# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2017

####################################################################### 
# 
# 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_r2717
_database_code_depnum_ccdc_archive 'CCDC 1543220'
_audit_update_record             
;
2017-04-10 deposited with the CCDC.
2017-10-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C54 H44 Cu2 N2 P4 S2'
_chemical_formula_sum            'C54 H44 Cu2 N2 P4 S2'
_chemical_formula_weight         1035.99

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+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                   28.3225(15)
_cell_length_b                   9.7812(5)
_cell_length_c                   18.6050(9)
_cell_angle_alpha                90
_cell_angle_beta                 110.718(2)
_cell_angle_gamma                90
_cell_volume                     4820.8(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8990
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      30.56

_exptl_crystal_description       Plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_F_000             2128
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.261
_exptl_crystal_size_mid          0.212
_exptl_crystal_size_min          0.072
_exptl_absorpt_coefficient_mu    1.141
_shelx_estimated_absorpt_T_min   0.755
_shelx_estimated_absorpt_T_max   0.922
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7252
_exptl_absorpt_correction_T_max  0.8024
_exptl_absorpt_process_details   'SADABS V2016/2 (Bruker AXS Inc.)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            70850
_diffrn_reflns_av_unetI/netI     0.0560
_diffrn_reflns_av_R_equivalents  0.0719
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.537
_diffrn_reflns_theta_max         36.441
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             11709
_reflns_number_gt                7913
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXT-2013 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
  
All  H atoms were positioned geometrically and refined using a 
riding model with C---H = 0.95--0.99 Å and with Uiso(H) 
= 1.2 (1.5 for methyl groups) times Ueq(C). 
  
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0352P)²+3.8396P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11709
_refine_ls_number_parameters     289
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0803
_refine_ls_R_factor_gt           0.0420
_refine_ls_wR_factor_ref         0.0960
_refine_ls_wR_factor_gt          0.0817
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
Cu1 Cu 0.32229(2) 0.32685(2) 0.62014(2) 0.01510(5) Uani 1 1 d . . . . .
S1 S 0.25253(2) 0.04597(4) 0.40537(2) 0.02184(8) Uani 1 1 d . . . . .
P1 P 0.34893(2) 0.28193(4) 0.74698(2) 0.01441(7) Uani 1 1 d . . . . .
P2 P 0.39424(2) 0.44001(4) 0.63471(2) 0.01454(7) Uani 1 1 d . . . . .
N1 N 0.30802(5) 0.18913(14) 0.53926(7) 0.0182(2) Uani 1 1 d . . . . .
C1 C 0.40781(6) 0.37754(16) 0.78529(8) 0.0174(3) Uani 1 1 d . . . . .
H1 H 0.4252 0.3814 0.8393 0.021 Uiso 1 1 calc R U . . .
C2 C 0.42667(6) 0.44181(16) 0.73865(8) 0.0173(3) Uani 1 1 d . . . . .
H2 H 0.4577 0.4897 0.7598 0.021 Uiso 1 1 calc R U . . .
C3 C 0.28527(5) 0.13061(16) 0.48370(8) 0.0157(3) Uani 1 1 d . . . . .
C4 C 0.31258(6) 0.34673(17) 0.80257(9) 0.0195(3) Uani 1 1 d . . . . .
C5 C 0.32166(8) 0.4742(2) 0.83711(12) 0.0324(4) Uani 1 1 d . . . . .
H5 H 0.3495 0.5269 0.8359 0.039 Uiso 1 1 calc R U . . .
C6 C 0.29017(9) 0.5253(2) 0.87357(13) 0.0444(6) Uani 1 1 d . . . . .
H6 H 0.2968 0.6123 0.8978 0.053 Uiso 1 1 calc R U . . .
C7 C 0.24950(9) 0.4501(3) 0.87457(12) 0.0429(6) Uani 1 1 d . . . . .
H7 H 0.2279 0.4855 0.8992 0.051 Uiso 1 1 calc R U . . .
C8 C 0.23987(9) 0.3238(2) 0.84009(14) 0.0411(5) Uani 1 1 d . . . . .
H8 H 0.2117 0.2721 0.8411 0.049 Uiso 1 1 calc R U . . .
C9 C 0.27109(7) 0.2717(2) 0.80380(12) 0.0314(4) Uani 1 1 d . . . . .
H9 H 0.2642 0.1846 0.7797 0.038 Uiso 1 1 calc R U . . .
C10 C 0.36825(6) 0.10999(16) 0.78383(8) 0.0157(3) Uani 1 1 d . . . . .
C11 C 0.37083(7) 0.06509(18) 0.85623(9) 0.0221(3) Uani 1 1 d . . . . .
H11 H 0.3624 0.1257 0.8898 0.027 Uiso 1 1 calc R U . . .
C12 C 0.38558(7) -0.06743(19) 0.87933(10) 0.0270(4) Uani 1 1 d . . . . .
H12 H 0.3869 -0.0978 0.9285 0.032 Uiso 1 1 calc R U . . .
C13 C 0.39843(7) -0.15583(18) 0.83131(10) 0.0261(4) Uani 1 1 d . . . . .
H13 H 0.4086 -0.2467 0.8475 0.031 Uiso 1 1 calc R U . . .
C14 C 0.39642(7) -0.11176(18) 0.75943(10) 0.0266(4) Uani 1 1 d . . . . .
H14 H 0.4057 -0.1719 0.7266 0.032 Uiso 1 1 calc R U . . .
C15 C 0.38077(6) 0.02042(17) 0.73563(9) 0.0211(3) Uani 1 1 d . . . . .
H15 H 0.3786 0.0498 0.6859 0.025 Uiso 1 1 calc R U . . .
C16 C 0.43965(6) 0.35249(16) 0.60171(9) 0.0166(3) Uani 1 1 d . . . . .
C17 C 0.46460(6) 0.23602(16) 0.63997(9) 0.0191(3) Uani 1 1 d . . . . .
H17 H 0.4596 0.2062 0.6853 0.023 Uiso 1 1 calc R U . . .
C18 C 0.49668(6) 0.16353(18) 0.61234(10) 0.0239(3) Uani 1 1 d . . . . .
H18 H 0.5140 0.0854 0.6393 0.029 Uiso 1 1 calc R U . . .
C19 C 0.50358(6) 0.20485(19) 0.54537(10) 0.0246(3) Uani 1 1 d . . . . .
H19 H 0.5251 0.1544 0.5260 0.029 Uiso 1 1 calc R U . . .
C20 C 0.47899(7) 0.31942(19) 0.50729(10) 0.0255(3) Uani 1 1 d . . . . .
H20 H 0.4840 0.3486 0.4618 0.031 Uiso 1 1 calc R U . . .
C21 C 0.44691(6) 0.39281(18) 0.53450(9) 0.0216(3) Uani 1 1 d . . . . .
H21 H 0.4298 0.4709 0.5072 0.026 Uiso 1 1 calc R U . . .
C22 C 0.39908(6) 0.61688(16) 0.60821(8) 0.0163(3) Uani 1 1 d . . . . .
C23 C 0.44498(6) 0.68620(17) 0.62920(9) 0.0206(3) Uani 1 1 d . . . . .
H23 H 0.4754 0.6400 0.6574 0.025 Uiso 1 1 calc R U . . .
C24 C 0.44645(7) 0.82209(18) 0.60913(10) 0.0253(3) Uani 1 1 d . . . . .
H24 H 0.4778 0.8692 0.6239 0.030 Uiso 1 1 calc R U . . .
C25 C 0.40188(7) 0.88935(18) 0.56719(9) 0.0250(3) Uani 1 1 d . . . . .
H25 H 0.4027 0.9828 0.5539 0.030 Uiso 1 1 calc R U . . .
C26 C 0.35639(7) 0.82033(18) 0.54491(10) 0.0250(3) Uani 1 1 d . . . . .
H26 H 0.3261 0.8660 0.5155 0.030 Uiso 1 1 calc R U . . .
C27 C 0.35490(6) 0.68455(17) 0.56543(9) 0.0201(3) Uani 1 1 d . . . . .
H27 H 0.3235 0.6376 0.5502 0.024 Uiso 1 1 calc R U . . .


_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
Cu1 N1 1.9524(13) . ?
Cu1 P2 2.2495(4) . ?
Cu1 P1 2.2520(4) . ?
Cu1 S1 2.3561(4) 7_556 ?
S1 C3 1.6472(16) . ?
S1 Cu1 2.3561(5) 7_556 ?
P1 C4 1.8124(16) . ?
P1 C1 1.8228(16) . ?
P1 C10 1.8255(16) . ?
P2 C22 1.8172(16) . ?
P2 C16 1.8228(16) . ?
P2 C2 1.8240(15) . ?
N1 C3 1.1575(19) . ?
C1 C2 1.327(2) . ?
C1 H1 0.9500 . ?
C2 H2 0.9500 . ?
C4 C5 1.384(2) . ?
C4 C9 1.393(3) . ?
C5 C6 1.391(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.373(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.374(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.386(3) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C15 1.387(2) . ?
C10 C11 1.394(2) . ?
C11 C12 1.383(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.381(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.387(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(2) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C21 1.394(2) . ?
C16 C17 1.396(2) . ?
C17 C18 1.387(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.388(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.376(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.387(2) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C27 1.390(2) . ?
C22 C23 1.394(2) . ?
C23 C24 1.385(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.392(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.382(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.387(2) . ?
C26 H26 0.9500 . ?
C27 H27 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
N1 Cu1 P2 111.35(4) . . ?
N1 Cu1 P1 125.05(4) . . ?
P2 Cu1 P1 90.936(15) . . ?
N1 Cu1 S1 106.43(4) . 7_556 ?
P2 Cu1 S1 118.442(18) . 7_556 ?
P1 Cu1 S1 104.955(16) . 7_556 ?
C3 S1 Cu1 95.59(5) . 7_556 ?
C4 P1 C1 102.90(8) . . ?
C4 P1 C10 105.25(7) . . ?
C1 P1 C10 102.40(7) . . ?
C4 P1 Cu1 118.84(5) . . ?
C1 P1 Cu1 103.33(5) . . ?
C10 P1 Cu1 121.20(5) . . ?
C22 P2 C16 103.05(7) . . ?
C22 P2 C2 102.73(7) . . ?
C16 P2 C2 102.17(7) . . ?
C22 P2 Cu1 126.00(5) . . ?
C16 P2 Cu1 116.44(5) . . ?
C2 P2 Cu1 103.15(5) . . ?
C3 N1 Cu1 158.04(12) . . ?
C2 C1 P1 120.77(11) . . ?
C2 C1 H1 119.6 . . ?
P1 C1 H1 119.6 . . ?
C1 C2 P2 121.36(12) . . ?
C1 C2 H2 119.3 . . ?
P2 C2 H2 119.3 . . ?
N1 C3 S1 179.17(16) . . ?
C5 C4 C9 119.10(16) . . ?
C5 C4 P1 122.01(14) . . ?
C9 C4 P1 118.56(13) . . ?
C4 C5 C6 120.3(2) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C7 C6 C5 120.0(2) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C7 C8 120.30(19) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C7 C8 C9 120.2(2) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C8 C9 C4 120.1(2) . . ?
C8 C9 H9 119.9 . . ?
C4 C9 H9 119.9 . . ?
C15 C10 C11 119.20(15) . . ?
C15 C10 P1 116.77(11) . . ?
C11 C10 P1 124.02(12) . . ?
C12 C11 C10 120.17(16) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C13 C12 C11 120.36(16) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C12 C13 C14 119.92(16) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 C15 119.78(16) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C10 C15 C14 120.55(15) . . ?
C10 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C21 C16 C17 118.67(15) . . ?
C21 C16 P2 120.98(12) . . ?
C17 C16 P2 120.12(12) . . ?
C18 C17 C16 120.54(16) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C17 C18 C19 120.17(16) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C20 C19 C18 119.54(16) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C19 C20 C21 120.75(16) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C20 C21 C16 120.31(16) . . ?
C20 C21 H21 119.8 . . ?
C16 C21 H21 119.8 . . ?
C27 C22 C23 119.35(15) . . ?
C27 C22 P2 118.00(12) . . ?
C23 C22 P2 122.65(12) . . ?
C24 C23 C22 120.35(16) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 119.79(17) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C26 C25 C24 120.10(16) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C27 120.09(16) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 C22 120.31(16) . . ?
C26 C27 H27 119.8 . . ?
C22 C27 H27 119.8 . . ?

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
C4 P1 C1 C2 -129.66(14) . . . . ?
C10 P1 C1 C2 121.27(14) . . . . ?
Cu1 P1 C1 C2 -5.40(15) . . . . ?
P1 C1 C2 P2 1.1(2) . . . . ?
C22 P2 C2 C1 136.08(14) . . . . ?
C16 P2 C2 C1 -117.32(14) . . . . ?
Cu1 P2 C2 C1 3.89(15) . . . . ?
C1 P1 C4 C5 23.85(16) . . . . ?
C10 P1 C4 C5 130.75(15) . . . . ?
Cu1 P1 C4 C5 -89.50(15) . . . . ?
C1 P1 C4 C9 -162.81(14) . . . . ?
C10 P1 C4 C9 -55.91(15) . . . . ?
Cu1 P1 C4 C9 83.84(14) . . . . ?
C9 C4 C5 C6 1.0(3) . . . . ?
P1 C4 C5 C6 174.33(16) . . . . ?
C4 C5 C6 C7 -0.8(3) . . . . ?
C5 C6 C7 C8 0.4(3) . . . . ?
C6 C7 C8 C9 -0.2(3) . . . . ?
C7 C8 C9 C4 0.4(3) . . . . ?
C5 C4 C9 C8 -0.8(3) . . . . ?
P1 C4 C9 C8 -174.38(16) . . . . ?
C4 P1 C10 C15 157.97(13) . . . . ?
C1 P1 C10 C15 -94.76(13) . . . . ?
Cu1 P1 C10 C15 19.40(15) . . . . ?
C4 P1 C10 C11 -21.83(16) . . . . ?
C1 P1 C10 C11 85.44(15) . . . . ?
Cu1 P1 C10 C11 -160.40(12) . . . . ?
C15 C10 C11 C12 -0.2(3) . . . . ?
P1 C10 C11 C12 179.59(14) . . . . ?
C10 C11 C12 C13 0.8(3) . . . . ?
C11 C12 C13 C14 -0.2(3) . . . . ?
C12 C13 C14 C15 -1.0(3) . . . . ?
C11 C10 C15 C14 -0.9(3) . . . . ?
P1 C10 C15 C14 179.24(14) . . . . ?
C13 C14 C15 C10 1.5(3) . . . . ?
C22 P2 C16 C21 -35.71(14) . . . . ?
C2 P2 C16 C21 -142.06(13) . . . . ?
Cu1 P2 C16 C21 106.40(13) . . . . ?
C22 P2 C16 C17 149.89(12) . . . . ?
C2 P2 C16 C17 43.54(14) . . . . ?
Cu1 P2 C16 C17 -68.00(13) . . . . ?
C21 C16 C17 C18 1.2(2) . . . . ?
P2 C16 C17 C18 175.72(12) . . . . ?
C16 C17 C18 C19 -1.2(2) . . . . ?
C17 C18 C19 C20 1.0(3) . . . . ?
C18 C19 C20 C21 -0.9(3) . . . . ?
C19 C20 C21 C16 0.9(3) . . . . ?
C17 C16 C21 C20 -1.1(2) . . . . ?
P2 C16 C21 C20 -175.53(13) . . . . ?
C16 P2 C22 C27 127.56(12) . . . . ?
C2 P2 C22 C27 -126.53(12) . . . . ?
Cu1 P2 C22 C27 -9.62(15) . . . . ?
C16 P2 C22 C23 -52.61(14) . . . . ?
C2 P2 C22 C23 53.31(15) . . . . ?
Cu1 P2 C22 C23 170.21(11) . . . . ?
C27 C22 C23 C24 1.4(2) . . . . ?
P2 C22 C23 C24 -178.41(13) . . . . ?
C22 C23 C24 C25 -0.6(3) . . . . ?
C23 C24 C25 C26 -0.7(3) . . . . ?
C24 C25 C26 C27 1.1(3) . . . . ?
C25 C26 C27 C22 -0.3(2) . . . . ?
C23 C22 C27 C26 -1.0(2) . . . . ?
P2 C22 C27 C26 178.82(13) . . . . ?

_refine_diff_density_max         0.568
_refine_diff_density_min         -0.574
_refine_diff_density_rms         0.093

