#------------------------------------------------------------------------------
#$Date: 2023-03-05 03:55:30 +0200 (Sun, 05 Mar 2023) $
#$Revision: 281625 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/85/1568583.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1568583
loop_
_publ_author_name
'Viana, Maria S.'
'Gomes, Clara S. B.'
'Rosa, Vitor'
_publ_section_title
;
 Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction:
 Counter-Ion Influence in Catalyst Efficiency
;
_journal_issue                   2
_journal_name_full               Catalysts
_journal_page_first              386
_journal_paper_doi               10.3390/catal13020386
_journal_volume                  13
_journal_year                    2023
_chemical_formula_moiety         'C62 H50 Cu N2 P2, C H Cl3, N O3'
_chemical_formula_sum            'C63 H51 Cl3 Cu N3 O3 P2'
_chemical_formula_weight         1129.89
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 95.361(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.7053(12)
_cell_length_b                   14.7608(11)
_cell_length_c                   22.8229(17)
_cell_measurement_reflns_used    9977
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.95
_cell_measurement_theta_min      2.26
_cell_volume                     5603.1(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    ORTEP
_computing_publication_material  'WinGX and enCIFer'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 Venture Photon 100 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1603
_diffrn_reflns_av_unetI/netI     0.0876
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            104765
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.815
_diffrn_reflns_theta_min         2.811
_exptl_absorpt_coefficient_mu    0.639
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.4967
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_description       prism
_exptl_crystal_F_000             2336
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.140
_refine_diff_density_max         1.527
_refine_diff_density_min         -0.732
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       0.0014(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         11970
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.1452
_refine_ls_R_factor_gt           0.0728
_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)+(0.1257P)²+0.1993P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1987
_refine_ls_wR_factor_ref         0.2296
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6960
_reflns_number_total             11970
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file
Ligand-L3_and_complexes_1-BF4_1-OTf_1-NO3_2-NO3_and_3-NO3.cif
_cod_data_source_block           1-NO3
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1568583
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.784
_shelx_estimated_absorpt_t_max   0.916
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'
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
C1 C 0.2919(2) 0.5264(2) 0.46927(16) 0.0366(8) Uani 1 1 d . . . . .
C2 C 0.3115(2) 0.4337(3) 0.49039(17) 0.0434(9) Uani 1 1 d . . . . .
C3 C 0.3663(3) 0.3694(3) 0.4772(2) 0.0546(11) Uani 1 1 d . . . . .
H3 H 0.400897 0.379584 0.448242 0.066 Uiso 1 1 calc R U . . .
C4 C 0.3687(3) 0.2871(3) 0.5090(3) 0.0707(15) Uani 1 1 d . . . . .
H4 H 0.406846 0.243749 0.501625 0.085 Uiso 1 1 calc R U . . .
C5 C 0.3169(4) 0.2694(3) 0.5501(3) 0.0747(16) Uani 1 1 d . . . . .
H5 H 0.320412 0.214227 0.569883 0.090 Uiso 1 1 calc R U . . .
C6 C 0.2574(3) 0.3330(3) 0.5635(2) 0.0606(13) Uani 1 1 d . . . . .
C7 C 0.1998(4) 0.3232(4) 0.6037(2) 0.0787(16) Uani 1 1 d . . . . .
H7 H 0.196230 0.268927 0.623980 0.094 Uiso 1 1 calc R U . . .
C8 C 0.1485(4) 0.3932(4) 0.6137(2) 0.0808(17) Uani 1 1 d . . . . .
H8 H 0.111593 0.385546 0.641378 0.097 Uiso 1 1 calc R U . . .
C9 C 0.1499(3) 0.4754(3) 0.5834(2) 0.0624(13) Uani 1 1 d . . . . .
H9 H 0.114243 0.521576 0.590687 0.075 Uiso 1 1 calc R U . . .
C10 C 0.2047(3) 0.4870(3) 0.54284(17) 0.0470(10) Uani 1 1 d . . . . .
C11 C 0.2263(2) 0.5608(3) 0.50395(16) 0.0392(9) Uani 1 1 d . . . . .
C12 C 0.2580(2) 0.4155(3) 0.53299(18) 0.0442(10) Uani 1 1 d . . . . .
C13 C 0.3788(2) 0.5548(2) 0.39458(17) 0.0408(9) Uani 1 1 d . . . . .
C14 C 0.3612(3) 0.5363(3) 0.33520(19) 0.0502(10) Uani 1 1 d . . . . .
H14 H 0.308079 0.531710 0.319220 0.060 Uiso 1 1 calc R U . . .
C15 C 0.4230(3) 0.5249(3) 0.3002(2) 0.0614(13) Uani 1 1 d . . . . .
H15 H 0.410750 0.512105 0.260505 0.074 Uiso 1 1 calc R U . . .
C16 C 0.5021(3) 0.5317(3) 0.3217(2) 0.0598(12) Uani 1 1 d . . . . .
C17 C 0.5183(3) 0.5500(3) 0.3806(2) 0.0603(12) Uani 1 1 d . . . . .
H17 H 0.571610 0.555238 0.396072 0.072 Uiso 1 1 calc R U . . .
C18 C 0.4581(3) 0.5609(3) 0.41759(19) 0.0527(11) Uani 1 1 d . . . . .
H18 H 0.470843 0.572133 0.457463 0.063 Uiso 1 1 calc R U . . .
C19 C 0.5680(4) 0.5228(5) 0.2814(3) 0.094(2) Uani 1 1 d . . . . .
H19A H 0.553561 0.556028 0.245786 0.140 Uiso 1 1 calc R U . . .
H19B H 0.575207 0.460077 0.272129 0.140 Uiso 1 1 calc R U . . .
H19C H 0.617119 0.546652 0.300491 0.140 Uiso 1 1 calc R U . . .
C20 C 0.1409(3) 0.6825(3) 0.52453(18) 0.0439(10) Uani 1 1 d . . . . .
C21 C 0.1582(3) 0.7529(3) 0.5621(2) 0.0580(12) Uani 1 1 d . . . . .
H21 H 0.211085 0.772092 0.570429 0.070 Uiso 1 1 calc R U . . .
C22 C 0.0962(4) 0.7960(4) 0.5878(2) 0.0782(17) Uani 1 1 d . . . . .
H22 H 0.108035 0.842917 0.614480 0.094 Uiso 1 1 calc R U . . .
C23 C 0.0180(4) 0.7701(4) 0.5744(3) 0.0794(18) Uani 1 1 d . . . . .
C24 C 0.0013(3) 0.7012(4) 0.5363(3) 0.0742(16) Uani 1 1 d . . . . .
H24 H -0.051832 0.683782 0.526973 0.089 Uiso 1 1 calc R U . . .
C25 C 0.0619(3) 0.6562(4) 0.5108(2) 0.0637(13) Uani 1 1 d . . . . .
H25 H 0.049566 0.608715 0.484785 0.076 Uiso 1 1 calc R U . . .
C26 C -0.0496(5) 0.8179(6) 0.6030(4) 0.139(3) Uani 1 1 d . . . . .
H26A H -0.042547 0.882261 0.600706 0.208 Uiso 1 1 calc R U . . .
H26B H -0.048348 0.799942 0.643503 0.208 Uiso 1 1 calc R U . . .
H26C H -0.100488 0.801345 0.582722 0.208 Uiso 1 1 calc R U . . .
C27 C 0.4065(3) 0.8017(3) 0.52361(18) 0.0448(10) Uani 1 1 d . . . . .
C28 C 0.4109(3) 0.7178(3) 0.54966(19) 0.0501(11) Uani 1 1 d . . . . .
H28 H 0.383835 0.669269 0.530927 0.060 Uiso 1 1 calc R U . . .
C29 C 0.4545(3) 0.7044(4) 0.6027(2) 0.0660(14) Uani 1 1 d . . . . .
H29 H 0.457316 0.646929 0.619440 0.079 Uiso 1 1 calc R U . . .
C30 C 0.4941(4) 0.7754(5) 0.6314(2) 0.0819(17) Uani 1 1 d . . . . .
H30 H 0.523248 0.766312 0.667698 0.098 Uiso 1 1 calc R U . . .
C31 C 0.4904(4) 0.8593(4) 0.6063(2) 0.0838(17) Uani 1 1 d . . . . .
H31 H 0.518295 0.907456 0.624882 0.101 Uiso 1 1 calc R U . . .
C32 C 0.4453(3) 0.8725(4) 0.5536(2) 0.0733(15) Uani 1 1 d . . . . .
H32 H 0.440791 0.930511 0.537809 0.088 Uiso 1 1 calc R U . . .
C33 C 0.4279(2) 0.8217(3) 0.40045(19) 0.0462(10) Uani 1 1 d . . . . .
C34 C 0.4947(3) 0.8757(4) 0.4115(2) 0.0664(13) Uani 1 1 d . . . . .
H34 H 0.503089 0.906085 0.447219 0.080 Uiso 1 1 calc R U . . .
C35 C 0.5487(3) 0.8853(4) 0.3706(3) 0.0819(17) Uani 1 1 d . . . . .
H35 H 0.592870 0.923303 0.378265 0.098 Uiso 1 1 calc R U . . .
C36 C 0.5384(4) 0.8395(5) 0.3187(3) 0.093(2) Uani 1 1 d . . . . .
H36 H 0.575674 0.845324 0.291051 0.111 Uiso 1 1 calc R U . . .
C37 C 0.4729(5) 0.7849(4) 0.3075(3) 0.098(2) Uani 1 1 d . . . . .
H37 H 0.465882 0.753296 0.272167 0.117 Uiso 1 1 calc R U . . .
C38 C 0.4166(3) 0.7757(3) 0.3480(2) 0.0670(14) Uani 1 1 d . . . . .
H38 H 0.371733 0.738954 0.339764 0.080 Uiso 1 1 calc R U . . .
C39 C 0.3122(2) 0.9286(3) 0.45115(19) 0.0457(10) Uani 1 1 d . . . . .
C40 C 0.2791(3) 0.9624(3) 0.4997(2) 0.0667(13) Uani 1 1 d . . . . .
H40 H 0.278688 0.926953 0.533327 0.080 Uiso 1 1 calc R U . . .
C41 C 0.2461(4) 1.0501(4) 0.4989(3) 0.0878(18) Uani 1 1 d . . . . .
H41 H 0.224769 1.072772 0.532149 0.105 Uiso 1 1 calc R U . . .
C42 C 0.2453(4) 1.1012(4) 0.4500(4) 0.097(2) Uani 1 1 d . . . . .
H42 H 0.224093 1.159509 0.449522 0.116 Uiso 1 1 calc R U . . .
C43 C 0.2759(4) 1.0672(4) 0.4008(3) 0.097(2) Uani 1 1 d . . . . .
H43 H 0.274075 1.102228 0.366878 0.116 Uiso 1 1 calc R U . . .
C44 C 0.3096(3) 0.9807(3) 0.4010(2) 0.0680(14) Uani 1 1 d . . . . .
H44 H 0.330223 0.958343 0.367364 0.082 Uiso 1 1 calc R U . . .
C45 C 0.0847(3) 0.8030(3) 0.37374(19) 0.0461(10) Uani 1 1 d . . . . .
C46 C 0.1012(3) 0.8570(3) 0.4215(2) 0.0616(13) Uani 1 1 d . . . . .
H46 H 0.151432 0.853628 0.442740 0.074 Uiso 1 1 calc R U . . .
C47 C 0.0448(4) 0.9167(4) 0.4388(3) 0.0868(18) Uani 1 1 d . . . . .
H47 H 0.058233 0.954674 0.470746 0.104 Uiso 1 1 calc R U . . .
C48 C -0.0300(3) 0.9213(4) 0.4105(3) 0.0803(17) Uani 1 1 d . . . . .
H48 H -0.068212 0.960669 0.423266 0.096 Uiso 1 1 calc R U . . .
C49 C -0.0483(3) 0.8666(4) 0.3624(3) 0.0898(19) Uani 1 1 d . . . . .
H49 H -0.099330 0.868517 0.342382 0.108 Uiso 1 1 calc R U . . .
C50 C 0.0093(3) 0.8087(4) 0.3439(3) 0.0742(16) Uani 1 1 d . . . . .
H50 H -0.003129 0.773059 0.310659 0.089 Uiso 1 1 calc R U . . .
C51 C 0.1963(3) 0.7784(3) 0.28642(19) 0.0478(10) Uani 1 1 d . . . . .
C52 C 0.1907(3) 0.8710(3) 0.2767(2) 0.0589(12) Uani 1 1 d . . . . .
H52 H 0.165239 0.907875 0.302319 0.071 Uiso 1 1 calc R U . . .
C53 C 0.2235(4) 0.9084(4) 0.2282(3) 0.0815(17) Uani 1 1 d . . . . .
H53 H 0.219093 0.970343 0.221025 0.098 Uiso 1 1 calc R U . . .
C54 C 0.2626(4) 0.8541(5) 0.1907(3) 0.0862(18) Uani 1 1 d . . . . .
H54 H 0.284838 0.879471 0.158651 0.103 Uiso 1 1 calc R U . . .
C55 C 0.2688(3) 0.7617(5) 0.2008(2) 0.0755(15) Uani 1 1 d . . . . .
H55 H 0.295143 0.724916 0.175691 0.091 Uiso 1 1 calc R U . . .
C56 C 0.2360(3) 0.7251(4) 0.2477(2) 0.0628(13) Uani 1 1 d . . . . .
H56 H 0.240078 0.663004 0.254167 0.075 Uiso 1 1 calc R U . . .
C57 C 0.1058(3) 0.6265(3) 0.32433(19) 0.0495(10) Uani 1 1 d . . . . .
C58 C 0.0653(4) 0.6214(4) 0.2690(2) 0.0806(17) Uani 1 1 d . . . . .
H58 H 0.069111 0.668256 0.242153 0.097 Uiso 1 1 calc R U . . .
C59 C 0.0178(4) 0.5438(4) 0.2534(3) 0.103(2) Uani 1 1 d . . . . .
H59 H -0.011985 0.541278 0.216918 0.123 Uiso 1 1 calc R U . . .
C60 C 0.0155(4) 0.4736(4) 0.2911(3) 0.093(2) Uani 1 1 d . . . . .
H60 H -0.013663 0.421852 0.279730 0.112 Uiso 1 1 calc R U . . .
C61 C 0.0549(4) 0.4781(4) 0.3445(3) 0.0844(17) Uani 1 1 d . . . . .
H61 H 0.051575 0.430138 0.370610 0.101 Uiso 1 1 calc R U . . .
C62 C 0.1007(3) 0.5537(3) 0.3618(2) 0.0656(13) Uani 1 1 d . . . . .
H62 H 0.128462 0.555272 0.399031 0.079 Uiso 1 1 calc R U . . .
C63 C 0.2366(4) 0.2890(4) 0.2771(3) 0.0882(19) Uani 1 1 d . . . . .
H63 H 0.234671 0.342986 0.251940 0.106 Uiso 1 1 calc R U . . .
N1 N 0.31492(19) 0.5777(2) 0.42928(14) 0.0393(7) Uani 1 1 d . . . . .
N2 N 0.20397(18) 0.6436(2) 0.49488(14) 0.0414(8) Uani 1 1 d . . . . .
N3 N 0.2479(3) 0.4755(4) 0.1710(2) 0.0730(12) Uani 1 1 d . . . . .
O1 O 0.2380(5) 0.4851(4) 0.2215(2) 0.156(3) Uani 1 1 d . . . . .
O2 O 0.2512(6) 0.5400(4) 0.1436(3) 0.232(5) Uani 1 1 d . . . . .
O3 O 0.2498(3) 0.3988(3) 0.1518(2) 0.1019(14) Uani 1 1 d . . . . .
P1 P 0.35065(6) 0.81340(7) 0.45105(5) 0.0396(3) Uani 1 1 d . . . . .
P2 P 0.16200(6) 0.72682(7) 0.35176(5) 0.0417(3) Uani 1 1 d . . . . .
Cu1 Cu 0.25900(3) 0.70450(3) 0.42626(2) 0.03898(18) Uani 1 1 d . . . . .
Cl1 Cl 0.25603(19) 0.31925(16) 0.34956(10) 0.1627(12) Uani 1 1 d . . . . .
Cl2 Cl 0.31137(15) 0.2130(2) 0.25667(13) 0.1544(10) Uani 1 1 d . . . . .
Cl3 Cl 0.14778(12) 0.22861(19) 0.26503(9) 0.1327(8) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 135.5(4) . . ?
N1 C1 C11 117.5(3) . . ?
C2 C1 C11 107.0(3) . . ?
C3 C2 C12 120.0(4) . . ?
C3 C2 C1 134.5(4) . . ?
C12 C2 C1 105.5(3) . . ?
C2 C3 C4 118.0(5) . . ?
C2 C3 H3 121.0 . . ?
C4 C3 H3 121.0 . . ?
C5 C4 C3 122.1(5) . . ?
C5 C4 H4 119.0 . . ?
C3 C4 H4 119.0 . . ?
C4 C5 C6 121.6(5) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C7 C6 C12 116.9(5) . . ?
C7 C6 C5 127.7(5) . . ?
C12 C6 C5 115.5(5) . . ?
C8 C7 C6 120.6(5) . . ?
C8 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
C7 C8 C9 122.1(5) . . ?
C7 C8 H8 119.0 . . ?
C9 C8 H8 119.0 . . ?
C10 C9 C8 119.0(5) . . ?
C10 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
C9 C10 C12 118.9(4) . . ?
C9 C10 C11 135.8(4) . . ?
C12 C10 C11 105.3(3) . . ?
N2 C11 C10 135.6(4) . . ?
N2 C11 C1 116.9(3) . . ?
C10 C11 C1 107.5(3) . . ?
C6 C12 C2 122.8(4) . . ?
C6 C12 C10 122.4(4) . . ?
C2 C12 C10 114.7(3) . . ?
C18 C13 C14 119.5(4) . . ?
C18 C13 N1 120.9(4) . . ?
C14 C13 N1 119.2(4) . . ?
C15 C14 C13 119.3(4) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C16 C15 C14 122.4(4) . . ?
C16 C15 H15 118.8 . . ?
C14 C15 H15 118.8 . . ?
C15 C16 C17 117.5(4) . . ?
C15 C16 C19 120.7(5) . . ?
C17 C16 C19 121.8(5) . . ?
C16 C17 C18 122.2(4) . . ?
C16 C17 H17 118.9 . . ?
C18 C17 H17 118.9 . . ?
C17 C18 C13 119.1(4) . . ?
C17 C18 H18 120.4 . . ?
C13 C18 H18 120.4 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C25 119.9(4) . . ?
C21 C20 N2 118.9(4) . . ?
C25 C20 N2 120.8(4) . . ?
C20 C21 C22 119.5(5) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C23 C22 C21 120.6(5) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C24 C23 C22 119.4(5) . . ?
C24 C23 C26 120.4(7) . . ?
C22 C23 C26 120.2(7) . . ?
C23 C24 C25 121.2(5) . . ?
C23 C24 H24 119.4 . . ?
C25 C24 H24 119.4 . . ?
C24 C25 C20 119.4(5) . . ?
C24 C25 H25 120.3 . . ?
C20 C25 H25 120.3 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C32 117.7(4) . . ?
C28 C27 P1 118.6(3) . . ?
C32 C27 P1 123.7(3) . . ?
C29 C28 C27 121.1(4) . . ?
C29 C28 H28 119.5 . . ?
C27 C28 H28 119.5 . . ?
C28 C29 C30 120.4(5) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C31 C30 C29 119.5(5) . . ?
C31 C30 H30 120.3 . . ?
C29 C30 H30 120.3 . . ?
C30 C31 C32 119.8(5) . . ?
C30 C31 H31 120.1 . . ?
C32 C31 H31 120.1 . . ?
C31 C32 C27 121.5(5) . . ?
C31 C32 H32 119.2 . . ?
C27 C32 H32 119.2 . . ?
C38 C33 C34 119.3(4) . . ?
C38 C33 P1 118.2(3) . . ?
C34 C33 P1 122.4(4) . . ?
C35 C34 C33 120.8(5) . . ?
C35 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
C36 C35 C34 120.4(6) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C35 C36 C37 119.3(6) . . ?
C35 C36 H36 120.3 . . ?
C37 C36 H36 120.3 . . ?
C36 C37 C38 121.1(6) . . ?
C36 C37 H37 119.4 . . ?
C38 C37 H37 119.4 . . ?
C33 C38 C37 119.1(5) . . ?
C33 C38 H38 120.5 . . ?
C37 C38 H38 120.5 . . ?
C40 C39 C44 118.9(4) . . ?
C40 C39 P1 120.6(3) . . ?
C44 C39 P1 120.3(4) . . ?
C39 C40 C41 120.7(6) . . ?
C39 C40 H40 119.7 . . ?
C41 C40 H40 119.7 . . ?
C42 C41 C40 120.0(6) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C41 C42 C43 119.8(6) . . ?
C41 C42 H42 120.1 . . ?
C43 C42 H42 120.1 . . ?
C42 C43 C44 121.0(6) . . ?
C42 C43 H43 119.5 . . ?
C44 C43 H43 119.5 . . ?
C39 C44 C43 119.6(6) . . ?
C39 C44 H44 120.2 . . ?
C43 C44 H44 120.2 . . ?
C46 C45 C50 118.0(4) . . ?
C46 C45 P2 119.2(3) . . ?
C50 C45 P2 122.8(4) . . ?
C45 C46 C47 120.9(5) . . ?
C45 C46 H46 119.6 . . ?
C47 C46 H46 119.6 . . ?
C48 C47 C46 121.4(5) . . ?
C48 C47 H47 119.3 . . ?
C46 C47 H47 119.3 . . ?
C47 C48 C49 118.6(5) . . ?
C47 C48 H48 120.7 . . ?
C49 C48 H48 120.7 . . ?
C48 C49 C50 120.0(5) . . ?
C48 C49 H49 120.0 . . ?
C50 C49 H49 120.0 . . ?
C45 C50 C49 121.1(5) . . ?
C45 C50 H50 119.5 . . ?
C49 C50 H50 119.5 . . ?
C52 C51 C56 118.9(4) . . ?
C52 C51 P2 121.6(4) . . ?
C56 C51 P2 119.3(3) . . ?
C51 C52 C53 119.4(5) . . ?
C51 C52 H52 120.3 . . ?
C53 C52 H52 120.3 . . ?
C54 C53 C52 120.4(6) . . ?
C54 C53 H53 119.8 . . ?
C52 C53 H53 119.8 . . ?
C53 C54 C55 120.1(5) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 H54 120.0 . . ?
C56 C55 C54 119.6(6) . . ?
C56 C55 H55 120.2 . . ?
C54 C55 H55 120.2 . . ?
C55 C56 C51 121.7(5) . . ?
C55 C56 H56 119.2 . . ?
C51 C56 H56 119.2 . . ?
C58 C57 C62 118.1(4) . . ?
C58 C57 P2 123.3(4) . . ?
C62 C57 P2 118.5(3) . . ?
C57 C58 C59 119.3(5) . . ?
C57 C58 H58 120.4 . . ?
C59 C58 H58 120.4 . . ?
C60 C59 C58 120.5(5) . . ?
C60 C59 H59 119.7 . . ?
C58 C59 H59 119.7 . . ?
C61 C60 C59 120.3(5) . . ?
C61 C60 H60 119.8 . . ?
C59 C60 H60 119.8 . . ?
C60 C61 C62 120.7(6) . . ?
C60 C61 H61 119.6 . . ?
C62 C61 H61 119.6 . . ?
C57 C62 C61 120.9(5) . . ?
C57 C62 H62 119.5 . . ?
C61 C62 H62 119.5 . . ?
Cl1 C63 Cl3 111.7(4) . . ?
Cl1 C63 Cl2 110.1(4) . . ?
Cl3 C63 Cl2 104.3(4) . . ?
Cl1 C63 H63 110.2 . . ?
Cl3 C63 H63 110.2 . . ?
Cl2 C63 H63 110.2 . . ?
C1 N1 C13 123.2(3) . . ?
C1 N1 Cu1 113.1(2) . . ?
C13 N1 Cu1 123.3(2) . . ?
C11 N2 C20 121.5(3) . . ?
C11 N2 Cu1 112.7(3) . . ?
C20 N2 Cu1 125.3(2) . . ?
O2 N3 O1 116.7(6) . . ?
O2 N3 O3 125.1(6) . . ?
O1 N3 O3 118.1(6) . . ?
C33 P1 C39 102.17(19) . . ?
C33 P1 C27 104.4(2) . . ?
C39 P1 C27 103.74(19) . . ?
C33 P1 Cu1 113.25(15) . . ?
C39 P1 Cu1 115.79(14) . . ?
C27 P1 Cu1 115.86(14) . . ?
C51 P2 C45 104.7(2) . . ?
C51 P2 C57 104.5(2) . . ?
C45 P2 C57 103.9(2) . . ?
C51 P2 Cu1 114.84(14) . . ?
C45 P2 Cu1 111.11(14) . . ?
C57 P2 Cu1 116.61(14) . . ?
N1 Cu1 N2 79.44(12) . . ?
N1 Cu1 P1 109.82(9) . . ?
N2 Cu1 P1 117.01(9) . . ?
N1 Cu1 P2 116.23(9) . . ?
N2 Cu1 P2 106.95(9) . . ?
P1 Cu1 P2 120.46(4) . . ?
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
C1 N1 1.273(5) . ?
C1 C2 1.477(5) . ?
C1 C11 1.499(5) . ?
C2 C3 1.372(6) . ?
C2 C12 1.407(6) . ?
C3 C4 1.413(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.359(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.421(7) . ?
C5 H5 0.9300 . ?
C6 C7 1.398(7) . ?
C6 C12 1.404(6) . ?
C7 C8 1.375(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.398(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.373(6) . ?
C9 H9 0.9300 . ?
C10 C12 1.412(6) . ?
C10 C11 1.471(5) . ?
C11 N2 1.288(5) . ?
C13 C18 1.382(6) . ?
C13 C14 1.387(6) . ?
C13 N1 1.428(5) . ?
C14 C15 1.373(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.369(7) . ?
C15 H15 0.9300 . ?
C16 C17 1.372(7) . ?
C16 C19 1.505(7) . ?
C17 C18 1.382(6) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.361(6) . ?
C20 C25 1.384(6) . ?
C20 N2 1.425(5) . ?
C21 C22 1.393(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.368(9) . ?
C22 H22 0.9300 . ?
C23 C24 1.350(8) . ?
C23 C26 1.529(7) . ?
C24 C25 1.382(7) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.372(5) . ?
C27 C32 1.378(6) . ?
C27 P1 1.832(4) . ?
C28 C29 1.368(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.372(8) . ?
C29 H29 0.9300 . ?
C30 C31 1.364(8) . ?
C30 H30 0.9300 . ?
C31 C32 1.372(7) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C38 1.373(7) . ?
C33 C34 1.375(6) . ?
C33 P1 1.815(4) . ?
C34 C35 1.365(7) . ?
C34 H34 0.9300 . ?
C35 C36 1.362(9) . ?
C35 H35 0.9300 . ?
C36 C37 1.364(10) . ?
C36 H36 0.9300 . ?
C37 C38 1.385(8) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 C40 1.377(6) . ?
C39 C44 1.377(6) . ?
C39 P1 1.817(4) . ?
C40 C41 1.407(7) . ?
C40 H40 0.9300 . ?
C41 C42 1.347(9) . ?
C41 H41 0.9300 . ?
C42 C43 1.370(9) . ?
C42 H42 0.9300 . ?
C43 C44 1.396(8) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C45 C46 1.357(6) . ?
C45 C50 1.379(6) . ?
C45 P2 1.818(4) . ?
C46 C47 1.376(7) . ?
C46 H46 0.9300 . ?
C47 C48 1.354(8) . ?
C47 H47 0.9300 . ?
C48 C49 1.373(8) . ?
C48 H48 0.9300 . ?
C49 C50 1.382(7) . ?
C49 H49 0.9300 . ?
C50 H50 0.9300 . ?
C51 C52 1.387(6) . ?
C51 C56 1.396(7) . ?
C51 P2 1.814(4) . ?
C52 C53 1.395(7) . ?
C52 H52 0.9300 . ?
C53 C54 1.380(9) . ?
C53 H53 0.9300 . ?
C54 C55 1.385(9) . ?
C54 H54 0.9300 . ?
C55 C56 1.358(7) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C57 C58 1.377(6) . ?
C57 C62 1.380(6) . ?
C57 P2 1.832(4) . ?
C58 C59 1.420(7) . ?
C58 H58 0.9300 . ?
C59 C60 1.349(8) . ?
C59 H59 0.9300 . ?
C60 C61 1.332(8) . ?
C60 H60 0.9300 . ?
C61 C62 1.390(7) . ?
C61 H61 0.9300 . ?
C62 H62 0.9300 . ?
C63 Cl1 1.715(7) . ?
C63 Cl3 1.730(6) . ?
C63 Cl2 1.774(7) . ?
C63 H63 0.9800 . ?
N1 Cu1 2.089(3) . ?
N2 Cu1 2.092(3) . ?
N3 O2 1.143(6) . ?
N3 O1 1.188(6) . ?
N3 O3 1.215(6) . ?
P1 Cu1 2.2551(11) . ?
P2 Cu1 2.2608(11) . ?
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
_geom_hbond_publ_flag
C14 H14 O1 0.93 2.52 3.248(7) 135.7 . yes
C40 H40 O2 0.93 2.65 3.361(8) 134.2 4_576 yes
C50 H50 Cl3 0.93 2.91 3.638(6) 136.1 2 yes
C63 H63 O1 0.98 2.21 3.160(8) 162.6 . yes
C63 H63 O3 0.98 2.47 3.312(8) 144.5 . yes
C14 H14 O1 0.93 2.52 3.248(7) 135.7 . yes
C40 H40 O2 0.93 2.65 3.361(8) 134.2 4_576 yes
C50 H50 Cl3 0.93 2.91 3.638(6) 136.1 2 yes
C63 H63 O1 0.98 2.21 3.160(8) 162.6 . yes
C63 H63 O3 0.98 2.47 3.312(8) 144.5 . yes
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
N1 C1 C2 C3 5.2(8) . . . . ?
C11 C1 C2 C3 -178.1(4) . . . . ?
N1 C1 C2 C12 -174.7(4) . . . . ?
C11 C1 C2 C12 2.1(4) . . . . ?
C12 C2 C3 C4 -2.2(6) . . . . ?
C1 C2 C3 C4 178.0(4) . . . . ?
C2 C3 C4 C5 2.4(8) . . . . ?
C3 C4 C5 C6 -0.2(9) . . . . ?
C4 C5 C6 C7 178.9(6) . . . . ?
C4 C5 C6 C12 -2.0(8) . . . . ?
C12 C6 C7 C8 -2.0(8) . . . . ?
C5 C6 C7 C8 177.0(6) . . . . ?
C6 C7 C8 C9 1.6(10) . . . . ?
C7 C8 C9 C10 -0.5(9) . . . . ?
C8 C9 C10 C12 -0.1(7) . . . . ?
C8 C9 C10 C11 -178.5(5) . . . . ?
C9 C10 C11 N2 3.1(9) . . . . ?
C12 C10 C11 N2 -175.5(4) . . . . ?
C9 C10 C11 C1 -178.7(5) . . . . ?
C12 C10 C11 C1 2.7(4) . . . . ?
N1 C1 C11 N2 -7.0(5) . . . . ?
C2 C1 C11 N2 175.6(3) . . . . ?
N1 C1 C11 C10 174.4(3) . . . . ?
C2 C1 C11 C10 -3.0(4) . . . . ?
C7 C6 C12 C2 -178.6(4) . . . . ?
C5 C6 C12 C2 2.2(7) . . . . ?
C7 C6 C12 C10 1.5(7) . . . . ?
C5 C6 C12 C10 -177.7(4) . . . . ?
C3 C2 C12 C6 -0.2(6) . . . . ?
C1 C2 C12 C6 179.7(4) . . . . ?
C3 C2 C12 C10 179.8(4) . . . . ?
C1 C2 C12 C10 -0.4(5) . . . . ?
C9 C10 C12 C6 -0.5(6) . . . . ?
C11 C10 C12 C6 178.4(4) . . . . ?
C9 C10 C12 C2 179.6(4) . . . . ?
C11 C10 C12 C2 -1.5(5) . . . . ?
C18 C13 C14 C15 -0.4(6) . . . . ?
N1 C13 C14 C15 172.3(4) . . . . ?
C13 C14 C15 C16 -0.5(7) . . . . ?
C14 C15 C16 C17 0.5(7) . . . . ?
C14 C15 C16 C19 -177.3(5) . . . . ?
C15 C16 C17 C18 0.3(7) . . . . ?
C19 C16 C17 C18 178.1(5) . . . . ?
C16 C17 C18 C13 -1.2(7) . . . . ?
C14 C13 C18 C17 1.2(6) . . . . ?
N1 C13 C18 C17 -171.3(4) . . . . ?
C25 C20 C21 C22 2.0(7) . . . . ?
N2 C20 C21 C22 175.1(4) . . . . ?
C20 C21 C22 C23 -2.0(8) . . . . ?
C21 C22 C23 C24 0.9(9) . . . . ?
C21 C22 C23 C26 179.9(6) . . . . ?
C22 C23 C24 C25 0.3(9) . . . . ?
C26 C23 C24 C25 -178.8(6) . . . . ?
C23 C24 C25 C20 -0.3(8) . . . . ?
C21 C20 C25 C24 -0.9(7) . . . . ?
N2 C20 C25 C24 -173.9(4) . . . . ?
C32 C27 C28 C29 -2.1(7) . . . . ?
P1 C27 C28 C29 177.4(4) . . . . ?
C27 C28 C29 C30 0.8(8) . . . . ?
C28 C29 C30 C31 -0.7(9) . . . . ?
C29 C30 C31 C32 1.9(10) . . . . ?
C30 C31 C32 C27 -3.3(9) . . . . ?
C28 C27 C32 C31 3.3(8) . . . . ?
P1 C27 C32 C31 -176.1(5) . . . . ?
C38 C33 C34 C35 1.1(7) . . . . ?
P1 C33 C34 C35 -175.3(4) . . . . ?
C33 C34 C35 C36 -1.7(9) . . . . ?
C34 C35 C36 C37 0.9(10) . . . . ?
C35 C36 C37 C38 0.3(10) . . . . ?
C34 C33 C38 C37 0.1(7) . . . . ?
P1 C33 C38 C37 176.7(4) . . . . ?
C36 C37 C38 C33 -0.9(9) . . . . ?
C44 C39 C40 C41 -2.4(7) . . . . ?
P1 C39 C40 C41 -177.1(4) . . . . ?
C39 C40 C41 C42 1.1(9) . . . . ?
C40 C41 C42 C43 0.8(10) . . . . ?
C41 C42 C43 C44 -1.4(11) . . . . ?
C40 C39 C44 C43 1.8(7) . . . . ?
P1 C39 C44 C43 176.5(4) . . . . ?
C42 C43 C44 C39 0.1(9) . . . . ?
C50 C45 C46 C47 -1.1(8) . . . . ?
P2 C45 C46 C47 178.9(4) . . . . ?
C45 C46 C47 C48 2.5(9) . . . . ?
C46 C47 C48 C49 -1.8(10) . . . . ?
C47 C48 C49 C50 -0.2(10) . . . . ?
C46 C45 C50 C49 -1.0(8) . . . . ?
P2 C45 C50 C49 179.1(5) . . . . ?
C48 C49 C50 C45 1.7(10) . . . . ?
C56 C51 C52 C53 1.0(7) . . . . ?
P2 C51 C52 C53 175.0(4) . . . . ?
C51 C52 C53 C54 -1.2(8) . . . . ?
C52 C53 C54 C55 0.6(9) . . . . ?
C53 C54 C55 C56 0.1(9) . . . . ?
C54 C55 C56 C51 -0.3(8) . . . . ?
C52 C51 C56 C55 -0.3(7) . . . . ?
P2 C51 C56 C55 -174.5(4) . . . . ?
C62 C57 C58 C59 2.5(8) . . . . ?
P2 C57 C58 C59 -174.7(5) . . . . ?
C57 C58 C59 C60 -3.5(10) . . . . ?
C58 C59 C60 C61 3.2(11) . . . . ?
C59 C60 C61 C62 -1.9(11) . . . . ?
C58 C57 C62 C61 -1.3(8) . . . . ?
P2 C57 C62 C61 176.1(4) . . . . ?
C60 C61 C62 C57 1.0(10) . . . . ?
C2 C1 N1 C13 -6.0(7) . . . . ?
C11 C1 N1 C13 177.5(3) . . . . ?
C2 C1 N1 Cu1 -179.4(4) . . . . ?
C11 C1 N1 Cu1 4.2(4) . . . . ?
C18 C13 N1 C1 -76.1(5) . . . . ?
C14 C13 N1 C1 111.4(4) . . . . ?
C18 C13 N1 Cu1 96.6(4) . . . . ?
C14 C13 N1 Cu1 -76.0(4) . . . . ?
C10 C11 N2 C20 -3.4(7) . . . . ?
C1 C11 N2 C20 178.6(3) . . . . ?
C10 C11 N2 Cu1 -176.1(4) . . . . ?
C1 C11 N2 Cu1 5.9(4) . . . . ?
C21 C20 N2 C11 116.1(4) . . . . ?
C25 C20 N2 C11 -70.8(5) . . . . ?
C21 C20 N2 Cu1 -72.1(5) . . . . ?
C25 C20 N2 Cu1 100.9(4) . . . . ?
C38 C33 P1 C39 -113.5(4) . . . . ?
C34 C33 P1 C39 63.0(4) . . . . ?
C38 C33 P1 C27 138.7(4) . . . . ?
C34 C33 P1 C27 -44.8(4) . . . . ?
C38 C33 P1 Cu1 11.8(4) . . . . ?
C34 C33 P1 Cu1 -171.7(3) . . . . ?
C40 C39 P1 C33 -152.0(4) . . . . ?
C44 C39 P1 C33 33.4(4) . . . . ?
C40 C39 P1 C27 -43.6(4) . . . . ?
C44 C39 P1 C27 141.8(4) . . . . ?
C40 C39 P1 Cu1 84.5(4) . . . . ?
C44 C39 P1 Cu1 -90.2(4) . . . . ?
C28 C27 P1 C33 -103.9(4) . . . . ?
C32 C27 P1 C33 75.5(5) . . . . ?
C28 C27 P1 C39 149.4(4) . . . . ?
C32 C27 P1 C39 -31.2(5) . . . . ?
C28 C27 P1 Cu1 21.4(4) . . . . ?
C32 C27 P1 Cu1 -159.2(4) . . . . ?
C52 C51 P2 C45 26.4(4) . . . . ?
C56 C51 P2 C45 -159.6(4) . . . . ?
C52 C51 P2 C57 135.3(4) . . . . ?
C56 C51 P2 C57 -50.7(4) . . . . ?
C52 C51 P2 Cu1 -95.7(4) . . . . ?
C56 C51 P2 Cu1 78.3(4) . . . . ?
C46 C45 P2 C51 -106.0(4) . . . . ?
C50 C45 P2 C51 73.9(4) . . . . ?
C46 C45 P2 C57 144.7(4) . . . . ?
C50 C45 P2 C57 -35.4(5) . . . . ?
C46 C45 P2 Cu1 18.5(4) . . . . ?
C50 C45 P2 Cu1 -161.6(4) . . . . ?
C58 C57 P2 C51 -29.8(5) . . . . ?
C62 C57 P2 C51 153.0(4) . . . . ?
C58 C57 P2 C45 79.7(5) . . . . ?
C62 C57 P2 C45 -97.5(4) . . . . ?
C58 C57 P2 Cu1 -157.7(4) . . . . ?
C62 C57 P2 Cu1 25.1(4) . . . . ?
