(3) 0.5319(2) 0.0482(7) Uani d 1
C C15A 0.9070(4) 0.6131(5) -0.0467(3) 0.0978(15) Uani d 1
H H15A 0.8399 0.5210 -0.0699 0.147 Uiso calc 1
H H15B 0.9588 0.6439 -0.0928 0.147 Uiso calc 1
H H15C 0.8535 0.6593 -0.0419 0.147 Uiso calc 1
C C1B 0.6010(3) 0.1132(3) 0.3711(2) 0.0483(7) Uani d 1
H H1B 0.5567 0.1007 0.4200 0.058 Uiso calc 1
C C2B 0.7346(3) 0.1129(3) 0.3928(2) 0.0500(7) Uani d 1
H H2B 0.7770 0.0991 0.4540 0.060 Uiso calc 1
C C3B 0.8014(3) 0.1330(3) 0.3224(2) 0.0487(7) Uani d 1
H H3B 0.8917 0.1355 0.3356 0.058 Uiso calc 1
C C4B 0.7922(3) 0.1695(3) 0.1523(2) 0.0558(8) Uani d 1
H H4B 0.8826 0.1733 0.1613 0.067 Uiso calc 1
C C5B 0.7186(3) 0.1826(3) 0.0649(2) 0.0570(8) Uani d 1
H H5B 0.7590 0.1976 0.0140 0.068 Uiso calc 1
C C6B 0.5443(3) 0.1976(3) -0.1269(2) 0.0636(9) Uani d 1
H H6B 0.6381 0.2097 -0.1183 0.076 Uiso calc 1
C C7B 0.4603(4) 0.1972(4) -0.2189(3) 0.0713(10) Uani d 1
H H7B 0.4975 0.2084 -0.2714 0.086 Uiso calc 1
C C8B 0.3209(3) 0.1803(3) -0.2333(2) 0.0584(8) Uani d 1
C C9B 0.2666(3) 0.1631(3) -0.1558(2) 0.0611(9) Uani d 1
H H9B 0.1730 0.1516 -0.1647 0.073 Uiso calc 1
C C10B 0.3521(3) 0.1632(3) -0.0643(2) 0.0591(8) Uani d 1
H H10B 0.3141 0.1513 -0.0122 0.071 Uiso calc 1
C C11B 0.4925(3) 0.1803(3) -0.0470(2) 0.0479(7) Uani d 1
C C12B 0.5787(3) 0.1732(3) 0.0506(2) 0.0455(7) Uani d 1
C C13B 0.5956(3) 0.1458(3) 0.2115(2) 0.0399(6) Uani d 1
C C14B 0.7333(3) 0.1501(3) 0.2300(2) 0.0439(7) Uani d 1
C C15B 0.0925(4) 0.1389(4) -0.3513(3) 0.0735(10) Uani d 1
H H15D 0.0427 0.0558 -0.3345 0.110 Uiso calc 1
H H15E 0.0503 0.1321 -0.4212 0.110 Uiso calc 1
H H15F 0.0827 0.2038 -0.3137 0.110 Uiso calc 1
N N1A 0.4788(2) 0.2973(2) 0.41504(17) 0.0444(6) Uani d 1
N N2A 0.6717(2) 0.4155(2) 0.35779(17) 0.0447(6) Uani d 1
N N1B 0.5330(2) 0.1304(2) 0.28494(16) 0.0401(5) Uani d 1
N N2B 0.5205(2) 0.1561(2) 0.12268(17) 0.0432(5) Uani d 1
O O3A 1.0086(3) 0.6354(3) 0.04856(18) 0.0750(7) Uani d 1
O O3B 0.2445(2) 0.1762(3) -0.32803(18) 0.0791(8) Uani d 1
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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_publ_flag
C2 Ru1 C1 90.63(14) y
C2 Ru1 N1B 95.79(10) y
C1 Ru1 N1B 94.98(11) y
C2 Ru1 N1A 91.44(11) y
C1 Ru1 N1A 177.08(11) y
N1B Ru1 N1A 86.86(8) y
C2 Ru1 Cl1 85.94(9) y
C1 Ru1 Cl1 88.88(9) y
N1B Ru1 Cl1 175.75(6) y
N1A Ru1 Cl1 89.23(6) y
C2 Ru1 Cl2 175.65(8) y
C1 Ru1 Cl2 87.83(10) y
N1B Ru1 Cl2 88.40(6) y
N1A Ru1 Cl2 89.96(6) y
Cl1 Ru1 Cl2 89.96(3) y
O1 C1 Ru1 177.3(3) ?
O2 C2 Ru1 172.3(3) ?
N1A C1A C2A 123.8(3) ?
N1A C1A H1A 118.1 ?
C2A C1A H1A 118.1 ?
C3A C2A C1A 120.2(3) ?
C3A C2A H2A 119.9 ?
C1A C2A H2A 119.9 ?
C2A C3A C14A 118.1(3) ?
C2A C3A H3A 121.0 ?
C14A C3A H3A 121.0 ?
C5A C4A C14A 119.7(3) ?
C5A C4A H4A 120.1 ?
C14A C4A H4A 120.1 ?
C4A C5A C12A 119.8(3) ?
C4A C5A H5A 120.1 ?
C12A C5A H5A 120.1 ?
C7A C6A C11A 120.4(3) ?
C7A C6A H6A 119.8 ?
C11A C6A H6A 119.8 ?
C8A C7A C6A 121.0(3) ?
C8A C7A H7A 119.5 ?
C6A C7A H7A 119.5 ?
O3A C8A C7A 116.1(3) ?
O3A C8A C9A 124.1(3) ?
C7A C8A C9A 119.7(3) ?
C10A C9A C8A 118.7(3) ?
C10A C9A H9A 120.7 ?
C8A C9A H9A 120.7 ?
C11A C10A C9A 123.2(3) ?
C11A C10A H10A 118.4 ?
C9A C10A H10A 118.4 ?
C10A C11A C6A 116.9(3) ?
C10A C11A C12A 121.1(3) ?
C6A C11A C12A 121.8(3) ?
N2A C12A C5A 121.7(3) ?
N2A C12A C11A 117.7(3) ?
C5A C12A C11A 120.5(3) ?
N2A C13A N1A 116.4(2) ?
N2A C13A C14A 123.4(3) ?
N1A C13A C14A 120.2(2) ?
C3A C14A C13A 120.0(3) ?
C3A C14A C4A 123.1(3) ?
C13A C14A C4A 116.8(3) ?
O3A C15A H15A 109.5 ?
O3A C15A H15B 109.5 ?
H15A C15A H15B 109.5 ?
O3A C15A H15C 109.5 ?
H15A C15A H15C 109.5 ?
H15B C15A H15C 109.5 ?
N1B C1B C2B 124.1(3) ?
N1B C1B H1B 117.9 ?
C2B C1B H1B 117.9 ?
C3B C2B C1B 118.4(3) ?
C3B C2B H2B 120.8 ?
C1B C2B H2B 120.8 ?
C2B C3B C14B 119.6(3) ?
C2B C3B H3B 120.2 ?
C14B C3B H3B 120.2 ?
C5B C4B C14B 120.3(3) ?
C5B C4B H4B 119.9 ?
C14B C4B H4B 119.9 ?
C4B C5B C12B 119.7(3) ?
C4B C5B H5B 120.2 ?
C12B C5B H5B 120.2 ?
C7B C6B C11B 121.7(3) ?
C7B C6B H6B 119.1 ?
C11B C6B H6B 119.1 ?
C6B C7B C8B 120.1(3) ?
C6B C7B H7B 119.9 ?
C8B C7B H7B 119.9 ?
O3B C8B C9B 124.7(3) ?
O3B C8B C7B 115.6(3) ?
C9B C8B C7B 119.6(3) ?
C8B C9B C10B 119.4(3) ?
C8B C9B H9B 120.3 ?
C10B C9B H9B 120.3 ?
C9B C10B C11B 122.6(3) ?
C9B C10B H10B 118.7 ?
C11B C10B H10B 118.7 ?
C6B C11B C10B 116.5(3) ?
C6B C11B C12B 122.2(3) ?
C10B C11B C12B 121.3(3) ?
N2B C12B C5B 121.6(3) ?
N2B C12B C11B 118.0(2) ?
C5B C12B C11B 120.4(3) ?
N2B C13B N1B 117.3(2) ?
N2B C13B C14B 122.5(2) ?
N1B C13B C14B 120.1(2) ?
C3B C14B C4B 123.8(3) ?
C3B C14B C13B 119.2(3) ?
C4B C14B C13B 116.9(3) ?
O3B C15B H15D 109.5 ?
O3B C15B H15E 109.5 ?
H15D C15B H15E 109.5 ?
O3B C15B H15F 109.5 ?
H15D C15B H15F 109.5 ?
H15E C15B H15F 109.5 ?
C1A N1A C13A 117.4(2) ?
C1A N1A Ru1 117.4(2) ?
C13A N1A Ru1 125.10(18) ?
C12A N2A C13A 118.3(2) ?
C1B N1B C13B 118.4(2) ?
C1B N1B Ru1 117.34(18) ?
C13B N1B Ru1 123.91(18) ?
C12B N2B C13B 119.0(2) ?
C8A O3A C15A 117.3(3) ?
C8B O3B C15B 118.1(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 C2 1.867(3) y
Ru1 C1 1.879(4) y
Ru1 N1B 2.116(2) y
Ru1 N1A 2.175(2) y
Ru1 Cl1 2.4008(8) y
Ru1 Cl2 2.4389(9) y
C1 O1 1.131(4) ?
C2 O2 1.121(4) ?
C1A N1A 1.335(3) ?
C1A C2A 1.387(4) ?
C1A H1A 0.9300 ?
C2A C3A 1.357(4) ?
C2A H2A 0.9300 ?
C3A C14A 1.405(4) ?
C3A H3A 0.9300 ?
C4A C5A 1.348(4) ?
C4A C14A 1.410(4) ?
C4A H4A 0.9300 ?
C5A C12A 1.418(4) ?
C5A H5A 0.9300 ?
C6A C7A 1.381(4) ?
C6A C11A 1.407(4) ?
C6A H6A 0.9300 ?
C7A C8A 1.370(5) ?
C7A H7A 0.9300 ?
C8A O3A 1.369(4) ?
C8A C9A 1.385(4) ?
C9A C10A 1.382(4) ?
C9A H9A 0.9300 ?
C10A C11A 1.373(4) ?
C10A H10A 0.9300 ?
C11A C12A 1.481(4) ?
C12A N2A 1.332(3) ?
C13A N2A 1.347(3) ?
C13A N1A 1.390(3) ?
C13A C14A 1.407(4) ?
C15A O3A 1.420(4) ?
C15A H15A 0.9600 ?
C15A H15B 0.9600 ?
C15A H15C 0.9600 ?
C1B N1B 1.329(3) ?
C1B C2B 1.395(4) ?
C1B H1B 0.9300 ?
C2B C3B 1.359(4) ?
C2B H2B 0.9300 ?
C3B C14B 1.400(4) ?
C3B H3B 0.9300 ?
C4B C5B 1.345(4) ?
C4B C14B 1.401(4) ?
C4B H4B 0.9300 ?
C5B C12B 1.422(4) ?
C5B H5B 0.9300 ?
C6B C7B 1.378(4) ?
C6B C11B 1.386(4) ?
C6B H6B 0.9300 ?
C7B C8B 1.384(4) ?
C7B H7B 0.9300 ?
C8B O3B 1.366(4) ?
C8B C9B 1.369(4) ?
C9B C10B 1.380(4) ?
C9B H9B 0.9300 ?
C10B C11B 1.388(4) ?
C10B H10B 0.9300 ?
C11B C12B 1.482(4) ?
C12B N2B 1.322(3) ?
C13B N2B 1.352(3) ?
C13B N1B 1.371(3) ?
C13B C14B 1.417(4) ?
C15B O3B 1.430(4) ?
C15B H15D 0.9600 ?
C15B H15E 0.9600 ?
C15B H15F 0.9600 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
N1A C1A C2A C3A -4.0(5) ?
C1A C2A C3A C14A 2.9(5) ?
C14A C4A C5A C12A 1.9(5) ?
C11A C6A C7A C8A 0.0(6) ?
C6A C7A C8A O3A 178.2(3) ?
C6A C7A C8A C9A 0.0(6) ?
O3A C8A C9A C10A -178.6(3) ?
C7A C8A C9A C10A -0.5(5) ?
C8A C9A C10A C11A 1.2(6) ?
C9A C10A C11A C6A -1.2(5) ?
C9A C10A C11A C12A 174.4(3) ?
C7A C6A C11A C10A 0.6(5) ?
C7A C6A C11A C12A -175.0(3) ?
C4A C5A C12A N2A -4.0(5) ?
C4A C5A C12A C11A 173.1(3) ?
C10A C11A C12A N2A 22.8(4) y
C6A C11A C12A N2A -161.9(3) y
C10A C11A C12A C5A -154.4(3) y
C6A C11A C12A C5A 20.9(4) y
C2A C3A C14A C13A 2.0(4) ?
C2A C3A C14A C4A 179.5(3) ?
N2A C13A C14A C3A 172.7(3) ?
N1A C13A C14A C3A -6.1(4) ?
N2A C13A C14A C4A -5.0(4) ?
N1A C13A C14A C4A 176.2(3) ?
C5A C4A C14A C3A -175.3(3) ?
C5A C4A C14A C13A 2.3(5) ?
N1B C1B C2B C3B 1.0(5) ?
C1B C2B C3B C14B -1.6(4) ?
C14B C4B C5B C12B -1.6(5) ?
C11B C6B C7B C8B 0.5(6) ?
C6B C7B C8B O3B -177.5(3) ?
C6B C7B C8B C9B -0.4(6) ?
O3B C8B C9B C10B 176.9(3) ?
C7B C8B C9B C10B 0.1(6) ?
C8B C9B C10B C11B 0.1(6) ?
C7B C6B C11B C10B -0.3(5) ?
C7B C6B C11B C12B 176.6(3) ?
C9B C10B C11B C6B 0.0(5) ?
C9B C10B C11B C12B -176.9(3) ?
C4B C5B C12B N2B 2.3(5) ?
C4B C5B C12B C11B -176.7(3) ?
C6B C11B C12B N2B -179.8(3) y
C10B C11B C12B N2B -3.1(4) y
C6B C11B C12B C5B -0.8(5) y
C10B C11B C12B C5B 175.9(3) y
C2B C3B C14B C4B -179.0(3) ?
C2B C3B C14B C13B -0.1(4) ?
C5B C4B C14B C3B 178.7(3) ?
C5B C4B C14B C13B -0.3(5) ?
N2B C13B C14B C3B -177.2(3) ?
N1B C13B C14B C3B 2.6(4) ?
N2B C13B C14B C4B 1.8(4) ?
N1B C13B C14B C4B -178.4(3) ?
C2A C1A N1A C13A -0.1(4) ?
C2A C1A N1A Ru1 177.4(2) ?
N2A C13A N1A C1A -173.8(2) ?
C14A C13A N1A C1A 5.1(4) ?
N2A C13A N1A Ru1 8.8(3) ?
C14A C13A N1A Ru1 -172.28(19) ?
C5A C12A N2A C13A 1.4(4) ?
C11A C12A N2A C13A -175.7(2) ?
N1A C13A N2A C12A -178.1(2) ?
C14A C13A N2A C12A 3.1(4) ?
C2B C1B N1B C13B 1.5(4) ?
C2B C1B N1B Ru1 -172.0(2) ?
N2B C13B N1B C1B 176.5(2) ?
C14B C13B N1B C1B -3.3(4) ?
N2B C13B N1B Ru1 -10.4(3) ?
C14B C13B N1B Ru1 169.78(19) ?
C5B C12B N2B C13B -0.8(4) ?
C11B C12B N2B C13B 178.3(2) ?
N1B C13B N2B C12B 178.9(2) ?
C14B C13B N2B C12B -1.3(4) ?
C7A C8A O3A C15A -173.9(4) ?
C9A C8A O3A C15A 4.3(5) ?
C9B C8B O3B C15B -6.4(5) ?
C7B C8B O3B C15B 170.5(3) ?

_cod_database_fobs_code 2021322
