# Electronic Supplementary Material (ESI) for ChemComm.
# 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. 
# 
#######################################################################

data_Compound_2
_database_code_depnum_ccdc_archive 'CCDC 1029655'
#Added by publCIF



_audit_update_record             
;
2014-10-17 deposited with the CCDC.
2015-12-04 downloaded from the CCDC.
;
# publcif _publ_body_element loop end
_audit_creation_date             2014-10-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        
dichloro[diphenyl-(2-pyridyl)phosphine-1-N]zinc(II)
_chemical_formula_moiety         'C34 H28 Cl2 N2 P2 Zn'
_chemical_formula_sum            'C34 H28 Cl2 N2 P2 Zn'
_chemical_formula_weight         662.79
_chemical_melting_point          449-451
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'
P P 0.1023 0.0942 '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'
Zn Zn 0.2839 1.4301 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.6754(6)
_cell_length_b                   11.3153(3)
_cell_length_c                   12.8588(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.895(2)
_cell_angle_gamma                90
_cell_volume                     3074.26(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3685
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      25.98
_cell_measurement_theta_min      2.47
_shelx_estimated_absorpt_T_max   0.893
_shelx_estimated_absorpt_T_min   0.775
_exptl_absorpt_coefficient_mu    1.104
_exptl_absorpt_correction_T_max  0.8929
_exptl_absorpt_correction_T_min  0.7752
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker, SADABS'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.243
_exptl_crystal_size_mid          0.109
_exptl_crystal_size_min          0.105
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0645
_diffrn_reflns_av_unetI/netI     0.0489
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            24258
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.327
_diffrn_reflns_theta_min         2.042
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2755
_reflns_number_total             3821
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.355
_refine_diff_density_min         -0.344
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     186
_refine_ls_number_reflns         3821
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0359
_refine_ls_restrained_S_all      1.026
_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)+(0.0228P)²+3.2513P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0654
_refine_ls_wR_factor_ref         0.0741
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11),
 C13(H13), C14(H14), C15(H15), C16(H16), C17(H17)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Zn1 Zn 1.0000 0.82689(3) 0.2500 0.02216(10) Uani 1 2 d S T P . .
P1 P 0.91191(3) 0.58524(5) 0.23724(4) 0.02313(13) Uani 1 1 d . . . . .
Cl1 Cl 1.06476(3) 0.92934(5) 0.16761(4) 0.03084(14) Uani 1 1 d . . . . .
N1 N 0.93099(8) 0.77218(15) 0.11776(13) 0.0232(4) Uani 1 1 d . . . . .
C1 C 0.89089(10) 0.68098(18) 0.11872(16) 0.0229(5) Uani 1 1 d . . . . .
C2 C 0.83804(11) 0.6645(2) 0.03611(17) 0.0304(5) Uani 1 1 d . . . . .
H2 H 0.8107 0.5992 0.0376 0.036 Uiso 1 1 calc R . . . .
C3 C 0.82545(11) 0.7432(2) -0.04809(18) 0.0322(6) Uani 1 1 d . . . . .
H3 H 0.7892 0.7335 -0.1045 0.039 Uiso 1 1 calc R . . . .
C4 C 0.86658(11) 0.8361(2) -0.04867(17) 0.0304(5) Uani 1 1 d . . . . .
H4 H 0.8591 0.8916 -0.1056 0.036 Uiso 1 1 calc R . . . .
C5 C 0.91864(11) 0.8473(2) 0.03444(17) 0.0286(5) Uani 1 1 d . . . . .
H5 H 0.9471 0.9107 0.0330 0.034 Uiso 1 1 calc R . . . .
C6 C 0.92209(10) 0.44314(18) 0.17579(16) 0.0222(5) Uani 1 1 d . . . . .
C7 C 0.91740(10) 0.34019(19) 0.23288(17) 0.0258(5) Uani 1 1 d . . . . .
H7 H 0.9069 0.3453 0.3006 0.031 Uiso 1 1 calc R . . . .
C8 C 0.92777(11) 0.2311(2) 0.19256(19) 0.0318(6) Uani 1 1 d . . . . .
H8 H 0.9234 0.1616 0.2318 0.038 Uiso 1 1 calc R . . . .
C9 C 0.94452(12) 0.2223(2) 0.09493(19) 0.0355(6) Uani 1 1 d . . . . .
H9 H 0.9513 0.1471 0.0667 0.043 Uiso 1 1 calc R . . . .
C10 C 0.95130(11) 0.3237(2) 0.03919(18) 0.0337(6) Uani 1 1 d . . . . .
H10 H 0.9639 0.3182 -0.0268 0.040 Uiso 1 1 calc R . . . .
C11 C 0.93995(11) 0.4336(2) 0.07846(17) 0.0278(5) Uani 1 1 d . . . . .
H11 H 0.9443 0.5028 0.0389 0.033 Uiso 1 1 calc R . . . .
C12 C 0.83390(10) 0.5714(2) 0.27015(17) 0.0257(5) Uani 1 1 d . . . . .
C13 C 0.79019(11) 0.4820(2) 0.2335(2) 0.0346(6) Uani 1 1 d . . . . .
H13 H 0.7995 0.4238 0.1860 0.042 Uiso 1 1 calc R . . . .
C14 C 0.73310(12) 0.4772(3) 0.2657(2) 0.0466(7) Uani 1 1 d . . . . .
H14 H 0.7039 0.4152 0.2411 0.056 Uiso 1 1 calc R . . . .
C15 C 0.71892(13) 0.5616(3) 0.3328(2) 0.0511(8) Uani 1 1 d . . . . .
H15 H 0.6801 0.5578 0.3553 0.061 Uiso 1 1 calc R . . . .
C16 C 0.76069(14) 0.6518(3) 0.3676(2) 0.0528(8) Uani 1 1 d . . . . .
H16 H 0.7501 0.7113 0.4127 0.063 Uiso 1 1 calc R . . . .
C17 C 0.81841(12) 0.6571(2) 0.33737(19) 0.0386(6) Uani 1 1 d . . . . .
H17 H 0.8472 0.7194 0.3627 0.046 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
Zn1 Cl1 2.2586(6) 2_755 ?
Zn1 Cl1 2.2585(6) . ?
Zn1 N1 2.0921(17) . ?
Zn1 N1 2.0921(17) 2_755 ?
P1 C1 1.842(2) . ?
P1 C6 1.827(2) . ?
P1 C12 1.839(2) . ?
N1 C1 1.351(3) . ?
N1 C5 1.347(3) . ?
C1 C2 1.390(3) . ?
C2 C3 1.381(3) . ?
C3 C4 1.380(3) . ?
C4 C5 1.376(3) . ?
C6 C7 1.393(3) . ?
C6 C11 1.394(3) . ?
C7 C8 1.377(3) . ?
C8 C9 1.386(3) . ?
C9 C10 1.378(3) . ?
C10 C11 1.384(3) . ?
C12 C13 1.394(3) . ?
C12 C17 1.389(3) . ?
C13 C14 1.391(3) . ?
C14 C15 1.366(4) . ?
C15 C16 1.372(4) . ?
C16 C17 1.392(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
Cl1 Zn1 Cl1 118.24(3) . 2_755 ?
N1 Zn1 Cl1 97.27(5) . 2_755 ?
N1 Zn1 Cl1 97.27(5) 2_755 . ?
N1 Zn1 Cl1 100.20(5) . . ?
N1 Zn1 Cl1 100.20(5) 2_755 2_755 ?
N1 Zn1 N1 145.58(10) 2_755 . ?
C6 P1 C1 101.02(9) . . ?
C6 P1 C12 103.34(10) . . ?
C12 P1 C1 99.79(10) . . ?
C1 N1 Zn1 124.29(14) . . ?
C5 N1 Zn1 116.04(14) . . ?
C5 N1 C1 118.37(18) . . ?
N1 C1 P1 114.57(15) . . ?
N1 C1 C2 121.2(2) . . ?
C2 C1 P1 124.24(17) . . ?
C3 C2 C1 119.8(2) . . ?
C4 C3 C2 118.7(2) . . ?
C5 C4 C3 119.0(2) . . ?
N1 C5 C4 122.9(2) . . ?
C7 C6 P1 118.57(16) . . ?
C7 C6 C11 118.4(2) . . ?
C11 C6 P1 122.76(17) . . ?
C8 C7 C6 121.0(2) . . ?
C7 C8 C9 120.2(2) . . ?
C10 C9 C8 119.5(2) . . ?
C9 C10 C11 120.6(2) . . ?
C10 C11 C6 120.3(2) . . ?
C13 C12 P1 125.04(18) . . ?
C17 C12 P1 116.50(18) . . ?
C17 C12 C13 118.5(2) . . ?
C14 C13 C12 120.7(2) . . ?
C15 C14 C13 120.1(3) . . ?
C14 C15 C16 120.1(3) . . ?
C15 C16 C17 120.7(3) . . ?
C12 C17 C16 120.0(3) . . ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zn1 N1 C1 P1 -12.8(2) . . . . ?
Zn1 N1 C1 C2 166.38(16) . . . . ?
Zn1 N1 C5 C4 -166.52(18) . . . . ?
P1 C1 C2 C3 178.24(18) . . . . ?
P1 C6 C7 C8 -176.76(17) . . . . ?
P1 C6 C11 C10 175.44(17) . . . . ?
P1 C12 C13 C14 177.95(18) . . . . ?
P1 C12 C17 C16 -178.9(2) . . . . ?
N1 C1 C2 C3 -0.9(3) . . . . ?
C1 P1 C6 C7 -158.65(17) . . . . ?
C1 P1 C6 C11 27.3(2) . . . . ?
C1 P1 C12 C13 91.8(2) . . . . ?
C1 P1 C12 C17 -88.62(18) . . . . ?
C1 N1 C5 C4 1.0(3) . . . . ?
C1 C2 C3 C4 0.9(4) . . . . ?
C2 C3 C4 C5 0.0(4) . . . . ?
C3 C4 C5 N1 -1.0(4) . . . . ?
C5 N1 C1 P1 -179.27(16) . . . . ?
C5 N1 C1 C2 -0.1(3) . . . . ?
C6 P1 C1 N1 -120.19(16) . . . . ?
C6 P1 C1 C2 60.6(2) . . . . ?
C6 P1 C12 C13 -12.1(2) . . . . ?
C6 P1 C12 C17 167.47(17) . . . . ?
C6 C7 C8 C9 1.5(3) . . . . ?
C7 C6 C11 C10 1.4(3) . . . . ?
C7 C8 C9 C10 0.6(4) . . . . ?
C8 C9 C10 C11 -1.7(4) . . . . ?
C9 C10 C11 C6 0.7(4) . . . . ?
C11 C6 C7 C8 -2.4(3) . . . . ?
C12 P1 C1 N1 134.01(16) . . . . ?
C12 P1 C1 C2 -45.2(2) . . . . ?
C12 P1 C6 C7 -55.69(19) . . . . ?
C12 P1 C6 C11 130.26(19) . . . . ?
C12 C13 C14 C15 1.0(4) . . . . ?
C13 C12 C17 C16 0.7(3) . . . . ?
C13 C14 C15 C16 0.6(4) . . . . ?
C14 C15 C16 C17 -1.5(4) . . . . ?
C15 C16 C17 C12 0.9(4) . . . . ?
C17 C12 C13 C14 -1.6(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2'
####################################################################### 
# 
# 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_Compound_1
_database_code_depnum_ccdc_archive 'CCDC 1029656'
#Added by publCIF



_audit_update_record             
;
2014-10-17 deposited with the CCDC.
2015-12-04 downloaded from the CCDC.
;
# publcif _publ_body_element loop end
_audit_creation_date             2014-10-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        
'dichloro[phenyldi(2-pyridyl)phosphine-2-N,N]zinc(II) '
_chemical_formula_moiety         '2(C16 H13 Cl2 N2 P Zn), C4 H8 O'
_chemical_formula_sum            'C36 H34 Cl4 N4 O P2 Zn2'
_chemical_formula_weight         873.15
_chemical_melting_point          542-544
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'
P P 0.1023 0.0942 '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'
Zn Zn 0.2839 1.4301 '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'

_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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.0669(5)
_cell_length_b                   12.2540(4)
_cell_length_c                   19.5763(7)
_cell_angle_alpha                90
_cell_angle_beta                 98.966(2)
_cell_angle_gamma                90
_cell_volume                     3807.2(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6463
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.12
_cell_measurement_theta_min      2.29
_shelx_estimated_absorpt_T_max   0.812
_shelx_estimated_absorpt_T_min   0.492
_exptl_absorpt_coefficient_mu    1.660
_exptl_absorpt_correction_T_max  0.8119
_exptl_absorpt_correction_T_min  0.4150
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker, SADABS'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1776
_exptl_crystal_size_max          0.498
_exptl_crystal_size_mid          0.136
_exptl_crystal_size_min          0.131
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0820
_diffrn_reflns_av_unetI/netI     0.0747
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            58715
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.604
_diffrn_reflns_theta_min         1.967
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7059
_reflns_number_total             11623
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.057
_refine_diff_density_min         -0.975
_refine_diff_density_rms         0.123
_refine_ls_extinction_coef       .
_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     428
_refine_ls_number_reflns         11623
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1165
_refine_ls_R_factor_gt           0.0629
_refine_ls_restrained_S_all      1.071
_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)+(0.0515P)²+13.9109P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1515
_refine_ls_wR_factor_ref         0.1727
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O1) = Uanis(C33) = Uanis(C34) = Uanis(C35) = Uanis(C36) = Uanis(O1A) =
Uanis(C34A) = Uanis(C35A)
3. Others
 Sof(H33C)=Sof(H33D)=Sof(O1A)=Sof(C34A)=Sof(H34C)=Sof(H34D)=Sof(C35A)=
 Sof(H35C)=Sof(H35D)=Sof(H36C)=Sof(H36D)=1-FVAR(1)
 Sof(H33A)=Sof(H33B)=Sof(O1)=Sof(C34)=Sof(H34A)=Sof(H34B)=Sof(C35)=Sof(H35A)=
 Sof(H35B)=Sof(H36A)=Sof(H36B)=FVAR(1)
4.a Secondary CH2 refined with riding coordinates:
 C33(H33A,H33B), C33(H33C,H33D), C34(H34A,H34B), C35(H35A,H35B), C34A(H34C,
 H34D), C35A(H35C,H35D), C36(H36A,H36B), C36(H36C,H36D)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10),
 C12(H12), C13(H13), C14(H14), C15(H15), C18(H18), C19(H19), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C28(H28), C29(H29),
 C30(H30), C31(H31)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Zn1 Zn 0.86527(3) 0.26583(5) 0.17009(3) 0.02910(14) Uani 1 1 d . . . . .
Zn2 Zn 0.44469(3) 0.21689(4) 0.11329(3) 0.02565(13) Uani 1 1 d . . . . .
P1 P 1.02815(7) 0.32497(10) 0.28893(6) 0.0259(2) Uani 1 1 d . . . . .
P2 P 0.54101(7) 0.26302(9) 0.27111(6) 0.0234(2) Uani 1 1 d . . . . .
Cl1 Cl 0.95163(8) 0.25707(11) 0.09292(6) 0.0390(3) Uani 1 1 d . . . . .
Cl2 Cl 0.72953(8) 0.23128(12) 0.13944(6) 0.0415(3) Uani 1 1 d . . . . .
Cl3 Cl 0.43808(8) 0.19293(11) 0.00036(6) 0.0361(3) Uani 1 1 d . . . . .
Cl4 Cl 0.32654(8) 0.20663(11) 0.15892(6) 0.0387(3) Uani 1 1 d . . . . .
N1 N 0.9041(2) 0.1726(3) 0.25720(19) 0.0257(8) Uani 1 1 d . . . . .
N2 N 0.8785(2) 0.4100(3) 0.22477(19) 0.0261(8) Uani 1 1 d . . . . .
N3 N 0.5067(2) 0.3591(3) 0.14332(18) 0.0244(8) Uani 1 1 d . . . . .
N4 N 0.5345(2) 0.1161(3) 0.16491(18) 0.0245(8) Uani 1 1 d . . . . .
C1 C 1.0837(3) 0.3591(4) 0.3746(2) 0.0283(10) Uani 1 1 d . . . . .
C2 C 1.0464(3) 0.3633(4) 0.4345(2) 0.0337(11) Uani 1 1 d . . . . .
H2 H 0.9880 0.3481 0.4320 0.040 Uiso 1 1 calc R . . . .
C3 C 1.0942(4) 0.3896(5) 0.4973(3) 0.0429(13) Uani 1 1 d . . . . .
H3 H 1.0686 0.3915 0.5379 0.051 Uiso 1 1 calc R . . . .
C4 C 1.1794(4) 0.4133(4) 0.5015(3) 0.0423(13) Uani 1 1 d . . . . .
H4 H 1.2120 0.4312 0.5448 0.051 Uiso 1 1 calc R . . . .
C5 C 1.2161(3) 0.4105(5) 0.4428(3) 0.0416(13) Uani 1 1 d . . . . .
H5 H 1.2743 0.4274 0.4456 0.050 Uiso 1 1 calc R . . . .
C6 C 1.1694(3) 0.3834(4) 0.3791(3) 0.0346(11) Uani 1 1 d . . . . .
H6 H 1.1957 0.3814 0.3389 0.042 Uiso 1 1 calc R . . . .
C7 C 0.8626(3) 0.0787(4) 0.2653(3) 0.0344(11) Uani 1 1 d . . . . .
H7 H 0.8146 0.0612 0.2324 0.041 Uiso 1 1 calc R . . . .
C8 C 0.8864(4) 0.0076(4) 0.3187(3) 0.0405(12) Uani 1 1 d . . . . .
H8 H 0.8554 -0.0573 0.3231 0.049 Uiso 1 1 calc R . . . .
C9 C 0.9568(4) 0.0330(4) 0.3658(3) 0.0420(13) Uani 1 1 d . . . . .
H9 H 0.9764 -0.0166 0.4021 0.050 Uiso 1 1 calc R . . . .
C10 C 0.9988(3) 0.1302(4) 0.3604(3) 0.0362(11) Uani 1 1 d . . . . .
H10 H 1.0463 0.1491 0.3936 0.043 Uiso 1 1 calc R . . . .
C11 C 0.9705(3) 0.2005(4) 0.3053(2) 0.0274(9) Uani 1 1 d . . . . .
C12 C 0.8171(3) 0.4857(4) 0.2107(2) 0.0318(10) Uani 1 1 d . . . . .
H12 H 0.7713 0.4717 0.1748 0.038 Uiso 1 1 calc R . . . .
C13 C 0.8186(3) 0.5826(4) 0.2469(3) 0.0358(11) Uani 1 1 d . . . . .
H13 H 0.7750 0.6350 0.2359 0.043 Uiso 1 1 calc R . . . .
C14 C 0.8850(3) 0.6018(4) 0.2993(3) 0.0332(11) Uani 1 1 d . . . . .
H14 H 0.8877 0.6681 0.3246 0.040 Uiso 1 1 calc R . . . .
C15 C 0.9475(3) 0.5245(4) 0.3148(2) 0.0284(10) Uani 1 1 d . . . . .
H15 H 0.9934 0.5373 0.3508 0.034 Uiso 1 1 calc R . . . .
C16 C 0.9428(3) 0.4277(4) 0.2773(2) 0.0240(9) Uani 1 1 d . . . . .
C17 C 0.6315(3) 0.2895(4) 0.3375(2) 0.0246(9) Uani 1 1 d . . . . .
C18 C 0.6159(3) 0.3064(4) 0.4044(2) 0.0331(11) Uani 1 1 d . . . . .
H18 H 0.5596 0.3039 0.4135 0.040 Uiso 1 1 calc R . . . .
C19 C 0.6803(4) 0.3265(5) 0.4578(3) 0.0444(14) Uani 1 1 d . . . . .
H19 H 0.6681 0.3393 0.5030 0.053 Uiso 1 1 calc R . . . .
C20 C 0.7625(4) 0.3281(4) 0.4459(3) 0.0421(13) Uani 1 1 d . . . . .
H20 H 0.8071 0.3412 0.4829 0.051 Uiso 1 1 calc R . . . .
C21 C 0.7799(3) 0.3104(4) 0.3793(3) 0.0377(12) Uani 1 1 d . . . . .
H21 H 0.8366 0.3109 0.3710 0.045 Uiso 1 1 calc R . . . .
C22 C 0.7142(3) 0.2917(4) 0.3246(2) 0.0276(9) Uani 1 1 d . . . . .
H22 H 0.7261 0.2807 0.2790 0.033 Uiso 1 1 calc R . . . .
C23 C 0.5060(3) 0.4413(4) 0.0978(2) 0.0355(11) Uani 1 1 d . . . . .
H23 H 0.4770 0.4308 0.0521 0.043 Uiso 1 1 calc R . . . .
C24 C 0.5448(3) 0.5392(4) 0.1140(3) 0.0368(11) Uani 1 1 d . . . . .
H24 H 0.5416 0.5961 0.0807 0.044 Uiso 1 1 calc R . . . .
C25 C 0.5887(3) 0.5537(4) 0.1800(3) 0.0321(10) Uani 1 1 d . . . . .
H25 H 0.6162 0.6209 0.1928 0.038 Uiso 1 1 calc R . . . .
C26 C 0.5923(3) 0.4692(4) 0.2270(2) 0.0270(9) Uani 1 1 d . . . . .
H26 H 0.6226 0.4778 0.2724 0.032 Uiso 1 1 calc R . . . .
C27 C 0.5511(3) 0.3710(4) 0.2076(2) 0.0234(9) Uani 1 1 d . . . . .
C28 C 0.5536(3) 0.0221(4) 0.1349(2) 0.0291(10) Uani 1 1 d . . . . .
H28 H 0.5298 0.0092 0.0881 0.035 Uiso 1 1 calc R . . . .
C29 C 0.6061(3) -0.0561(4) 0.1689(3) 0.0318(10) Uani 1 1 d . . . . .
H29 H 0.6174 -0.1219 0.1464 0.038 Uiso 1 1 calc R . . . .
C30 C 0.6418(3) -0.0367(4) 0.2365(3) 0.0321(10) Uani 1 1 d . . . . .
H30 H 0.6764 -0.0902 0.2621 0.039 Uiso 1 1 calc R . . . .
C31 C 0.6263(3) 0.0623(4) 0.2668(2) 0.0283(10) Uani 1 1 d . . . . .
H31 H 0.6523 0.0782 0.3127 0.034 Uiso 1 1 calc R . . . .
C32 C 0.5730(3) 0.1378(4) 0.2299(2) 0.0231(8) Uani 1 1 d . . . . .
C33 C 0.7596(7) 0.6222(8) 0.0296(5) 0.1032(17) Uani 1 1 d . . . . .
H33A H 0.7974 0.6479 0.0713 0.124 Uiso 0.694(8) 1 calc R . P A 1
H33B H 0.7244 0.6849 0.0109 0.124 Uiso 0.694(8) 1 calc R . P A 1
H33C H 0.7562 0.6188 0.0796 0.124 Uiso 0.306(8) 1 calc R . P A 2
H33D H 0.7640 0.6989 0.0147 0.124 Uiso 0.306(8) 1 calc R . P A 2
O1 O 0.7072(7) 0.5425(8) 0.0496(6) 0.1032(17) Uani 0.694(8) 1 d . . P A 1
C34 C 0.8099(11) 0.5898(12) -0.0204(9) 0.1032(17) Uani 0.694(8) 1 d . . P A 1
H34A H 0.8688 0.5748 0.0008 0.124 Uiso 0.694(8) 1 calc R . P A 1
H34B H 0.8091 0.6449 -0.0575 0.124 Uiso 0.694(8) 1 calc R . P A 1
C35 C 0.7622(11) 0.4835(12) -0.0471(9) 0.1032(17) Uani 0.694(8) 1 d . . P A 1
H35A H 0.7266 0.4969 -0.0924 0.124 Uiso 0.694(8) 1 calc R . P A 1
H35B H 0.8029 0.4248 -0.0529 0.124 Uiso 0.694(8) 1 calc R . P A 1
O1A O 0.6872(15) 0.5585(17) -0.0155(13) 0.1032(17) Uani 0.306(8) 1 d . . P A 2
C34A C 0.845(2) 0.532(3) 0.004(2) 0.1032(17) Uani 0.306(8) 1 d . . P A 2
H34C H 0.8650 0.5592 -0.0378 0.124 Uiso 0.306(8) 1 calc R . P A 2
H34D H 0.8929 0.5250 0.0423 0.124 Uiso 0.306(8) 1 calc R . P A 2
C35A C 0.808(2) 0.451(3) -0.006(2) 0.1032(17) Uani 0.306(8) 1 d . . P A 2
H35C H 0.8355 0.3956 0.0269 0.124 Uiso 0.306(8) 1 calc R . P A 2
H35D H 0.8126 0.4260 -0.0530 0.124 Uiso 0.306(8) 1 calc R . P A 2
C36 C 0.7131(7) 0.4537(8) 0.0011(5) 0.1032(17) Uani 1 1 d . . . . .
H36A H 0.7378 0.3886 0.0266 0.124 Uiso 0.694(8) 1 calc R . P A 1
H36B H 0.6560 0.4343 -0.0225 0.124 Uiso 0.694(8) 1 calc R . P A 1
H36C H 0.6810 0.4009 -0.0311 0.124 Uiso 0.306(8) 1 calc R . P A 2
H36D H 0.7050 0.4356 0.0489 0.124 Uiso 0.306(8) 1 calc R . P A 2


_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
Zn1 Cl1 2.2073(14) . ?
Zn1 Cl2 2.2109(13) . ?
Zn1 N1 2.067(4) . ?
Zn1 N2 2.060(4) . ?
Zn2 Cl3 2.2161(12) . ?
Zn2 Cl4 2.2239(13) . ?
Zn2 N3 2.048(4) . ?
Zn2 N4 2.043(4) . ?
P1 C1 1.821(5) . ?
P1 C11 1.839(5) . ?
P1 C16 1.849(5) . ?
P2 C17 1.822(4) . ?
P2 C27 1.839(5) . ?
P2 C32 1.844(4) . ?
N1 C7 1.352(6) . ?
N1 C11 1.353(6) . ?
N2 C12 1.351(6) . ?
N2 C16 1.356(5) . ?
N3 C23 1.344(6) . ?
N3 C27 1.355(5) . ?
N4 C28 1.350(6) . ?
N4 C32 1.351(5) . ?
C1 C2 1.398(7) . ?
C1 C6 1.398(7) . ?
C2 C3 1.384(7) . ?
C3 C4 1.388(8) . ?
C4 C5 1.373(8) . ?
C5 C6 1.391(7) . ?
C7 C8 1.367(7) . ?
C8 C9 1.378(8) . ?
C9 C10 1.382(7) . ?
C10 C11 1.398(7) . ?
C12 C13 1.381(7) . ?
C13 C14 1.380(7) . ?
C14 C15 1.379(7) . ?
C15 C16 1.391(6) . ?
C17 C18 1.385(6) . ?
C17 C22 1.392(6) . ?
C18 C19 1.373(7) . ?
C19 C20 1.377(8) . ?
C20 C21 1.391(8) . ?
C21 C22 1.401(6) . ?
C23 C24 1.367(7) . ?
C24 C25 1.384(7) . ?
C25 C26 1.381(6) . ?
C26 C27 1.397(6) . ?
C28 C29 1.377(7) . ?
C29 C30 1.378(7) . ?
C30 C31 1.389(7) . ?
C31 C32 1.385(6) . ?
C33 O1 1.385(13) . ?
C33 C34 1.420(16) . ?
C33 O1A 1.56(2) . ?
C33 C34A 1.88(4) . ?
O1 C36 1.458(12) . ?
C34 C35 1.561(19) . ?
C35 C36 1.370(16) . ?
O1A C36 1.37(2) . ?
C34A C35A 1.16(4) . ?
C35A C36 1.55(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
Cl1 Zn1 Cl2 120.25(5) . . ?
N1 Zn1 Cl1 113.37(11) . . ?
N1 Zn1 Cl2 106.03(11) . . ?
N2 Zn1 Cl1 111.85(11) . . ?
N2 Zn1 Cl2 108.85(11) . . ?
N2 Zn1 N1 92.98(14) . . ?
Cl3 Zn2 Cl4 118.82(5) . . ?
N3 Zn2 Cl3 110.16(11) . . ?
N3 Zn2 Cl4 109.92(11) . . ?
N4 Zn2 Cl3 109.49(11) . . ?
N4 Zn2 Cl4 110.38(11) . . ?
N4 Zn2 N3 95.61(15) . . ?
C1 P1 C11 102.6(2) . . ?
C1 P1 C16 101.8(2) . . ?
C11 P1 C16 101.7(2) . . ?
C17 P2 C27 102.1(2) . . ?
C17 P2 C32 102.4(2) . . ?
C27 P2 C32 104.03(19) . . ?
C7 N1 Zn1 118.5(3) . . ?
C7 N1 C11 118.9(4) . . ?
C11 N1 Zn1 122.6(3) . . ?
C12 N2 Zn1 118.0(3) . . ?
C12 N2 C16 119.4(4) . . ?
C16 N2 Zn1 122.4(3) . . ?
C23 N3 Zn2 119.6(3) . . ?
C23 N3 C27 119.0(4) . . ?
C27 N3 Zn2 121.4(3) . . ?
C28 N4 Zn2 119.5(3) . . ?
C28 N4 C32 118.4(4) . . ?
C32 N4 Zn2 122.1(3) . . ?
C2 C1 P1 124.6(4) . . ?
C2 C1 C6 119.1(4) . . ?
C6 C1 P1 116.3(4) . . ?
C3 C2 C1 120.2(5) . . ?
C2 C3 C4 120.4(5) . . ?
C5 C4 C3 119.6(5) . . ?
C4 C5 C6 120.9(5) . . ?
C5 C6 C1 119.7(5) . . ?
N1 C7 C8 123.2(5) . . ?
C7 C8 C9 118.0(5) . . ?
C8 C9 C10 120.2(5) . . ?
C9 C10 C11 119.0(5) . . ?
N1 C11 P1 116.9(3) . . ?
N1 C11 C10 120.5(4) . . ?
C10 C11 P1 122.2(4) . . ?
N2 C12 C13 122.1(4) . . ?
C14 C13 C12 118.5(5) . . ?
C15 C14 C13 119.9(5) . . ?
C14 C15 C16 119.4(4) . . ?
N2 C16 P1 116.6(3) . . ?
N2 C16 C15 120.6(4) . . ?
C15 C16 P1 122.5(3) . . ?
C18 C17 P2 117.4(4) . . ?
C18 C17 C22 119.1(4) . . ?
C22 C17 P2 123.5(3) . . ?
C19 C18 C17 121.4(5) . . ?
C18 C19 C20 120.1(5) . . ?
C19 C20 C21 119.6(5) . . ?
C20 C21 C22 120.3(5) . . ?
C17 C22 C21 119.4(4) . . ?
N3 C23 C24 123.2(5) . . ?
C23 C24 C25 118.5(5) . . ?
C26 C25 C24 119.3(4) . . ?
C25 C26 C27 119.7(4) . . ?
N3 C27 P2 117.5(3) . . ?
N3 C27 C26 120.2(4) . . ?
C26 C27 P2 121.6(3) . . ?
N4 C28 C29 123.1(4) . . ?
C28 C29 C30 118.4(4) . . ?
C29 C30 C31 119.0(4) . . ?
C32 C31 C30 119.8(4) . . ?
N4 C32 P2 117.3(3) . . ?
N4 C32 C31 121.0(4) . . ?
C31 C32 P2 121.3(3) . . ?
O1 C33 C34 115.8(10) . . ?
O1A C33 C34A 93.8(15) . . ?
C33 O1 C36 103.8(9) . . ?
C33 C34 C35 99.3(11) . . ?
C36 C35 C34 107.3(12) . . ?
C36 O1A C33 99.3(17) . . ?
C35A C34A C33 100(3) . . ?
C34A C35A C36 117(3) . . ?
C35 C36 O1 110.7(10) . . ?
O1A C36 C35A 105.4(18) . . ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zn1 N1 C7 C8 175.7(4) . . . . ?
Zn1 N1 C11 P1 -1.7(5) . . . . ?
Zn1 N1 C11 C10 -174.6(4) . . . . ?
Zn1 N2 C12 C13 177.0(4) . . . . ?
Zn1 N2 C16 P1 9.5(5) . . . . ?
Zn1 N2 C16 C15 -177.3(3) . . . . ?
Zn2 N3 C23 C24 179.1(4) . . . . ?
Zn2 N3 C27 P2 -8.8(5) . . . . ?
Zn2 N3 C27 C26 -179.4(3) . . . . ?
Zn2 N4 C28 C29 -172.4(4) . . . . ?
Zn2 N4 C32 P2 0.3(5) . . . . ?
Zn2 N4 C32 C31 172.4(3) . . . . ?
P1 C1 C2 C3 179.7(4) . . . . ?
P1 C1 C6 C5 179.8(4) . . . . ?
P2 C17 C18 C19 179.8(4) . . . . ?
P2 C17 C22 C21 -178.5(4) . . . . ?
N1 C7 C8 C9 -0.7(8) . . . . ?
N2 C12 C13 C14 -0.5(8) . . . . ?
N3 C23 C24 C25 1.6(8) . . . . ?
N4 C28 C29 C30 -1.0(7) . . . . ?
C1 P1 C11 N1 160.6(3) . . . . ?
C1 P1 C11 C10 -26.7(5) . . . . ?
C1 P1 C16 N2 -165.9(3) . . . . ?
C1 P1 C16 C15 21.1(4) . . . . ?
C1 C2 C3 C4 0.7(8) . . . . ?
C2 C1 C6 C5 0.4(7) . . . . ?
C2 C3 C4 C5 0.0(8) . . . . ?
C3 C4 C5 C6 -0.6(8) . . . . ?
C4 C5 C6 C1 0.4(8) . . . . ?
C6 C1 C2 C3 -1.0(7) . . . . ?
C7 N1 C11 P1 176.6(3) . . . . ?
C7 N1 C11 C10 3.7(7) . . . . ?
C7 C8 C9 C10 3.1(8) . . . . ?
C8 C9 C10 C11 -2.0(8) . . . . ?
C9 C10 C11 P1 -173.9(4) . . . . ?
C9 C10 C11 N1 -1.5(7) . . . . ?
C11 P1 C1 C2 -48.5(5) . . . . ?
C11 P1 C1 C6 132.2(4) . . . . ?
C11 P1 C16 N2 -60.2(4) . . . . ?
C11 P1 C16 C15 126.8(4) . . . . ?
C11 N1 C7 C8 -2.7(7) . . . . ?
C12 N2 C16 P1 -175.7(3) . . . . ?
C12 N2 C16 C15 -2.5(6) . . . . ?
C12 C13 C14 C15 -0.5(8) . . . . ?
C13 C14 C15 C16 -0.1(7) . . . . ?
C14 C15 C16 P1 174.3(4) . . . . ?
C14 C15 C16 N2 1.6(7) . . . . ?
C16 P1 C1 C2 56.5(5) . . . . ?
C16 P1 C1 C6 -122.9(4) . . . . ?
C16 P1 C11 N1 55.5(4) . . . . ?
C16 P1 C11 C10 -131.8(4) . . . . ?
C16 N2 C12 C13 2.0(7) . . . . ?
C17 P2 C27 N3 163.5(3) . . . . ?
C17 P2 C27 C26 -26.0(4) . . . . ?
C17 P2 C32 N4 -158.2(3) . . . . ?
C17 P2 C32 C31 29.8(4) . . . . ?
C17 C18 C19 C20 -1.4(8) . . . . ?
C18 C17 C22 C21 0.3(7) . . . . ?
C18 C19 C20 C21 0.7(8) . . . . ?
C19 C20 C21 C22 0.4(8) . . . . ?
C20 C21 C22 C17 -0.9(7) . . . . ?
C22 C17 C18 C19 0.9(7) . . . . ?
C23 N3 C27 P2 173.4(4) . . . . ?
C23 N3 C27 C26 2.8(7) . . . . ?
C23 C24 C25 C26 0.2(8) . . . . ?
C24 C25 C26 C27 -0.4(7) . . . . ?
C25 C26 C27 P2 -171.3(4) . . . . ?
C25 C26 C27 N3 -1.1(7) . . . . ?
C27 P2 C17 C18 123.8(4) . . . . ?
C27 P2 C17 C22 -57.4(4) . . . . ?
C27 P2 C32 N4 -52.2(4) . . . . ?
C27 P2 C32 C31 135.8(4) . . . . ?
C27 N3 C23 C24 -3.1(8) . . . . ?
C28 N4 C32 P2 -176.6(3) . . . . ?
C28 N4 C32 C31 -4.5(6) . . . . ?
C28 C29 C30 C31 -2.6(7) . . . . ?
C29 C30 C31 C32 2.6(7) . . . . ?
C30 C31 C32 P2 172.8(4) . . . . ?
C30 C31 C32 N4 1.0(7) . . . . ?
C32 P2 C17 C18 -128.7(4) . . . . ?
C32 P2 C17 C22 50.1(4) . . . . ?
C32 P2 C27 N3 57.2(4) . . . . ?
C32 P2 C27 C26 -132.3(4) . . . . ?
C32 N4 C28 C29 4.6(7) . . . . ?
C33 O1 C36 C35 -3.7(16) . . . . ?
C33 C34 C35 C36 -17.4(18) . . . . ?
C33 O1A C36 C35A -48(2) . . . . ?
C33 C34A C35A C36 3(4) . . . . ?
O1 C33 C34 C35 16.3(18) . . . . ?
C34 C33 O1 C36 -9.3(16) . . . . ?
C34 C35 C36 O1 13.5(18) . . . . ?
O1A C33 C34A C35A -29(3) . . . . ?
C34A C33 O1A C36 44.5(18) . . . . ?
C34A C35A C36 O1A 29(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2/pentane'
