#------------------------------------------------------------------------------
#$Date: 2021-06-11 04:02:11 +0300 (Fri, 11 Jun 2021) $
#$Revision: 266372 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/33/1563323.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_1563323
loop_
_publ_author_name
'Infante-Tadeo, Sonia'
'Rodriguez, Vanessa'
'Habtemariam, Abraha'
'Pizarro, Ana M.'
_publ_section_title
;
 Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous
 Speciation and Transfer Hydrogenation in Cells
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D1SC01939B
_journal_year                    2021
_chemical_absolute_configuration ad
_chemical_formula_sum            'C16 H18 Cl N O3.25 Os'
_chemical_formula_weight         501.96
_chemical_name_common            SIT_105_150K
_space_group_crystal_system      trigonal
_space_group_IT_number           152
_space_group_name_Hall           'P 31 2"'
_space_group_name_H-M_alt        'P 31 2 1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2020-09-02 deposited with the CCDC.	2021-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   12.3794(4)
_cell_length_b                   12.3794(4)
_cell_length_c                   17.8331(6)
_cell_measurement_reflns_used    8402
_cell_measurement_temperature    150.(2)
_cell_measurement_theta_max      24.8210
_cell_measurement_theta_min      2.2165
_cell_volume                     2366.77(13)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection       'Bruker Instrument Service v2010.9.0.0'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Kappa Apex II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0587
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27375
_diffrn_reflns_theta_full        25.32
_diffrn_reflns_theta_max         25.32
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    8.264
_exptl_absorpt_correction_T_max  0.56
_exptl_absorpt_correction_T_min  0.30
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'clear intense yellow'
_exptl_crystal_density_diffrn    2.113
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.465
_exptl_crystal_size_mid          0.123
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.987
_refine_diff_density_min         -1.076
_refine_ls_abs_structure_details
;

Flack x determined using 1076 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.014(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     155
_refine_ls_number_reflns         2888
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0712P)²+4.7048P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0992
_refine_ls_wR_factor_ref         0.1032
_reflns_number_gt                2695
_reflns_number_total             2888
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1sc01939b2.cif
_cod_data_source_block           10_02620
_cod_original_cell_volume        2366.77(17)
_cod_database_code               1563323
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'y, x, -z'
'x-y, -y, -z+2/3'
'-x, -x+y, -z+1/3'
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_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 1.0055(13) 0.5948(15) 0.5302(8) 0.040(4) Uani d . . . 1.0 . .
H H1 1.079 0.6358 0.5597 0.048 Uiso calc U . R 1.0 A 2
C C2 0.9462(15) 0.4674(15) 0.5197(8) 0.039(3) Uani d . . . 1.0 . .
H H2 0.9777 0.4211 0.5448 0.047 Uiso calc U . R 1.0 B 2
C C3 0.8420(15) 0.4042(16) 0.4737(7) 0.0382(10) Uani d . . . 1.0 . .
H H3 0.8082 0.3182 0.4627 0.046 Uiso calc U . R 1.0 C 2
C C4 0.7879(15) 0.4722(14) 0.4440(7) 0.0382(10) Uani d . . . 1.0 . .
H H4 0.7105 0.4283 0.4184 0.046 Uiso calc U . R 1.0 D 2
C C5 0.8452(15) 0.6033(15) 0.4511(7) 0.0382(10) Uani d . . . 1.0 . .
H H5 0.8125 0.6495 0.4271 0.046 Uiso calc U . R 1.0 E 2
C C6 0.9563(14) 0.6628(14) 0.4969(7) 0.0382(10) Uani d . . D 1.0 . .
C C7 1.0212(16) 0.8035(14) 0.5077(8) 0.051(4) Uani d . . D 1.0 . .
H H7A 1.0666 0.8277 0.556 0.061 Uiso calc U . R 1.0 . .
H H7B 0.9597 0.8324 0.5073 0.061 Uiso calc U . R 1.0 . .
C C8 1.1150(18) 0.8620(15) 0.4401(9) 0.058(5) Uani d . . D 1.0 . .
H H8A 1.1713 0.8269 0.4379 0.069 Uiso calc U . R 1.0 . .
H H8B 1.0687 0.8435 0.3921 0.069 Uiso calc U . R 1.0 . .
C C9 1.190(3) 1.0031(18) 0.453(2) 0.109(9) Uani d U . D 1.0 . .
H H9A 1.2155 1.0167 0.5064 0.131 Uiso calc U P R 0.73(3) F 1
H H9B 1.2676 1.036 0.423 0.131 Uiso calc U P R 0.73(3) F 1
H H9C 1.1339 1.0382 0.4545 0.131 Uiso calc U P R 0.27(3) F 2
H H9D 1.2353 1.0214 0.5014 0.131 Uiso calc U P R 0.27(3) F 2
C C10 0.7247(19) 0.6490(18) 0.6511(8) 0.050(5) Uani d . . . 1.0 . .
C C11 0.6056(15) 0.5393(15) 0.6238(7) 0.0382(10) Uani d . . . 1.0 . .
C C12 0.4859(14) 0.5203(16) 0.6418(7) 0.0382(10) Uani d . . . 1.0 . .
H H12 0.4776 0.5821 0.6685 0.046 Uiso calc U . R 1.0 . .
C C13 0.3879(15) 0.4176(16) 0.6215(7) 0.0382(10) Uani d . . . 1.0 . .
H H13 0.3073 0.405 0.6323 0.046 Uiso calc U . R 1.0 . .
C C14 0.3998(15) 0.3248(15) 0.5836(7) 0.0382(10) Uani d . . . 1.0 . .
H H14 0.3279 0.2487 0.5697 0.046 Uiso calc U . R 1.0 . .
C C15 0.5172(14) 0.3456(15) 0.5670(7) 0.0382(10) Uani d . . . 1.0 . .
C C16 0.5286(15) 0.2444(15) 0.5285(8) 0.040(3) Uani d . . . 1.0 . .
H H16A 0.5219 0.2513 0.4742 0.06 Uiso calc U . R 1.0 . .
H H16B 0.4617 0.163 0.5456 0.06 Uiso calc U . R 1.0 . .
H H16C 0.6096 0.2526 0.5405 0.06 Uiso calc U . R 1.0 . .
Cl Cl1 0.7853(3) 0.3777(4) 0.66664(16) 0.0376(8) Uani d . . . 1.0 . .
N N1 0.6202(12) 0.4546(13) 0.5837(6) 0.0382(10) Uani d . . . 1.0 . .
O O1A 1.139(3) 1.072(3) 0.438(2) 0.156(12) Uani d U P D 0.73(3) F 1
H H1OA 1.1184 1.0631 0.3925 0.187 Uiso calc U P R 0.73(3) F 1
O O1B 1.269(8) 1.052(7) 0.398(5) 0.156(12) Uani d U P D 0.27(3) F 2
H H1OB 1.2299 1.0377 0.3574 0.187 Uiso calc U P R 0.27(3) F 2
O O2 0.8244(12) 0.6417(11) 0.6386(6) 0.053(3) Uani d . . . 1.0 G 2
O O3 0.7199(17) 0.7319(16) 0.6842(10) 0.093(6) Uani d . . . 1.0 H 2
Os Os1 0.81142(5) 0.51074(5) 0.56246(3) 0.02946(19) Uani d . . . 1.0 G 2
O O4W 0.955(3) 0 0.3333 0.097(18) Uani d T P S 0.5 I 3
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'
Os Os -1.2165 7.6030 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C6 . . 119.3(13) ?
C2 C1 Os1 . . 70.0(8) ?
C6 C1 Os1 . . 71.9(9) ?
C2 C1 H1 . . 120.3 ?
C6 C1 H1 . . 120.3 ?
Os1 C1 H1 . . 130.2 ?
C1 C2 C3 . . 122.3(15) ?
C1 C2 Os1 . . 72.5(9) ?
C3 C2 Os1 . . 74.3(9) ?
C1 C2 H2 . . 118.8 ?
C3 C2 H2 . . 118.8 ?
Os1 C2 H2 . . 126.3 ?
C2 C3 C4 . . 117.9(15) ?
C2 C3 Os1 . . 68.3(8) ?
C4 C3 Os1 . . 68.9(8) ?
C2 C3 H3 . . 121.1 ?
C4 C3 H3 . . 121.1 ?
Os1 C3 H3 . . 135.0 ?
C3 C4 C5 . . 122.3(14) ?
C3 C4 Os1 . . 73.3(8) ?
C5 C4 Os1 . . 74.0(8) ?
C3 C4 H4 . . 118.8 ?
C5 C4 H4 . . 118.8 ?
Os1 C4 H4 . . 125.8 ?
C4 C5 C6 . . 115.9(13) ?
C4 C5 Os1 . . 68.4(7) ?
C6 C5 Os1 . . 69.1(7) ?
C4 C5 H5 . . 122.0 ?
C6 C5 H5 . . 122.0 ?
Os1 C5 H5 . . 133.1 ?
C1 C6 C5 . . 121.7(14) ?
C1 C6 C7 . . 119.8(13) ?
C5 C6 C7 . . 118.5(13) ?
C1 C6 Os1 . . 70.7(8) ?
C5 C6 Os1 . . 72.6(8) ?
C7 C6 Os1 . . 131.0(10) ?
C6 C7 C8 . . 105.9(12) ?
C6 C7 H7A . . 110.6 ?
C8 C7 H7A . . 110.6 ?
C6 C7 H7B . . 110.6 ?
C8 C7 H7B . . 110.6 ?
H7A C7 H7B . . 108.7 ?
C9 C8 C7 . . 107.3(19) ?
C9 C8 H8A . . 110.3 ?
C7 C8 H8A . . 110.3 ?
C9 C8 H8B . . 110.3 ?
C7 C8 H8B . . 110.3 ?
H8A C8 H8B . . 108.5 ?
O1B C9 C8 . . 108.(5) ?
O1A C9 C8 . . 119.(3) ?
O1A C9 H9A . . 107.5 ?
C8 C9 H9A . . 107.5 ?
O1A C9 H9B . . 107.5 ?
C8 C9 H9B . . 107.5 ?
H9A C9 H9B . . 107.0 ?
O1B C9 H9C . . 110.2 ?
C8 C9 H9C . . 110.2 ?
O1B C9 H9D . . 110.2 ?
C8 C9 H9D . . 110.2 ?
H9C C9 H9D . . 108.5 ?
O3 C10 O2 . . 126.4(19) ?
O3 C10 C11 . . 118.8(17) ?
O2 C10 C11 . . 114.7(14) ?
N1 C11 C12 . . 121.6(15) ?
N1 C11 C10 . . 114.9(14) ?
C12 C11 C10 . . 123.4(14) ?
C13 C12 C11 . . 119.3(15) ?
C13 C12 H12 . . 120.4 ?
C11 C12 H12 . . 120.4 ?
C12 C13 C14 . . 120.5(15) ?
C12 C13 H13 . . 119.7 ?
C14 C13 H13 . . 119.7 ?
C15 C14 C13 . . 119.0(16) ?
C15 C14 H14 . . 120.5 ?
C13 C14 H14 . . 120.5 ?
N1 C15 C14 . . 121.5(14) ?
N1 C15 C16 . . 120.2(13) ?
C14 C15 C16 . . 118.4(15) ?
C15 C16 H16A . . 109.5 ?
C15 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
C15 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C15 N1 C11 . . 117.8(13) ?
C15 N1 Os1 . . 128.7(10) ?
C11 N1 Os1 . . 113.3(11) ?
C9 O1A H1OA . . 109.5 ?
C9 O1B H1OB . . 109.5 ?
C10 O2 Os1 . . 117.7(10) ?
O2 Os1 C2 . . 132.1(6) ?
O2 Os1 N1 . . 77.1(5) ?
C2 Os1 N1 . . 149.2(6) ?
O2 Os1 C4 . . 140.4(5) ?
C2 Os1 C4 . . 68.3(6) ?
N1 Os1 C4 . . 95.6(5) ?
O2 Os1 C1 . . 99.5(6) ?
C2 Os1 C1 . . 37.4(6) ?
N1 Os1 C1 . . 169.8(5) ?
C4 Os1 C1 . . 80.8(6) ?
O2 Os1 C6 . . 88.1(5) ?
C2 Os1 C6 . . 67.4(6) ?
N1 Os1 C6 . . 132.4(5) ?
C4 Os1 C6 . . 68.1(5) ?
C1 Os1 C6 . . 37.4(6) ?
O2 Os1 C3 . . 166.6(6) ?
C2 Os1 C3 . . 37.4(6) ?
N1 Os1 C3 . . 115.1(5) ?
C4 Os1 C3 . . 37.8(5) ?
C1 Os1 C3 . . 67.4(6) ?
C6 Os1 C3 . . 79.6(6) ?
O2 Os1 C5 . . 105.2(5) ?
C2 Os1 C5 . . 80.9(6) ?
N1 Os1 C5 . . 102.6(5) ?
C4 Os1 C5 . . 37.7(6) ?
C1 Os1 C5 . . 68.7(5) ?
C6 Os1 C5 . . 38.3(5) ?
C3 Os1 C5 . . 67.9(6) ?
O2 Os1 Cl1 . . 87.7(3) ?
C2 Os1 Cl1 . . 87.6(4) ?
N1 Os1 Cl1 . . 83.8(3) ?
C4 Os1 Cl1 . . 130.7(4) ?
C1 Os1 Cl1 . . 105.8(4) ?
C6 Os1 Cl1 . . 141.3(4) ?
C3 Os1 Cl1 . . 98.6(4) ?
C5 Os1 Cl1 . . 166.5(4) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.38(2) ?
C1 C6 . 1.39(2) ?
C1 Os1 . 2.165(14) ?
C1 H1 . 0.95 ?
C2 C3 . 1.39(2) ?
C2 Os1 . 2.133(14) ?
C2 H2 . 0.95 ?
C3 C4 . 1.41(2) ?
C3 Os1 . 2.210(15) ?
C3 H3 . 0.95 ?
C4 C5 . 1.42(2) ?
C4 Os1 . 2.153(13) ?
C4 H4 . 0.95 ?
C5 C6 . 1.45(2) ?
C5 Os1 . 2.226(13) ?
C5 H5 . 0.95 ?
C6 C7 . 1.523(18) ?
C6 Os1 . 2.180(14) ?
C7 C8 . 1.577(18) ?
C7 H7A . 0.99 ?
C7 H7B . 0.99 ?
C8 C9 . 1.53(2) ?
C8 H8A . 0.99 ?
C8 H8B . 0.99 ?
C9 O1B . 1.30(3) ?
C9 O1A . 1.31(2) ?
C9 H9A . 0.99 ?
C9 H9B . 0.99 ?
C9 H9C . 0.99 ?
C9 H9D . 0.99 ?
C10 O3 . 1.21(2) ?
C10 O2 . 1.30(2) ?
C10 C11 . 1.50(3) ?
C11 N1 . 1.35(2) ?
C11 C12 . 1.42(2) ?
C12 C13 . 1.29(2) ?
C12 H12 . 0.95 ?
C13 C14 . 1.40(2) ?
C13 H13 . 0.95 ?
C14 C15 . 1.38(2) ?
C14 H14 . 0.95 ?
C15 N1 . 1.35(2) ?
C15 C16 . 1.50(2) ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
Cl1 Os1 . 2.395(3) ?
N1 Os1 . 2.141(13) ?
O1A H1OA . 0.84 ?
O1B H1OB . 0.84 ?
O2 Os1 . 2.057(10) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C16 H16C Cl1 . 0.98 2.97 3.694(16) 131.6 ?
C16 H16A Cl1 3_664 0.98 2.77 3.629(14) 146.7 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C6 C1 C2 C3 . . . . 3.(2) ?
Os1 C1 C2 C3 . . . . 57.7(13) ?
C6 C1 C2 Os1 . . . . -54.3(12) ?
C1 C2 C3 C4 . . . . -7.(2) ?
Os1 C2 C3 C4 . . . . 49.6(12) ?
C1 C2 C3 Os1 . . . . -56.8(13) ?
C2 C3 C4 C5 . . . . 9.(2) ?
Os1 C3 C4 C5 . . . . 57.9(11) ?
C2 C3 C4 Os1 . . . . -49.3(11) ?
C3 C4 C5 C6 . . . . -5.8(19) ?
Os1 C4 C5 C6 . . . . 51.7(10) ?
C3 C4 C5 Os1 . . . . -57.6(11) ?
C2 C1 C6 C5 . . . . -1.(2) ?
Os1 C1 C6 C5 . . . . -54.0(12) ?
C2 C1 C6 C7 . . . . -179.7(13) ?
Os1 C1 C6 C7 . . . . 126.9(12) ?
C2 C1 C6 Os1 . . . . 53.4(12) ?
C4 C5 C6 C1 . . . . 1.7(19) ?
Os1 C5 C6 C1 . . . . 53.1(12) ?
C4 C5 C6 C7 . . . . -179.1(12) ?
Os1 C5 C6 C7 . . . . -127.7(12) ?
C4 C5 C6 Os1 . . . . -51.4(10) ?
C1 C6 C7 C8 . . . . 91.6(16) ?
C5 C6 C7 C8 . . . . -87.6(17) ?
Os1 C6 C7 C8 . . . . -178.8(11) ?
C6 C7 C8 C9 . . . . -175.0(17) ?
C7 C8 C9 O1B . . . . 179.(5) ?
C7 C8 C9 O1A . . . . -78.(4) ?
O3 C10 C11 N1 . . . . 176.4(16) ?
O2 C10 C11 N1 . . . . -6.2(19) ?
O3 C10 C11 C12 . . . . -7.(2) ?
O2 C10 C11 C12 . . . . 170.2(14) ?
N1 C11 C12 C13 . . . . 2.(2) ?
C10 C11 C12 C13 . . . . -173.9(13) ?
C11 C12 C13 C14 . . . . 2.(2) ?
C12 C13 C14 C15 . . . . -1.(2) ?
C13 C14 C15 N1 . . . . -3.(2) ?
C13 C14 C15 C16 . . . . 178.4(12) ?
C14 C15 N1 C11 . . . . 6.1(19) ?
C16 C15 N1 C11 . . . . -174.9(12) ?
C14 C15 N1 Os1 . . . . -179.0(9) ?
C16 C15 N1 Os1 . . . . 0.1(18) ?
C12 C11 N1 C15 . . . . -5.9(19) ?
C10 C11 N1 C15 . . . . 170.5(12) ?
C12 C11 N1 Os1 . . . . 178.3(10) ?
C10 C11 N1 Os1 . . . . -5.3(14) ?
O3 C10 O2 Os1 . . . . -167.4(16) ?
C11 C10 O2 Os1 . . . . 15.4(17) ?
