# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_Cr1
_database_code_depnum_ccdc_archive 'CCDC 1502005'
_audit_update_record             
;
2016-09-14 deposited with the CCDC.
2016-09-19 downloaded from the CCDC.
;
_audit_creation_date             2016-09-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_formula_moiety         'C28 H30 Cl3 Cr N3, C H2 Cl2'
_chemical_formula_sum            'C29 H32 Cl5 Cr N3'
_chemical_formula_weight         651.83
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
Cr 0.32644 0.61635 10.64060 7.35370 3.32400 1.49220 6.10380 0.39200 20.26260
98.73990 1.18320000172
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cl 0.14873 0.16029 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940
47.77840 -9.55739974976
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,-z
4 x,-y-1/2,z-1/2

_symmetry_Int_Tables_number      14
_cell_length_a                   8.3300(17)
_cell_length_b                   22.670(5)
_cell_length_c                   16.960(3)
_cell_angle_alpha                90
_cell_angle_beta                 100.40(3)
_cell_angle_gamma                90
_cell_volume                     3150.1(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    11176
_cell_measurement_temperature    173.1500
_cell_measurement_theta_max      27.4120
_cell_measurement_theta_min      1.2207
_exptl_absorpt_coefficient_mu    0.811
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5745
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.3744
_exptl_crystal_description       plate
_exptl_crystal_F_000             1348.5950
_exptl_crystal_size_max          0.175
_exptl_crystal_size_mid          0.086
_exptl_crystal_size_min          0.059
_exptl_special_details           
;
 ?
;
_diffrn_reflns_av_R_equivalents  0.1184
_diffrn_reflns_av_unetI/netI     0.0789
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            38746
_diffrn_reflns_theta_full        25.5000
_diffrn_reflns_theta_max         24.50
_diffrn_reflns_theta_min         1.52
_diffrn_ambient_temperature      173.1500
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.9613
_diffrn_measured_fraction_theta_max 0.9613
_diffrn_measurement_details      
;
scan:
	Number of images: 360
	           Slice: -110.0000 - 70.0000
	     Image width: 0.5000
	        Exp time: 20.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 180.0000
	             XTD: 40.3147
	          2theta: -19.9384
scan:
	Number of images: 360
	           Slice: -110.0000 - 70.0000
	     Image width: 0.5000
	        Exp time: 20.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 90.0000
	             XTD: 40.3147
	          2theta: -19.9384
scan:
	Number of images: 328
	           Slice: -110.0000 - 54.0000
	     Image width: 0.5000
	        Exp time: 20.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 0.0000
	             XTD: 40.3147
	          2theta: -19.9384
;
_diffrn_measurement_device       
;
Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_device_details 
;
AFC10: Fixed Chi 2 circle
;
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       dtprofit.ref
_diffrn_number_total             14135
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      -0.1154
_diffrn_orient_matrix_UB_12      -0.0072
_diffrn_orient_matrix_UB_13      -0.0389
_diffrn_orient_matrix_UB_21      -0.0210
_diffrn_orient_matrix_UB_22      -0.0430
_diffrn_orient_matrix_UB_23      0.0361
_diffrn_orient_matrix_UB_31      -0.0118
_diffrn_orient_matrix_UB_32      0.0306
_diffrn_orient_matrix_UB_33      0.0295
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           24.0000
_diffrn_source_power             1.2000
_diffrn_source_voltage           50.0000
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              9
_reflns_limit_h_min              -9
_reflns_limit_k_max              26
_reflns_limit_k_min              0
_reflns_limit_l_max              19
_reflns_limit_l_min              0
_reflns_number_gt                4467
_reflns_number_total             5044
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    
;
????
;
_refine_diff_density_max         0.6158
_refine_diff_density_min         -0.6009
_refine_diff_density_rms         0.1397
_refine_ls_d_res_high            0.8570
_refine_ls_d_res_low             13.4359
_refine_ls_goodness_of_fit_ref   1.0441
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    49
_refine_ls_number_parameters     349
_refine_ls_number_reflns         5044
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1164
_refine_ls_R_factor_gt           0.1035
_refine_ls_restrained_S_all      1.0441
_refine_ls_shift/su_max          0.0004
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0380P)²+20.5240P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1910
_refine_ls_wR_factor_ref         0.1987
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C29(H29a,H29b)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C15(H15), C23(H23), C17(H17), C16(H16), C10(H10), C24(H24),
 C25(H25)
2.c Idealised Me refined as rotating group:
 C19(H19a,H19b,H19c), C1(H1a,H1b,H1c), C27(H27a,H27b,H27c), C11(H11a,H11b,
 H11c), C12(H12a,H12b,H12c), C20(H20a,H20b,H20c), C28(H28a,H28b,H28c)
;
_atom_sites_solution_primary     direct
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_refinement_flags_posn
Cr1 Cr 0.45160(13) 0.73663(5) 0.05959(6) 0.0378(3) Uani 1.000000 .
Cl3 Cl 0.6053(2) 0.73936(8) -0.04025(10) 0.0465(4) Uani 1.000000 .
Cl2 Cl 0.6296(2) 0.67034(8) 0.13770(10) 0.0451(4) Uani 1.000000 .
Cl1 Cl 0.2566(2) 0.79999(8) -0.00539(10) 0.0498(5) Uani 1.000000 .
N2 N 0.3332(6) 0.7301(2) 0.1507(3) 0.0360(12) Uani 1.000000 .
N3 N 0.2752(6) 0.6598(2) 0.0208(3) 0.0401(13) Uani 1.000000 .
C3 C 0.3764(8) 0.7624(3) 0.2185(4) 0.0382(15) Uani 1.000000 .
N1 N 0.5478(7) 0.8075(2) 0.1381(3) 0.0404(13) Uani 1.000000 .
C8 C 0.2040(7) 0.6465(3) 0.0811(4) 0.0378(15) Uani 1.000000 .
C21 C 0.6458(8) 0.8561(3) 0.1174(4) 0.0396(15) Uani 1.000000 .
C4 C 0.3087(8) 0.7481(3) 0.2856(4) 0.0444(17) Uani 1.000000 .
H4 H 0.3356(8) 0.7706(3) 0.3320(4) 0.053(2) Uiso 1.000000 R
C7 C 0.2355(8) 0.6847(3) 0.1509(4) 0.0367(15) Uani 1.000000 .
C26 C 0.8113(8) 0.8462(3) 0.1142(4) 0.0479(18) Uani 1.000000 .
C19 C 0.5133(8) 0.5760(3) -0.0185(4) 0.0445(17) Uani 1.000000 .
H19a H 0.575(2) 0.6119(7) -0.019(2) 0.067(3) Uiso 1.000000 GR
H19b H 0.5002(8) 0.567(2) 0.0353(7) 0.067(3) Uiso 1.000000 GR
H19c H 0.571(2) 0.5443(13) -0.0387(16) 0.067(3) Uiso 1.000000 GR
C1 C 0.5526(9) 0.8509(3) 0.2750(4) 0.0463(17) Uani 1.000000 .
H1a H 0.4624(16) 0.8750(14) 0.2831(18) 0.069(3) Uiso 1.000000 GR
H1b H 0.593(5) 0.8291(3) 0.3230(7) 0.069(3) Uiso 1.000000 GR
H1c H 0.638(4) 0.8755(14) 0.2621(12) 0.069(3) Uiso 1.000000 GR
C5 C 0.2012(8) 0.7008(3) 0.2843(4) 0.0435(17) Uani 1.000000 .
H5 H 0.1562(8) 0.6920(3) 0.3293(4) 0.052(2) Uiso 1.000000 R
C14 C 0.0942(8) 0.6400(3) -0.1083(4) 0.0405(16) Uani 1.000000 .
C2 C 0.4978(8) 0.8091(3) 0.2078(4) 0.0389(15) Uani 1.000000 .
C6 C 0.1612(8) 0.6663(3) 0.2143(4) 0.0403(16) Uani 1.000000 .
C18 C 0.3488(8) 0.5833(3) -0.0705(4) 0.0405(16) Uani 1.000000 .
C27 C 0.8948(8) 0.7870(3) 0.1357(4) 0.0516(19) Uani 1.000000 .
H27a H 0.863(5) 0.7718(11) 0.1835(17) 0.077(3) Uiso 1.000000 GR
H27b H 0.863(5) 0.7597(7) 0.0925(13) 0.077(3) Uiso 1.000000 GR
H27c H 1.0110(8) 0.7922(5) 0.145(3) 0.077(3) Uiso 1.000000 GR
C22 C 0.5721(9) 0.9113(3) 0.1003(4) 0.0463(17) Uani 1.000000 .
C15 C 0.0587(9) 0.6066(4) -0.1800(4) 0.0531(19) Uani 1.000000 .
H15 H -0.0335(9) 0.6154(4) -0.2180(4) 0.064(2) Uiso 1.000000 R
C13 C 0.2376(9) 0.6266(3) -0.0547(4) 0.0451(17) Uani 1.000000 .
C23 C 0.6685(10) 0.9568(4) 0.0781(5) 0.059(2) Uani 1.000000 .
H23 H 0.6226(10) 0.9939(4) 0.0668(5) 0.070(2) Uiso 1.000000 R
C11 C 0.2142(9) 0.5387(3) 0.1148(5) 0.058(2) Uani 1.000000 .
H11a H 0.245(5) 0.5289(14) 0.0645(8) 0.087(3) Uiso 1.000000 GR
H11b H 0.310(3) 0.5474(8) 0.153(2) 0.087(3) Uiso 1.000000 GR
H11c H 0.158(2) 0.5059(7) 0.133(3) 0.087(3) Uiso 1.000000 GR
C9 C 0.1003(8) 0.5934(3) 0.1040(4) 0.0448(17) Uani 1.000000 .
C17 C 0.3058(9) 0.5498(3) -0.1405(4) 0.0487(18) Uani 1.000000 .
H17 H 0.3747(9) 0.5199(3) -0.1516(4) 0.058(2) Uiso 1.000000 R
C16 C 0.1609(9) 0.5610(4) -0.1938(4) 0.054(2) Uani 1.000000 .
H16 H 0.1325(9) 0.5374(4) -0.2391(4) 0.065(2) Uiso 1.000000 R
C10 C 0.0612(8) 0.6137(3) 0.1896(4) 0.0451(17) Uani 1.000000 .
H10 H -0.0108(8) 0.5955(3) 0.2180(4) 0.054(2) Uiso 1.000000 R
C24 C 0.8310(10) 0.9478(4) 0.0726(5) 0.060(2) Uani 1.000000 .
H24 H 0.8926(10) 0.9785(4) 0.0571(5) 0.072(3) Uiso 1.000000 R
C12 C -0.0582(8) 0.5812(3) 0.0462(4) 0.0517(19) Uani 1.000000 .
H12a H -0.125(3) 0.6159(7) 0.041(2) 0.077(3) Uiso 1.000000 GR
H12b H -0.0343(9) 0.570(2) -0.0052(9) 0.077(3) Uiso 1.000000 GR
H12c H -0.115(3) 0.5494(15) 0.0665(15) 0.077(3) Uiso 1.000000 GR
C20 C -0.0208(9) 0.6887(3) -0.0949(5) 0.059(2) Uani 1.000000 .
H20a H -0.062(5) 0.7077(16) -0.1450(7) 0.088(3) Uiso 1.000000 GR
H20b H -0.110(3) 0.6724(5) -0.073(3) 0.088(3) Uiso 1.000000 GR
H20c H 0.0364(19) 0.7170(12) -0.058(2) 0.088(3) Uiso 1.000000 GR
C25 C 0.9013(9) 0.8925(4) 0.0904(4) 0.056(2) Uani 1.000000 .
H25 H 1.0099(9) 0.8864(4) 0.0863(4) 0.068(2) Uiso 1.000000 R
C28 C 0.3973(9) 0.9246(3) 0.1066(5) 0.057(2) Uani 1.000000 .
H28a H 0.3274(11) 0.8943(13) 0.080(3) 0.086(3) Uiso 1.000000 GR
H28b H 0.3870(16) 0.926(2) 0.1621(5) 0.086(3) Uiso 1.000000 GR
H28c H 0.366(2) 0.9620(11) 0.082(3) 0.086(3) Uiso 1.000000 GR
Cl5 Cl 0.4869(5) 0.41792(16) 0.6732(3) 0.1425(15) Uani 1.000000 .
Cl4 Cl 0.1371(4) 0.4098(2) 0.6394(2) 0.1443(16) Uani 1.000000 .
C29 C 0.3197(15) 0.3711(5) 0.6427(7) 0.108(4) Uani 1.000000 .
H29a H 0.3243(15) 0.3553(5) 0.5900(7) 0.130(5) Uiso 1.000000 R
H29b H 0.3242(15) 0.3384(5) 0.6798(7) 0.130(5) Uiso 1.000000 R


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
Cr1 Cl3 2.3007(19) . ?
Cr1 Cl2 2.346(2) . ?
Cr1 Cl1 2.295(2) . ?
Cr1 N2 1.982(5) . ?
Cr1 N3 2.297(5) . ?
Cr1 N1 2.148(5) . ?
N2 C3 1.355(8) . ?
N2 C7 1.313(8) . ?
N3 C8 1.307(8) . ?
N3 C13 1.469(8) . ?
C3 C4 1.397(9) . ?
C3 C2 1.498(9) . ?
N1 C21 1.450(8) . ?
N1 C2 1.324(8) . ?
C8 C7 1.453(8) . ?
C8 C9 1.570(9) . ?
C21 C26 1.407(9) . ?
C21 C22 1.401(9) . ?
C4 C5 1.396(9) . ?
C7 C6 1.396(8) . ?
C26 C27 1.526(10) . ?
C26 C25 1.391(10) . ?
C19 C18 1.499(9) . ?
C1 C2 1.488(9) . ?
C5 C6 1.411(9) . ?
C14 C15 1.417(9) . ?
C14 C13 1.398(9) . ?
C14 C20 1.505(10) . ?
C6 C10 1.472(9) . ?
C18 C13 1.408(10) . ?
C18 C17 1.400(9) . ?
C22 C23 1.400(10) . ?
C22 C28 1.510(10) . ?
C15 C16 1.387(11) . ?
C23 C24 1.389(11) . ?
C11 C9 1.553(10) . ?
C9 C10 1.610(9) . ?
C9 C12 1.521(9) . ?
C17 C16 1.394(10) . ?
C24 C25 1.394(11) . ?
Cl5 C29 1.752(12) . ?
Cl4 C29 1.748(12) . ?

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
Cl2 Cr1 Cl3 93.09(7) . . ?
Cl1 Cr1 Cl3 93.97(7) . . ?
Cl1 Cr1 Cl2 172.89(8) . . ?
N2 Cr1 Cl3 175.31(16) . . ?
N2 Cr1 Cl2 82.23(15) . . ?
N2 Cr1 Cl1 90.71(15) . . ?
N3 Cr1 Cl3 102.81(14) . . ?
N3 Cr1 Cl2 89.00(15) . . ?
N3 Cr1 Cl1 88.64(15) . . ?
N3 Cr1 N2 77.5(2) . . ?
N1 Cr1 Cl3 103.95(16) . . ?
N1 Cr1 Cl2 90.14(15) . . ?
N1 Cr1 Cl1 88.96(15) . . ?
N1 Cr1 N2 75.8(2) . . ?
N1 Cr1 N3 153.2(2) . . ?
C3 N2 Cr1 121.8(4) . . ?
C7 N2 Cr1 117.2(4) . . ?
C7 N2 C3 119.3(5) . . ?
C8 N3 Cr1 108.0(4) . . ?
C13 N3 Cr1 131.5(4) . . ?
C13 N3 C8 120.5(5) . . ?
C4 C3 N2 118.8(6) . . ?
C2 C3 N2 111.2(6) . . ?
C2 C3 C4 130.0(6) . . ?
C21 N1 Cr1 125.5(4) . . ?
C2 N1 Cr1 115.6(4) . . ?
C2 N1 C21 118.5(5) . . ?
C7 C8 N3 117.4(6) . . ?
C9 C8 N3 135.9(6) . . ?
C9 C8 C7 106.3(5) . . ?
C26 C21 N1 119.1(6) . . ?
C22 C21 N1 118.9(6) . . ?
C22 C21 C26 122.0(6) . . ?
C5 C4 C3 121.2(6) . . ?
C8 C7 N2 119.0(5) . . ?
C6 C7 N2 126.7(6) . . ?
C6 C7 C8 114.2(6) . . ?
C27 C26 C21 122.6(6) . . ?
C25 C26 C21 118.3(7) . . ?
C25 C26 C27 119.1(6) . . ?
C6 C5 C4 119.5(6) . . ?
C13 C14 C15 117.6(6) . . ?
C20 C14 C15 118.8(6) . . ?
C20 C14 C13 123.6(6) . . ?
N1 C2 C3 114.6(6) . . ?
C1 C2 C3 118.6(6) . . ?
C1 C2 N1 126.7(6) . . ?
C5 C6 C7 114.3(6) . . ?
C10 C6 C7 109.3(6) . . ?
C10 C6 C5 136.4(6) . . ?
C13 C18 C19 121.8(6) . . ?
C17 C18 C19 120.4(6) . . ?
C17 C18 C13 117.6(6) . . ?
C23 C22 C21 117.6(7) . . ?
C28 C22 C21 123.7(6) . . ?
C28 C22 C23 118.7(7) . . ?
C16 C15 C14 120.2(7) . . ?
C14 C13 N3 118.6(6) . . ?
C18 C13 N3 118.6(6) . . ?
C18 C13 C14 122.8(6) . . ?
C24 C23 C22 121.5(8) . . ?
C11 C9 C8 106.9(5) . . ?
C10 C9 C8 102.4(5) . . ?
C10 C9 C11 109.8(6) . . ?
C12 C9 C8 115.6(6) . . ?
C12 C9 C11 111.8(6) . . ?
C12 C9 C10 109.9(5) . . ?
C16 C17 C18 120.7(7) . . ?
C17 C16 C15 120.8(7) . . ?
C9 C10 C6 106.9(5) . . ?
C25 C24 C23 119.6(8) . . ?
C24 C25 C26 120.9(7) . . ?
Cl4 C29 Cl5 110.3(6) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
