# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_1ClO4
_database_code_depnum_ccdc_archive 'CCDC 1430164'
_audit_update_record             
;
2015-12-16 deposited with the CCDC.
2015-12-17 downloaded from the CCDC.
;
_audit_creation_date             2015-12-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_shelxl_version_number           2012-9
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C23 H20 Cl N6 Os, Cl O4'
_chemical_formula_sum            'C23 H20 Cl2 N6 O4 Os'
_chemical_formula_weight         705.55
_chemical_melting_point          ?
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'
Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   26.520(8)
_cell_length_b                   13.627(4)
_cell_length_c                   13.432(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4854(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    8435
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.2
_cell_measurement_theta_min      3.1
_shelx_estimated_absorpt_T_max   0.405
_shelx_estimated_absorpt_T_min   0.405
_exptl_absorpt_coefficient_mu    5.518
_exptl_absorpt_correction_T_max  0.4049
_exptl_absorpt_correction_T_min  0.4049
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.931
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2736
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0686
_diffrn_reflns_av_unetI/netI     0.0547
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20518
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.242
_diffrn_reflns_theta_min         3.073
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   'fine-focus sealed tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3910
_reflns_number_total             4253
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b28'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b28'
_computing_molecular_graphics    ORTEP
_computing_publication_material  ORTEP
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.949
_refine_diff_density_min         -0.945
_refine_diff_density_rms         0.161
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.246
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4253
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0582
_refine_ls_restrained_S_all      1.246
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+45.0330P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0904
_refine_ls_wR_factor_ref         0.0931
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N2(H2), C1(H1), C14(H14), C2(H2A), C12(H12), C4(H4), C3(H3), C23(H23),
 C22(H22), C20(H20), C7(H7), C11(H11), C10(H10), C6(H6), C13(H13), C15(H15),
 C5(H5), C17(H17), C21(H21), C16(H16)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.65719(2) 0.43214(2) 0.56326(2) 0.01470(11) Uani 1 1 d . . . . .
Cl1 Cl 0.68984(8) 0.59735(15) 0.54111(15) 0.0191(5) Uani 1 1 d . . . . .
Cl2 Cl 0.55128(8) 0.80090(16) 0.55256(17) 0.0235(5) Uani 1 1 d . . . . .
N3 N 0.6134(3) 0.4646(5) 0.6856(5) 0.0167(16) Uani 1 1 d . . . . .
N1 N 0.5939(3) 0.4680(5) 0.4758(5) 0.0192(17) Uani 1 1 d . . . . .
N6 N 0.7023(3) 0.3913(5) 0.4470(5) 0.0169(16) Uani 1 1 d . . . . .
N5 N 0.7230(3) 0.4016(5) 0.6363(5) 0.0188(17) Uani 1 1 d . . . . .
N4 N 0.6271(3) 0.2992(5) 0.5944(5) 0.0196(17) Uani 1 1 d . . . . .
O1 O 0.5928(2) 0.7643(5) 0.4920(5) 0.0297(16) Uani 1 1 d . . . . .
N2 N 0.5851(3) 0.5597(5) 0.4438(5) 0.0208(17) Uani 1 1 d . . . . .
H2 H 0.6043 0.6105 0.4577 0.025 Uiso 1 1 calc R . . . .
O3 O 0.5057(2) 0.8031(5) 0.4937(5) 0.0360(18) Uani 1 1 d . . . . .
C1 C 0.5567(3) 0.4133(6) 0.4386(6) 0.0199(19) Uani 1 1 d . . . . .
H1 H 0.5532 0.3447 0.4487 0.024 Uiso 1 1 calc R . . . .
C14 C 0.7300(3) 0.4042(6) 0.7348(6) 0.021(2) Uani 1 1 d . . . . .
H14 H 0.7017 0.4138 0.7769 0.025 Uiso 1 1 calc R . . . .
C18 C 0.7645(3) 0.3825(6) 0.5758(7) 0.020(2) Uani 1 1 d . . . . .
C8 C 0.5872(4) 0.3881(7) 0.7265(6) 0.024(2) Uani 1 1 d . . . . .
C2 C 0.5236(3) 0.4711(7) 0.3824(7) 0.025(2) Uani 1 1 d . . . . .
H2A H 0.4941 0.4502 0.3483 0.030 Uiso 1 1 calc R . . . .
O4 O 0.5631(2) 0.8976(5) 0.5866(5) 0.0327(17) Uani 1 1 d . . . . .
C19 C 0.7521(3) 0.3770(7) 0.4693(6) 0.022(2) Uani 1 1 d . . . . .
C12 C 0.6155(4) 0.1252(7) 0.5727(7) 0.028(2) Uani 1 1 d . . . . .
H12 H 0.6228 0.0676 0.5355 0.034 Uiso 1 1 calc R . . . .
C4 C 0.6068(3) 0.5550(7) 0.7251(6) 0.019(2) Uani 1 1 d . . . . .
H4 H 0.6232 0.6091 0.6945 0.023 Uiso 1 1 calc R . . . .
C3 C 0.5429(3) 0.5641(8) 0.3873(7) 0.031(2) Uani 1 1 d . . . . .
H3 H 0.5292 0.6211 0.3568 0.037 Uiso 1 1 calc R . . . .
C23 C 0.6880(4) 0.3813(7) 0.3511(6) 0.025(2) Uani 1 1 d . . . . .
H23 H 0.6535 0.3900 0.3347 0.030 Uiso 1 1 calc R . . . .
C9 C 0.5949(3) 0.2943(7) 0.6759(6) 0.020(2) Uani 1 1 d . . . . .
C22 C 0.7217(4) 0.3590(7) 0.2754(6) 0.028(2) Uani 1 1 d . . . . .
H22 H 0.7102 0.3520 0.2088 0.034 Uiso 1 1 calc R . . . .
O2 O 0.5440(3) 0.7385(5) 0.6371(5) 0.043(2) Uani 1 1 d . . . . .
C20 C 0.7876(4) 0.3534(7) 0.3951(7) 0.030(2) Uani 1 1 d . . . . .
H20 H 0.8219 0.3419 0.4119 0.035 Uiso 1 1 calc R . . . .
C7 C 0.5570(3) 0.4008(7) 0.8116(6) 0.026(2) Uani 1 1 d . . . . .
H7 H 0.5399 0.3465 0.8403 0.031 Uiso 1 1 calc R . . . .
C11 C 0.5827(3) 0.1202(7) 0.6516(6) 0.024(2) Uani 1 1 d . . . . .
H11 H 0.5680 0.0596 0.6710 0.028 Uiso 1 1 calc R . . . .
C10 C 0.5719(3) 0.2061(6) 0.7020(6) 0.022(2) Uani 1 1 d . . . . .
H10 H 0.5483 0.2050 0.7553 0.027 Uiso 1 1 calc R . . . .
C6 C 0.5526(3) 0.4924(7) 0.8526(6) 0.026(2) Uani 1 1 d . . . . .
H6 H 0.5331 0.5018 0.9110 0.031 Uiso 1 1 calc R . . . .
C13 C 0.6382(3) 0.2130(6) 0.5467(7) 0.025(2) Uani 1 1 d . . . . .
H13 H 0.6621 0.2136 0.4941 0.030 Uiso 1 1 calc R . . . .
C15 C 0.7780(4) 0.3930(6) 0.7783(7) 0.026(2) Uani 1 1 d . . . . .
H15 H 0.7822 0.3956 0.8485 0.032 Uiso 1 1 calc R . . . .
C5 C 0.5771(3) 0.5722(7) 0.8080(6) 0.024(2) Uani 1 1 d . . . . .
H5 H 0.5735 0.6366 0.8341 0.029 Uiso 1 1 calc R . . . .
C17 C 0.8121(4) 0.3717(7) 0.6158(7) 0.028(2) Uani 1 1 d . . . . .
H17 H 0.8402 0.3598 0.5736 0.034 Uiso 1 1 calc R . . . .
C21 C 0.7718(4) 0.3473(7) 0.2977(7) 0.027(2) Uani 1 1 d . . . . .
H21 H 0.7955 0.3351 0.2461 0.032 Uiso 1 1 calc R . . . .
C16 C 0.8186(4) 0.3782(7) 0.7162(7) 0.031(2) Uani 1 1 d . . . . .
H16 H 0.8515 0.3725 0.7436 0.037 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Os1 Cl1 2.430(2) . ?
Os1 N3 2.060(7) . ?
Os1 N1 2.106(7) . ?
Os1 N6 2.045(7) . ?
Os1 N5 2.044(7) . ?
Os1 N4 2.024(7) . ?
Cl2 O1 1.456(7) . ?
Cl2 O3 1.444(6) . ?
Cl2 O4 1.429(7) . ?
Cl2 O2 1.432(7) . ?
N3 C8 1.369(11) . ?
N3 C4 1.353(11) . ?
N1 N2 1.342(9) . ?
N1 C1 1.333(10) . ?
N6 C19 1.369(11) . ?
N6 C23 1.349(10) . ?
N5 C14 1.336(10) . ?
N5 C18 1.393(11) . ?
N4 C9 1.390(11) . ?
N4 C13 1.369(11) . ?
N2 H2 0.8800 . ?
N2 C3 1.353(10) . ?
C1 H1 0.9500 . ?
C1 C2 1.401(12) . ?
C14 H14 0.9500 . ?
C14 C15 1.408(12) . ?
C18 C19 1.470(12) . ?
C18 C17 1.381(12) . ?
C8 C9 1.462(12) . ?
C8 C7 1.406(12) . ?
C2 H2A 0.9500 . ?
C2 C3 1.368(13) . ?
C19 C20 1.408(12) . ?
C12 H12 0.9500 . ?
C12 C11 1.373(13) . ?
C12 C13 1.384(12) . ?
C4 H4 0.9500 . ?
C4 C5 1.383(11) . ?
C3 H3 0.9500 . ?
C23 H23 0.9500 . ?
C23 C22 1.386(12) . ?
C9 C10 1.392(12) . ?
C22 H22 0.9500 . ?
C22 C21 1.371(13) . ?
C20 H20 0.9500 . ?
C20 C21 1.376(13) . ?
C7 H7 0.9500 . ?
C7 C6 1.369(13) . ?
C11 H11 0.9500 . ?
C11 C10 1.383(12) . ?
C10 H10 0.9500 . ?
C6 H6 0.9500 . ?
C6 C5 1.401(13) . ?
C13 H13 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.379(13) . ?
C5 H5 0.9500 . ?
C17 H17 0.9500 . ?
C17 C16 1.362(13) . ?
C21 H21 0.9500 . ?
C16 H16 0.9500 . ?

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
N3 Os1 Cl1 95.7(2) . . ?
N3 Os1 N1 86.9(3) . . ?
N1 Os1 Cl1 90.0(2) . . ?
N6 Os1 Cl1 87.1(2) . . ?
N6 Os1 N3 176.0(3) . . ?
N6 Os1 N1 95.9(3) . . ?
N5 Os1 Cl1 86.7(2) . . ?
N5 Os1 N3 98.2(3) . . ?
N5 Os1 N1 174.2(3) . . ?
N5 Os1 N6 79.2(3) . . ?
N4 Os1 Cl1 174.4(2) . . ?
N4 Os1 N3 78.7(3) . . ?
N4 Os1 N1 90.5(3) . . ?
N4 Os1 N6 98.4(3) . . ?
N4 Os1 N5 93.2(3) . . ?
O3 Cl2 O1 109.5(4) . . ?
O4 Cl2 O1 109.2(4) . . ?
O4 Cl2 O3 109.8(4) . . ?
O4 Cl2 O2 108.9(4) . . ?
O2 Cl2 O1 110.0(4) . . ?
O2 Cl2 O3 109.4(4) . . ?
C8 N3 Os1 116.3(6) . . ?
C4 N3 Os1 125.6(6) . . ?
C4 N3 C8 118.0(7) . . ?
N2 N1 Os1 122.3(5) . . ?
C1 N1 Os1 132.0(6) . . ?
C1 N1 N2 105.7(7) . . ?
C19 N6 Os1 115.9(5) . . ?
C23 N6 Os1 126.3(6) . . ?
C23 N6 C19 117.8(8) . . ?
C14 N5 Os1 126.1(6) . . ?
C14 N5 C18 118.1(7) . . ?
C18 N5 Os1 115.6(5) . . ?
C9 N4 Os1 116.6(6) . . ?
C13 N4 Os1 125.9(6) . . ?
C13 N4 C9 117.3(8) . . ?
N1 N2 H2 124.3 . . ?
N1 N2 C3 111.5(7) . . ?
C3 N2 H2 124.3 . . ?
N1 C1 H1 124.7 . . ?
N1 C1 C2 110.6(8) . . ?
C2 C1 H1 124.7 . . ?
N5 C14 H14 118.8 . . ?
N5 C14 C15 122.4(8) . . ?
C15 C14 H14 118.8 . . ?
N5 C18 C19 113.7(7) . . ?
C17 C18 N5 121.1(8) . . ?
C17 C18 C19 125.2(8) . . ?
N3 C8 C9 114.1(8) . . ?
N3 C8 C7 121.5(8) . . ?
C7 C8 C9 124.4(9) . . ?
C1 C2 H2A 127.5 . . ?
C3 C2 C1 105.1(8) . . ?
C3 C2 H2A 127.5 . . ?
N6 C19 C18 114.9(7) . . ?
N6 C19 C20 121.5(8) . . ?
C20 C19 C18 123.5(8) . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.8(9) . . ?
C13 C12 H12 119.6 . . ?
N3 C4 H4 118.5 . . ?
N3 C4 C5 122.9(8) . . ?
C5 C4 H4 118.5 . . ?
N2 C3 C2 107.2(9) . . ?
N2 C3 H3 126.4 . . ?
C2 C3 H3 126.4 . . ?
N6 C23 H23 118.6 . . ?
N6 C23 C22 122.7(9) . . ?
C22 C23 H23 118.6 . . ?
N4 C9 C8 114.2(8) . . ?
N4 C9 C10 120.6(8) . . ?
C10 C9 C8 125.2(8) . . ?
C23 C22 H22 120.4 . . ?
C21 C22 C23 119.3(9) . . ?
C21 C22 H22 120.4 . . ?
C19 C20 H20 120.6 . . ?
C21 C20 C19 118.8(9) . . ?
C21 C20 H20 120.6 . . ?
C8 C7 H7 120.4 . . ?
C6 C7 C8 119.2(9) . . ?
C6 C7 H7 120.4 . . ?
C12 C11 H11 121.1 . . ?
C12 C11 C10 117.9(9) . . ?
C10 C11 H11 121.1 . . ?
C9 C10 H10 119.5 . . ?
C11 C10 C9 121.1(8) . . ?
C11 C10 H10 119.5 . . ?
C7 C6 H6 120.1 . . ?
C7 C6 C5 119.8(8) . . ?
C5 C6 H6 120.1 . . ?
N4 C13 C12 122.0(9) . . ?
N4 C13 H13 119.0 . . ?
C12 C13 H13 119.0 . . ?
C14 C15 H15 121.0 . . ?
C16 C15 C14 118.0(8) . . ?
C16 C15 H15 121.0 . . ?
C4 C5 C6 118.4(9) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 H5 120.8 . . ?
C18 C17 H17 120.2 . . ?
C16 C17 C18 119.6(9) . . ?
C16 C17 H17 120.2 . . ?
C22 C21 C20 119.8(8) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.7(9) . . ?
C17 C16 H16 119.7 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 Cl1 0.88 2.54 3.114(7) 123.8 .
N2 H2 O1 0.88 2.17 2.870(10) 136.5 .

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2ClO4
_database_code_depnum_ccdc_archive 'CCDC 1430165'
_audit_update_record             
;
2015-12-16 deposited with the CCDC.
2015-12-17 downloaded from the CCDC.
;
_audit_creation_date             2015-12-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_shelxl_version_number           2012-9
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C25 H24 Cl N6 Os, Cl O4'
_chemical_formula_sum            'C25 H24 Cl2 N6 O4 Os'
_chemical_formula_weight         733.60
_chemical_melting_point          ?
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'
Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.017(8)
_cell_length_b                   11.932(5)
_cell_length_c                   15.605(8)
_cell_angle_alpha                90
_cell_angle_beta                 113.401(6)
_cell_angle_gamma                90
_cell_volume                     2566(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5012
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.10
_cell_measurement_theta_min      3.10
_shelx_estimated_absorpt_T_max   0.421
_shelx_estimated_absorpt_T_min   0.421
_exptl_absorpt_coefficient_mu    5.223
_exptl_absorpt_correction_T_max  0.4215
_exptl_absorpt_correction_T_min  0.4215
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.899
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0967
_diffrn_reflns_av_unetI/netI     0.0962
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17428
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.139
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   'fine-focus sealed tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3869
_reflns_number_total             4507
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b28'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b28'
_computing_molecular_graphics    ORTEP
_computing_publication_material  ORTEP
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.631
_refine_diff_density_min         -1.463
_refine_diff_density_rms         0.234
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         4507
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0499
_refine_ls_restrained_S_all      1.124
_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)+(0.0309P)²+5.1499P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0985
_refine_ls_wR_factor_ref         0.1048
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger.The residual peak and the deepest hole is near to OS1 with distance of 0.97 A and 0.89 A, respectively.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C2) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.001
Uanis(N4) \\sim Ueq, Uanis(N3) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.001
Uanis(C13) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(C20)
\\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(N6) \\sim Ueq: with sigma of 0.001 and
sigma for terminal atoms of 0.001
Uanis(C23) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C3)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.001
3.a Aromatic/amide H refined with riding coordinates:
 N2(H2), C25(H25), C15(H15), C16(H16), C14(H14), C6(H6), C9(H9), C3(H3),
 C7(H7), C23(H23), C17(H17), C22(H22), C24(H24), C8(H8), C12(H12), C19(H19),
 C18(H18), C13(H13)
3.b Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.69372(2) 0.41779(2) 0.34551(2) 0.01051(11) Uani 1 1 d . . . . .
Cl1 Cl 0.78518(14) 0.24608(15) 0.37531(12) 0.0147(4) Uani 1 1 d . . . . .
Cl2 Cl 0.22557(17) 0.46593(17) 0.10929(13) 0.0238(5) Uani 1 1 d . . . . .
N6 N 0.7994(5) 0.4792(5) 0.3070(4) 0.0129(14) Uani 1 1 d . U . . .
N1 N 0.7599(5) 0.4502(5) 0.4897(4) 0.0126(14) Uani 1 1 d . U . . .
N5 N 0.6347(5) 0.3909(5) 0.2052(4) 0.0112(14) Uani 1 1 d . . . . .
N3 N 0.5834(5) 0.3567(5) 0.3789(4) 0.0093(13) Uani 1 1 d . U . . .
N4 N 0.6044(5) 0.5516(5) 0.3198(4) 0.0116(14) Uani 1 1 d . U . . .
N2 N 0.7717(5) 0.3631(5) 0.5509(4) 0.0126(15) Uani 1 1 d . . . . .
H2 H 0.7649 0.2920 0.5347 0.015 Uiso 1 1 calc R . . . .
O1 O 0.2557(5) 0.3892(5) 0.0556(4) 0.0314(17) Uani 1 1 d . . . . .
C21 C 0.7840(6) 0.4689(6) 0.2153(5) 0.0129(16) Uani 1 1 d . U . . .
C25 C 0.8885(6) 0.5158(6) 0.3668(5) 0.0164(19) Uani 1 1 d . . . . .
H25 H 0.9012 0.5224 0.4312 0.020 Uiso 1 1 calc R . . . .
C15 C 0.6125(7) 0.6450(6) 0.2734(5) 0.021(2) Uani 1 1 d . . . . .
H15 H 0.6637 0.6498 0.2523 0.025 Uiso 1 1 calc R . . . .
C10 C 0.5160(6) 0.4327(6) 0.3796(5) 0.0167(19) Uani 1 1 d . . . . .
C20 C 0.6884(6) 0.4241(6) 0.1567(5) 0.0132(17) Uani 1 1 d . U . . .
C16 C 0.5452(6) 0.3502(6) 0.1572(5) 0.0137(18) Uani 1 1 d . . . . .
H16 H 0.5082 0.3263 0.1910 0.016 Uiso 1 1 calc R . . . .
C11 C 0.5264(6) 0.5437(7) 0.3435(5) 0.0176(19) Uani 1 1 d . . . . .
C14 C 0.5485(6) 0.7327(6) 0.2566(5) 0.020(2) Uani 1 1 d . . . . .
H14 H 0.5545 0.7960 0.2224 0.024 Uiso 1 1 calc R . . . .
C2 C 0.7768(6) 0.5425(6) 0.5430(5) 0.0152(17) Uani 1 1 d . U . . .
O2 O 0.1515(6) 0.4164(6) 0.1351(5) 0.046(2) Uani 1 1 d . . . . .
C6 C 0.5764(6) 0.2517(6) 0.4072(5) 0.0154(18) Uani 1 1 d . . . . .
H6 H 0.6232 0.1979 0.4076 0.018 Uiso 1 1 calc R . . . .
C5 C 0.8128(7) 0.3199(6) 0.7172(5) 0.022(2) Uani 1 1 d . . . . .
H5A H 0.7558 0.2720 0.7033 0.033 Uiso 1 1 calc GR . . . .
H5B H 0.8250 0.3623 0.7746 0.033 Uiso 1 1 calc GR . . . .
H5C H 0.8694 0.2733 0.7256 0.033 Uiso 1 1 calc GR . . . .
C9 C 0.4433(6) 0.4043(6) 0.4083(5) 0.0182(18) Uani 1 1 d . U . . .
H9 H 0.3974 0.4586 0.4091 0.022 Uiso 1 1 calc R . . . .
C1 C 0.7755(7) 0.6577(6) 0.5034(6) 0.026(2) Uani 1 1 d . . . . .
H1A H 0.8236 0.6616 0.4757 0.039 Uiso 1 1 calc GR . . . .
H1B H 0.7911 0.7134 0.5533 0.039 Uiso 1 1 calc GR . . . .
H1C H 0.7108 0.6731 0.4553 0.039 Uiso 1 1 calc GR . . . .
C3 C 0.7995(6) 0.5135(6) 0.6357(5) 0.0142(17) Uani 1 1 d . U . . .
H3 H 0.8150 0.5632 0.6871 0.017 Uiso 1 1 calc R . . . .
C7 C 0.5049(6) 0.2188(7) 0.4354(5) 0.019(2) Uani 1 1 d . . . . .
H7 H 0.5020 0.1436 0.4542 0.023 Uiso 1 1 calc R . . . .
C23 C 0.9452(7) 0.5341(6) 0.2451(5) 0.0220(19) Uani 1 1 d . U . . .
H23 H 0.9949 0.5521 0.2242 0.026 Uiso 1 1 calc R . . . .
C4 C 0.7949(6) 0.3996(7) 0.6380(5) 0.0178(19) Uani 1 1 d . . . . .
C17 C 0.5043(7) 0.3414(7) 0.0613(5) 0.027(2) Uani 1 1 d . . . . .
H17 H 0.4403 0.3133 0.0296 0.032 Uiso 1 1 calc R . . . .
C22 C 0.8545(7) 0.4976(6) 0.1828(6) 0.021(2) Uani 1 1 d . . . . .
H22 H 0.8410 0.4924 0.1181 0.025 Uiso 1 1 calc R . . . .
C24 C 0.9606(6) 0.5434(6) 0.3375(5) 0.0178(18) Uani 1 1 d . U . . .
H24 H 1.0215 0.5691 0.3815 0.021 Uiso 1 1 calc R . . . .
C8 C 0.4382(7) 0.2952(7) 0.4360(5) 0.023(2) Uani 1 1 d . . . . .
H8 H 0.3881 0.2738 0.4554 0.027 Uiso 1 1 calc R . . . .
C12 C 0.4635(6) 0.6329(6) 0.3325(5) 0.0199(19) Uani 1 1 d . . . . .
H12 H 0.4130 0.6281 0.3545 0.024 Uiso 1 1 calc R . . . .
O4 O 0.1917(8) 0.5643(6) 0.0571(6) 0.079(3) Uani 1 1 d . . . . .
C19 C 0.6513(6) 0.4182(6) 0.0600(5) 0.0182(19) Uani 1 1 d . . . . .
H19 H 0.6887 0.4435 0.0269 0.022 Uiso 1 1 calc R . . . .
C18 C 0.5594(6) 0.3751(6) 0.0123(5) 0.0166(17) Uani 1 1 d . U . . .
H18 H 0.5340 0.3684 -0.0538 0.020 Uiso 1 1 calc R . . . .
O3 O 0.3057(6) 0.4906(7) 0.1938(5) 0.066(3) Uani 1 1 d . . . . .
C13 C 0.4759(6) 0.7291(7) 0.2888(5) 0.0200(19) Uani 1 1 d . U . . .
H13 H 0.4345 0.7918 0.2812 0.024 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Os1 Cl1 2.407(2) . ?
Os1 N6 2.044(7) . ?
Os1 N1 2.104(6) . ?
Os1 N5 2.035(6) . ?
Os1 N3 2.058(7) . ?
Os1 N4 2.020(6) . ?
Cl2 O1 1.430(6) . ?
Cl2 O2 1.450(7) . ?
Cl2 O4 1.404(7) . ?
Cl2 O3 1.419(7) . ?
N6 C21 1.362(9) . ?
N6 C25 1.364(10) . ?
N1 N2 1.374(8) . ?
N1 C2 1.341(9) . ?
N5 C20 1.366(10) . ?
N5 C16 1.343(10) . ?
N3 C10 1.363(10) . ?
N3 C6 1.347(9) . ?
N4 C15 1.361(9) . ?
N4 C11 1.365(11) . ?
N2 H2 0.8800 . ?
N2 C4 1.335(9) . ?
C21 C20 1.463(10) . ?
C21 C22 1.386(12) . ?
C25 H25 0.9500 . ?
C25 C24 1.371(12) . ?
C15 H15 0.9500 . ?
C15 C14 1.374(11) . ?
C10 C11 1.471(11) . ?
C10 C9 1.377(12) . ?
C20 C19 1.388(10) . ?
C16 H16 0.9500 . ?
C16 C17 1.377(10) . ?
C11 C12 1.388(11) . ?
C14 H14 0.9500 . ?
C14 C13 1.371(12) . ?
C2 C1 1.504(10) . ?
C2 C3 1.392(10) . ?
C6 H6 0.9500 . ?
C6 C7 1.369(11) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C5 C4 1.496(10) . ?
C9 H9 0.9500 . ?
C9 C8 1.383(11) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C3 H3 0.9500 . ?
C3 C4 1.361(10) . ?
C7 H7 0.9500 . ?
C7 C8 1.358(12) . ?
C23 H23 0.9500 . ?
C23 C22 1.391(11) . ?
C23 C24 1.371(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.391(12) . ?
C22 H22 0.9500 . ?
C24 H24 0.9500 . ?
C8 H8 0.9500 . ?
C12 H12 0.9500 . ?
C12 C13 1.385(11) . ?
C19 H19 0.9500 . ?
C19 C18 1.380(11) . ?
C18 H18 0.9500 . ?
C13 H13 0.9500 . ?

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
N6 Os1 Cl1 84.92(18) . . ?
N6 Os1 N1 99.0(2) . . ?
N6 Os1 N3 177.7(2) . . ?
N1 Os1 Cl1 87.66(17) . . ?
N5 Os1 Cl1 92.59(18) . . ?
N5 Os1 N6 78.3(2) . . ?
N5 Os1 N1 177.3(3) . . ?
N5 Os1 N3 99.6(2) . . ?
N3 Os1 Cl1 96.00(17) . . ?
N3 Os1 N1 83.1(2) . . ?
N4 Os1 Cl1 173.70(19) . . ?
N4 Os1 N6 101.0(3) . . ?
N4 Os1 N1 93.5(2) . . ?
N4 Os1 N5 86.5(2) . . ?
N4 Os1 N3 78.0(2) . . ?
O1 Cl2 O2 110.9(4) . . ?
O4 Cl2 O1 108.7(4) . . ?
O4 Cl2 O2 111.2(6) . . ?
O4 Cl2 O3 110.1(6) . . ?
O3 Cl2 O1 109.2(5) . . ?
O3 Cl2 O2 106.7(5) . . ?
C21 N6 Os1 116.7(5) . . ?
C21 N6 C25 117.3(7) . . ?
C25 N6 Os1 125.4(5) . . ?
N2 N1 Os1 118.7(4) . . ?
C2 N1 Os1 134.9(5) . . ?
C2 N1 N2 104.5(6) . . ?
C20 N5 Os1 116.7(5) . . ?
C16 N5 Os1 124.7(6) . . ?
C16 N5 C20 118.4(6) . . ?
C10 N3 Os1 116.2(5) . . ?
C6 N3 Os1 126.0(6) . . ?
C6 N3 C10 117.5(7) . . ?
C15 N4 Os1 124.1(6) . . ?
C15 N4 C11 117.9(7) . . ?
C11 N4 Os1 117.7(5) . . ?
N1 N2 H2 124.2 . . ?
C4 N2 N1 111.7(6) . . ?
C4 N2 H2 124.2 . . ?
N6 C21 C20 113.9(7) . . ?
N6 C21 C22 121.7(7) . . ?
C22 C21 C20 124.4(7) . . ?
N6 C25 H25 118.7 . . ?
N6 C25 C24 122.6(7) . . ?
C24 C25 H25 118.7 . . ?
N4 C15 H15 119.3 . . ?
N4 C15 C14 121.5(9) . . ?
C14 C15 H15 119.3 . . ?
N3 C10 C11 113.8(8) . . ?
N3 C10 C9 121.7(7) . . ?
C9 C10 C11 124.4(8) . . ?
N5 C20 C21 114.1(6) . . ?
N5 C20 C19 121.1(7) . . ?
C19 C20 C21 124.7(8) . . ?
N5 C16 H16 118.3 . . ?
N5 C16 C17 123.4(8) . . ?
C17 C16 H16 118.3 . . ?
N4 C11 C10 113.5(7) . . ?
N4 C11 C12 122.0(8) . . ?
C12 C11 C10 124.5(8) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 C15 120.3(8) . . ?
C13 C14 H14 119.9 . . ?
N1 C2 C1 121.8(7) . . ?
N1 C2 C3 110.3(6) . . ?
C3 C2 C1 127.8(7) . . ?
N3 C6 H6 118.5 . . ?
N3 C6 C7 123.0(8) . . ?
C7 C6 H6 118.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
C10 C9 H9 120.6 . . ?
C10 C9 C8 118.9(8) . . ?
C8 C9 H9 120.6 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C3 H3 126.8 . . ?
C4 C3 C2 106.4(7) . . ?
C4 C3 H3 126.8 . . ?
C6 C7 H7 120.5 . . ?
C8 C7 C6 119.0(8) . . ?
C8 C7 H7 120.5 . . ?
C22 C23 H23 121.0 . . ?
C24 C23 H23 121.0 . . ?
C24 C23 C22 118.0(9) . . ?
N2 C4 C5 121.4(7) . . ?
N2 C4 C3 107.1(6) . . ?
C3 C4 C5 131.5(7) . . ?
C16 C17 H17 121.0 . . ?
C16 C17 C18 117.9(8) . . ?
C18 C17 H17 121.0 . . ?
C21 C22 C23 120.0(8) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C25 C24 H24 119.9 . . ?
C23 C24 C25 120.3(8) . . ?
C23 C24 H24 119.9 . . ?
C9 C8 H8 120.1 . . ?
C7 C8 C9 119.8(9) . . ?
C7 C8 H8 120.1 . . ?
C11 C12 H12 120.7 . . ?
C13 C12 C11 118.6(9) . . ?
C13 C12 H12 120.7 . . ?
C20 C19 H19 120.4 . . ?
C18 C19 C20 119.3(8) . . ?
C18 C19 H19 120.4 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.8(7) . . ?
C19 C18 H18 120.1 . . ?
C14 C13 C12 119.3(8) . . ?
C14 C13 H13 120.4 . . ?
C12 C13 H13 120.4 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 Cl1 0.88 2.68 3.153(6) 114.9 .
N2 H2 O1 0.88 2.20 3.024(8) 155.9 4_666

_olex2_submission_special_instructions 'No special instructions were received'
