#------------------------------------------------------------------------------
#$Date: 2020-10-06 13:27:41 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257832 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/97/7059799.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_7059799
loop_
_publ_author_name
'Jin, Xin-Xin'
'Li, Tian'
'Shi, Dong-Po'
'Luo, Li-Juan'
'Su, Qian-Qian'
'Xiang, Jing'
'Xu, Hai-Bing'
'Leung, Chi-Fai'
'Zeng, Ming-Hua'
_publ_section_title
;
 Luminescent phosphine copper(i) complexes with various functionalized
 bipyridine ligands: synthesis, structures, photophysics and computational
 study
;
_journal_issue                   31
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              13393
_journal_page_last               13400
_journal_paper_doi               10.1039/C9NJ05887G
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C48 H44 Cl Cu N2 O7 P2'
_chemical_formula_weight         921.78
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-07-29 deposited with the CCDC.	2020-07-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.048(7)
_cell_angle_beta                 101.514(6)
_cell_angle_gamma                100.446(7)
_cell_formula_units_Z            2
_cell_length_a                   11.0935(9)
_cell_length_b                   12.6712(12)
_cell_length_c                   16.9260(12)
_cell_measurement_reflns_used    2737
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      62.9710
_cell_measurement_theta_min      3.5360
_cell_volume                     2291.0(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.1281
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0678
_diffrn_reflns_av_unetI/netI     0.1148
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14695
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.246
_diffrn_reflns_theta_max         67.246
_diffrn_reflns_theta_min         2.666
_diffrn_source                   'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.295
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82405
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_description       block
_exptl_crystal_F_000             956
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.434
_refine_diff_density_min         -0.500
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     552
_refine_ls_number_reflns         8204
_refine_ls_number_restraints     1572
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1273
_refine_ls_R_factor_gt           0.0686
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0612P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1477
_refine_ls_wR_factor_ref         0.1836
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4463
_reflns_number_total             8204
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nj05887g2.cif
_cod_data_source_block           exp_7493
_cod_depositor_comments
;Adding full bibliography for 7059798--7059800.cif.

 Adding full bibliography for 7059798--7059800.cif.
;
_cod_database_code               7059799
_shelx_shelxl_version_number     2014/7
_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   0.770
_shelx_estimated_absorpt_t_max   0.786
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.78107(7) 0.16791(6) 0.20341(4) 0.0453(2) Uani 1 1 d . U . . .
N2 N 0.7175(5) 0.0377(4) 0.1196(3) 0.0591(10) Uani 1 1 d . U . . .
N1 N 0.8800(4) 0.2155(4) 0.1123(3) 0.0548(10) Uani 1 1 d . U . . .
O1 O 0.9653(4) 0.3724(3) 0.1769(2) 0.0660(11) Uani 1 1 d . U . . .
H1A H 1.0246 0.4220 0.1778 0.099 Uiso 1 1 d R U . . .
O2 O 0.5949(4) -0.0540(3) 0.1963(3) 0.0730(11) Uani 1 1 d . U . . .
H2B H 0.5982 -0.1113 0.2183 0.109 Uiso 1 1 d R U . . .
O3 O 0.1653(7) 0.5875(6) 0.3146(4) 0.154(2) Uani 1 1 d . U . . .
O4 O 0.0469(5) 0.5866(4) 0.1877(4) 0.122(2) Uani 1 1 d . U . . .
O5 O 0.2170(5) 0.7215(4) 0.2284(4) 0.1278(19) Uani 1 1 d . U . . .
O6 O 0.2450(6) 0.5494(5) 0.2067(4) 0.1350(19) Uani 1 1 d . U . . .
P1 P 0.88309(13) 0.10974(11) 0.31985(8) 0.0457(3) Uani 1 1 d . U . . .
P2 P 0.65919(13) 0.29107(11) 0.21427(8) 0.0445(3) Uani 1 1 d . U . . .
Cl1 Cl 0.17139(18) 0.61122(15) 0.23525(14) 0.0860(6) Uani 1 1 d . U . . .
C1 C 0.9496(5) 0.3125(5) 0.1105(4) 0.0585(12) Uani 1 1 d . U . . .
C2 C 1.0017(6) 0.3469(6) 0.0440(4) 0.0738(15) Uani 1 1 d . U . . .
H2 H 1.0518 0.4144 0.0447 0.089 Uiso 1 1 calc R U . . .
C3 C 0.9766(7) 0.2791(6) -0.0208(4) 0.0877(16) Uani 1 1 d . U . . .
H3 H 1.0083 0.3003 -0.0663 0.105 Uiso 1 1 calc R U . . .
C4 C 0.9038(7) 0.1777(6) -0.0204(4) 0.0852(15) Uani 1 1 d . U . . .
H4 H 0.8883 0.1303 -0.0648 0.102 Uiso 1 1 calc R U . . .
C5 C 0.8541(6) 0.1480(5) 0.0477(4) 0.0682(12) Uani 1 1 d . U . . .
C6 C 0.7708(7) 0.0450(5) 0.0539(4) 0.0709(13) Uani 1 1 d . U . . .
C7 C 0.7523(7) -0.0400(6) -0.0009(4) 0.0891(16) Uani 1 1 d . U . . .
H7 H 0.7932 -0.0345 -0.0441 0.107 Uiso 1 1 calc R U . . .
C8 C 0.6727(7) -0.1325(6) 0.0096(4) 0.0942(18) Uani 1 1 d . U . . .
H8 H 0.6571 -0.1896 -0.0278 0.113 Uiso 1 1 calc R U . . .
C9 C 0.6157(7) -0.1420(6) 0.0747(4) 0.0865(17) Uani 1 1 d . U . . .
H9 H 0.5606 -0.2042 0.0818 0.104 Uiso 1 1 calc R U . . .
C10 C 0.6436(6) -0.0537(5) 0.1304(4) 0.0672(13) Uani 1 1 d . U . . .
C11 C 1.0467(5) 0.1684(5) 0.3616(3) 0.0516(11) Uani 1 1 d . U . . .
C12 C 1.0914(5) 0.2747(5) 0.3506(3) 0.0580(12) Uani 1 1 d . U . . .
H12 H 1.0376 0.3160 0.3218 0.070 Uiso 1 1 calc R U . . .
C13 C 1.2135(6) 0.3214(5) 0.3813(4) 0.0688(15) Uani 1 1 d . U . . .
H13 H 1.2414 0.3937 0.3738 0.083 Uiso 1 1 calc R U . . .
C14 C 1.2947(6) 0.2608(6) 0.4231(4) 0.0692(15) Uani 1 1 d . U . . .
H14 H 1.3778 0.2920 0.4433 0.083 Uiso 1 1 calc R U . . .
C15 C 1.2531(6) 0.1551(5) 0.4348(4) 0.0678(14) Uani 1 1 d . U . . .
H15 H 1.3077 0.1146 0.4637 0.081 Uiso 1 1 calc R U . . .
C16 C 1.1300(5) 0.1080(5) 0.4038(3) 0.0611(12) Uani 1 1 d . U . . .
H16 H 1.1026 0.0355 0.4112 0.073 Uiso 1 1 calc R U . . .
C17 C 0.8886(5) -0.0334(5) 0.3122(3) 0.0544(11) Uani 1 1 d . U . . .
C18 C 0.9303(6) -0.0693(5) 0.2468(4) 0.0641(12) Uani 1 1 d . U . . .
H18 H 0.9512 -0.0211 0.2081 0.077 Uiso 1 1 calc R U . . .
C19 C 0.9413(7) -0.1765(5) 0.2380(4) 0.0776(16) Uani 1 1 d . U . . .
H19 H 0.9712 -0.1995 0.1947 0.093 Uiso 1 1 calc R U . . .
C20 C 0.9074(6) -0.2468(5) 0.2940(4) 0.0772(16) Uani 1 1 d . U . . .
H20 H 0.9128 -0.3187 0.2881 0.093 Uiso 1 1 calc R U . . .
C21 C 0.8659(6) -0.2137(5) 0.3581(4) 0.0726(15) Uani 1 1 d . U . . .
H21 H 0.8439 -0.2627 0.3960 0.087 Uiso 1 1 calc R U . . .
C22 C 0.8563(5) -0.1080(5) 0.3673(4) 0.0617(12) Uani 1 1 d . U . . .
H22 H 0.8274 -0.0863 0.4115 0.074 Uiso 1 1 calc R U . . .
C23 C 0.8034(5) 0.1202(5) 0.4034(3) 0.0528(11) Uani 1 1 d . U . . .
C24 C 0.8613(6) 0.1718(5) 0.4766(4) 0.0650(13) Uani 1 1 d . U . . .
H24 H 0.9466 0.2000 0.4865 0.078 Uiso 1 1 calc R U . . .
C25 C 0.7917(7) 0.1820(6) 0.5362(4) 0.0770(15) Uani 1 1 d . U . . .
H25 H 0.8308 0.2165 0.5856 0.092 Uiso 1 1 calc R U . . .
C26 C 0.6664(7) 0.1410(6) 0.5213(4) 0.0764(15) Uani 1 1 d . U . . .
H26 H 0.6204 0.1475 0.5608 0.092 Uiso 1 1 calc R U . . .
C27 C 0.6082(6) 0.0905(5) 0.4488(4) 0.0731(15) Uani 1 1 d . U . . .
H27 H 0.5228 0.0629 0.4392 0.088 Uiso 1 1 calc R U . . .
C28 C 0.6757(6) 0.0799(5) 0.3892(4) 0.0623(12) Uani 1 1 d . U . . .
H28 H 0.6353 0.0459 0.3398 0.075 Uiso 1 1 calc R U . . .
C29 C 0.4916(5) 0.2500(5) 0.2065(3) 0.0523(11) Uani 1 1 d . U . . .
C30 C 0.4420(5) 0.1436(5) 0.2153(3) 0.0601(12) Uani 1 1 d . U . . .
H30 H 0.4942 0.0932 0.2234 0.072 Uiso 1 1 calc R U . . .
C31 C 0.3130(6) 0.1111(5) 0.2121(4) 0.0684(15) Uani 1 1 d . U . . .
H31 H 0.2808 0.0394 0.2189 0.082 Uiso 1 1 calc R U . . .
C32 C 0.2357(6) 0.1823(6) 0.1994(4) 0.0683(15) Uani 1 1 d . U . . .
H32 H 0.1504 0.1597 0.1968 0.082 Uiso 1 1 calc R U . . .
C33 C 0.2827(6) 0.2884(6) 0.1903(4) 0.0677(14) Uani 1 1 d . U . . .
H33 H 0.2293 0.3379 0.1821 0.081 Uiso 1 1 calc R U . . .
C34 C 0.4097(6) 0.3219(5) 0.1932(3) 0.0609(12) Uani 1 1 d . U . . .
H34 H 0.4405 0.3938 0.1861 0.073 Uiso 1 1 calc R U . . .
C35 C 0.7083(5) 0.3711(4) 0.3093(3) 0.0519(11) Uani 1 1 d . U . . .
C36 C 0.6356(6) 0.3645(5) 0.3665(4) 0.0680(13) Uani 1 1 d . U . . .
H36 H 0.5557 0.3227 0.3557 0.082 Uiso 1 1 calc R U . . .
C37 C 0.6808(7) 0.4203(6) 0.4409(4) 0.0803(15) Uani 1 1 d . U . . .
H37 H 0.6306 0.4160 0.4791 0.096 Uiso 1 1 calc R U . . .
C38 C 0.7992(7) 0.4816(6) 0.4577(4) 0.0792(16) Uani 1 1 d . U . . .
H38 H 0.8292 0.5189 0.5071 0.095 Uiso 1 1 calc R U . . .
C39 C 0.8725(6) 0.4873(5) 0.4016(4) 0.0721(15) Uani 1 1 d . U . . .
H39 H 0.9528 0.5283 0.4129 0.087 Uiso 1 1 calc R U . . .
C40 C 0.8278(6) 0.4324(5) 0.3278(4) 0.0624(12) Uani 1 1 d . U . . .
H40 H 0.8788 0.4368 0.2900 0.075 Uiso 1 1 calc R U . . .
C41 C 0.6661(5) 0.3902(5) 0.1355(3) 0.0545(11) Uani 1 1 d . U . . .
C42 C 0.6918(6) 0.5001(5) 0.1497(4) 0.0659(13) Uani 1 1 d . U . . .
H42 H 0.7049 0.5287 0.2020 0.079 Uiso 1 1 calc R U . . .
C43 C 0.6980(6) 0.5674(6) 0.0856(4) 0.0804(17) Uani 1 1 d . U . . .
H43 H 0.7136 0.6414 0.0950 0.096 Uiso 1 1 calc R U . . .
C44 C 0.6817(6) 0.5267(6) 0.0090(4) 0.0803(17) Uani 1 1 d . U . . .
H44 H 0.6875 0.5731 -0.0332 0.096 Uiso 1 1 calc R U . . .
C45 C 0.6568(6) 0.4186(6) -0.0066(4) 0.0779(16) Uani 1 1 d . U . . .
H45 H 0.6452 0.3914 -0.0592 0.093 Uiso 1 1 calc R U . . .
C46 C 0.6490(5) 0.3492(5) 0.0566(3) 0.0635(12) Uani 1 1 d . U . . .
H46 H 0.6323 0.2753 0.0463 0.076 Uiso 1 1 calc R U . . .
O7 O 0.4729(6) 0.7578(5) 0.2211(4) 0.132(2) Uani 1 1 d . U . . .
H7A H 0.4402 0.7874 0.2521 0.198 Uiso 1 1 calc R U . . .
C47 C 0.5401(9) 0.6834(9) 0.2633(7) 0.135(3) Uani 1 1 d . U . . .
H47A H 0.6272 0.7008 0.2589 0.162 Uiso 1 1 calc R U . . .
H47B H 0.5057 0.6115 0.2403 0.162 Uiso 1 1 calc R U . . .
C48 C 0.5303(10) 0.6882(10) 0.3472(7) 0.171(4) Uani 1 1 d . U . . .
H48A H 0.5521 0.7615 0.3672 0.257 Uiso 1 1 calc R U . . .
H48B H 0.5863 0.6469 0.3781 0.257 Uiso 1 1 calc R U . . .
H48C H 0.4460 0.6593 0.3519 0.257 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 '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 Cu1 N2 77.95(19) . . ?
N1 Cu1 P1 119.09(13) . . ?
N2 Cu1 P1 108.86(13) . . ?
N1 Cu1 P2 107.68(13) . . ?
N2 Cu1 P2 120.78(14) . . ?
P1 Cu1 P2 116.96(6) . . ?
C10 N2 C6 118.6(5) . . ?
C10 N2 Cu1 125.7(4) . . ?
C6 N2 Cu1 115.1(4) . . ?
C1 N1 C5 119.8(5) . . ?
C1 N1 Cu1 123.9(4) . . ?
C5 N1 Cu1 115.6(4) . . ?
C23 P1 C11 104.2(3) . . ?
C23 P1 C17 103.9(3) . . ?
C11 P1 C17 102.1(3) . . ?
C23 P1 Cu1 112.36(18) . . ?
C11 P1 Cu1 120.70(18) . . ?
C17 P1 Cu1 111.81(19) . . ?
C29 P2 C35 102.9(3) . . ?
C29 P2 C41 101.9(2) . . ?
C35 P2 C41 104.6(3) . . ?
C29 P2 Cu1 120.7(2) . . ?
C35 P2 Cu1 113.31(17) . . ?
C41 P2 Cu1 111.61(19) . . ?
O6 Cl1 O3 110.1(5) . . ?
O6 Cl1 O5 110.8(4) . . ?
O3 Cl1 O5 111.1(4) . . ?
O6 Cl1 O4 109.1(4) . . ?
O3 Cl1 O4 108.0(4) . . ?
O5 Cl1 O4 107.6(3) . . ?
O1 C1 N1 114.0(5) . . ?
O1 C1 C2 123.3(6) . . ?
N1 C1 C2 122.7(6) . . ?
C3 C2 C1 117.6(6) . . ?
C2 C3 C4 120.7(7) . . ?
C3 C4 C5 119.0(7) . . ?
N1 C5 C4 120.2(6) . . ?
N1 C5 C6 115.7(5) . . ?
C4 C5 C6 124.1(6) . . ?
N2 C6 C7 122.1(6) . . ?
N2 C6 C5 115.2(5) . . ?
C7 C6 C5 122.7(6) . . ?
C8 C7 C6 118.6(7) . . ?
C9 C8 C7 120.7(7) . . ?
C8 C9 C10 117.5(7) . . ?
N2 C10 O2 114.7(5) . . ?
N2 C10 C9 122.3(6) . . ?
O2 C10 C9 122.9(6) . . ?
C12 C11 C16 118.0(6) . . ?
C12 C11 P1 120.0(4) . . ?
C16 C11 P1 122.0(4) . . ?
C11 C12 C13 121.5(6) . . ?
C12 C13 C14 119.8(6) . . ?
C15 C14 C13 120.0(6) . . ?
C14 C15 C16 120.2(6) . . ?
C15 C16 C11 120.4(6) . . ?
C22 C17 C18 117.5(6) . . ?
C22 C17 P1 124.9(5) . . ?
C18 C17 P1 117.6(4) . . ?
C17 C18 C19 121.1(6) . . ?
C20 C19 C18 118.9(7) . . ?
C21 C20 C19 121.0(7) . . ?
C20 C21 C22 120.2(6) . . ?
C21 C22 C17 121.3(6) . . ?
C24 C23 C28 119.1(5) . . ?
C24 C23 P1 123.6(5) . . ?
C28 C23 P1 117.1(5) . . ?
C23 C24 C25 120.2(6) . . ?
C26 C25 C24 119.8(7) . . ?
C25 C26 C27 120.4(6) . . ?
C26 C27 C28 120.5(7) . . ?
C23 C28 C27 120.0(6) . . ?
C30 C29 C34 117.7(6) . . ?
C30 C29 P2 119.7(4) . . ?
C34 C29 P2 122.6(5) . . ?
C29 C30 C31 120.3(6) . . ?
C32 C31 C30 120.8(6) . . ?
C31 C32 C33 119.9(6) . . ?
C32 C33 C34 120.0(6) . . ?
C29 C34 C33 121.2(6) . . ?
C36 C35 C40 118.4(6) . . ?
C36 C35 P2 122.3(5) . . ?
C40 C35 P2 119.0(4) . . ?
C35 C36 C37 120.4(6) . . ?
C38 C37 C36 120.2(7) . . ?
C39 C38 C37 119.6(6) . . ?
C38 C39 C40 120.3(7) . . ?
C39 C40 C35 121.0(6) . . ?
C42 C41 C46 119.1(6) . . ?
C42 C41 P2 124.6(5) . . ?
C46 C41 P2 116.3(5) . . ?
C41 C42 C43 119.5(6) . . ?
C44 C43 C42 120.9(7) . . ?
C45 C44 C43 120.7(7) . . ?
C44 C45 C46 119.6(7) . . ?
C41 C46 C45 120.2(6) . . ?
O7 C47 C48 108.7(9) . . ?
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 2.093(4) . ?
Cu1 N2 2.099(5) . ?
Cu1 P1 2.2635(16) . ?
Cu1 P2 2.2719(15) . ?
N2 C10 1.327(7) . ?
N2 C6 1.355(7) . ?
N1 C1 1.332(7) . ?
N1 C5 1.339(7) . ?
O1 C1 1.321(7) . ?
O2 C10 1.334(7) . ?
O3 Cl1 1.388(7) . ?
O4 Cl1 1.432(5) . ?
O5 Cl1 1.411(5) . ?
O6 Cl1 1.380(6) . ?
P1 C23 1.827(5) . ?
P1 C11 1.829(6) . ?
P1 C17 1.831(6) . ?
P2 C29 1.816(6) . ?
P2 C35 1.833(6) . ?
P2 C41 1.836(5) . ?
C1 C2 1.399(8) . ?
C2 C3 1.345(9) . ?
C3 C4 1.389(9) . ?
C4 C5 1.396(8) . ?
C5 C6 1.474(8) . ?
C6 C7 1.380(8) . ?
C7 C8 1.369(9) . ?
C8 C9 1.370(9) . ?
C9 C10 1.412(8) . ?
C11 C12 1.375(8) . ?
C11 C16 1.394(7) . ?
C12 C13 1.372(8) . ?
C13 C14 1.378(8) . ?
C14 C15 1.363(8) . ?
C15 C16 1.384(8) . ?
C17 C22 1.379(7) . ?
C17 C18 1.388(7) . ?
C18 C19 1.396(8) . ?
C19 C20 1.362(9) . ?
C20 C21 1.354(9) . ?
C21 C22 1.374(8) . ?
C23 C24 1.380(8) . ?
C23 C28 1.388(8) . ?
C24 C25 1.407(8) . ?
C25 C26 1.364(9) . ?
C26 C27 1.366(9) . ?
C27 C28 1.390(8) . ?
C29 C30 1.381(7) . ?
C29 C34 1.388(7) . ?
C30 C31 1.405(8) . ?
C31 C32 1.342(8) . ?
C32 C33 1.372(8) . ?
C33 C34 1.386(8) . ?
C35 C36 1.371(7) . ?
C35 C40 1.386(8) . ?
C36 C37 1.399(8) . ?
C37 C38 1.375(9) . ?
C38 C39 1.361(9) . ?
C39 C40 1.385(8) . ?
C41 C42 1.380(8) . ?
C41 C46 1.396(8) . ?
C42 C43 1.387(8) . ?
C43 C44 1.361(9) . ?
C44 C45 1.361(9) . ?
C45 C46 1.392(8) . ?
O7 C47 1.414(10) . ?
C47 C48 1.448(12) . ?
