#------------------------------------------------------------------------------
#$Date: 2020-10-06 13:27:41 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257832 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/97/7059798.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_7059798
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            'C4.68 H3.51 Cl0.1 Cu0.1 N0.39 O0.39 P0.2'
_chemical_formula_weight         87.19
_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   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
_cell_angle_beta                 103.968(10)
_cell_angle_gamma                90
_cell_formula_units_Z            41
_cell_length_a                   10.9189(10)
_cell_length_b                   31.935(2)
_cell_length_c                   12.9477(15)
_cell_measurement_reflns_used    2557
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      67.0780
_cell_measurement_theta_min      3.7710
_cell_volume                     4381.3(7)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0746
_diffrn_reflns_av_unetI/netI     0.1239
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14886
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.243
_diffrn_reflns_theta_max         67.243
_diffrn_reflns_theta_min         2.767
_diffrn_source                   'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.348
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89340
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            WHITE
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.110
_refine_diff_density_max         1.493
_refine_diff_density_min         -0.682
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     560
_refine_ls_number_reflns         7839
_refine_ls_number_restraints     372
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.1481
_refine_ls_R_factor_gt           0.0834
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1142P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2287
_refine_ls_wR_factor_ref         0.2620
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4202
_reflns_number_total             7839
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nj05887g2.cif
_cod_data_source_block           7303
_cod_depositor_comments
;Adding full bibliography for 7059798--7059800.cif.

 Adding full bibliography for 7059798--7059800.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C4.68 H3.51 Cl0.10 Cu0.10 N0.39 O0.39 P0.20'
_cod_database_code               7059798
_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   0.766
_shelx_estimated_absorpt_t_max   0.782
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
Cu1 Cu 0.18171(9) 0.13575(3) 0.21220(8) 0.0432(3) Uani 1 1 d . . . . .
N1 N -0.0013(5) 0.16128(16) 0.1740(4) 0.0450(12) Uani 1 1 d . U . . .
N2 N 0.2185(5) 0.19968(17) 0.2531(4) 0.0482(13) Uani 1 1 d . U . . .
N4 N 0.5299(7) 0.1741(2) 0.3079(7) 0.083(2) Uani 1 1 d . U . . .
N3 N -0.0942(7) 0.0662(2) 0.0684(6) 0.075(2) Uani 1 1 d . U . . .
P1 P 0.18905(17) 0.08977(5) 0.34670(14) 0.0453(4) Uani 1 1 d . . . . .
P2 P 0.26034(16) 0.12881(5) 0.06480(14) 0.0438(4) Uani 1 1 d . . . . .
C1 C -0.1004(7) 0.0983(2) 0.1029(6) 0.0561(17) Uani 1 1 d . U . . .
C2 C -0.1098(6) 0.1399(2) 0.1461(6) 0.0527(16) Uani 1 1 d . U . . .
C3 C -0.2239(7) 0.1546(3) 0.1565(7) 0.0664(19) Uani 1 1 d . U . . .
H3 H -0.2964 0.1382 0.1376 0.080 Uiso 1 1 calc R U . . .
C4 C -0.2277(8) 0.1950(3) 0.1967(7) 0.072(2) Uani 1 1 d . U . . .
H4 H -0.3033 0.2064 0.2044 0.086 Uiso 1 1 calc R U . . .
C5 C -0.1180(7) 0.2172(3) 0.2245(7) 0.0650(19) Uani 1 1 d . U . . .
H5 H -0.1182 0.2439 0.2532 0.078 Uiso 1 1 calc R U . . .
C6 C -0.0074(7) 0.2006(2) 0.2104(6) 0.0506(15) Uani 1 1 d . U . . .
C7 C 0.1137(7) 0.2235(2) 0.2363(6) 0.0520(16) Uani 1 1 d . U . . .
C8 C 0.1177(9) 0.2671(2) 0.2374(6) 0.0644(19) Uani 1 1 d . U . . .
H8 H 0.0437 0.2826 0.2269 0.077 Uiso 1 1 calc R U . . .
C9 C 0.2321(9) 0.2868(3) 0.2541(7) 0.068(2) Uani 1 1 d . U . . .
H9 H 0.2366 0.3159 0.2540 0.081 Uiso 1 1 calc R U . . .
C10 C 0.3409(9) 0.2631(2) 0.2710(6) 0.067(2) Uani 1 1 d . U . . .
H10 H 0.4194 0.2759 0.2816 0.080 Uiso 1 1 calc R U . . .
C11 C 0.3311(7) 0.2201(2) 0.2721(6) 0.0560(16) Uani 1 1 d . U . . .
C12 C 0.4424(8) 0.1936(3) 0.2924(6) 0.0599(19) Uani 1 1 d . U . . .
C13 C 0.2942(8) 0.1823(2) 0.0306(5) 0.0547(17) Uani 1 1 d . U . . .
C14 C 0.1961(9) 0.2114(2) 0.0135(6) 0.0629(19) Uani 1 1 d . U . . .
H14 H 0.1139 0.2021 0.0074 0.075 Uiso 1 1 calc R U . . .
C15 C 0.2186(11) 0.2535(3) 0.0055(7) 0.080(2) Uani 1 1 d . U . . .
H15 H 0.1521 0.2725 -0.0061 0.096 Uiso 1 1 calc R U . . .
C16 C 0.3393(12) 0.2672(3) 0.0148(8) 0.092(3) Uani 1 1 d . U . . .
H16 H 0.3540 0.2958 0.0109 0.110 Uiso 1 1 calc R U . . .
C17 C 0.4387(11) 0.2402(3) 0.0297(7) 0.087(2) Uani 1 1 d . U . . .
H17 H 0.5201 0.2502 0.0353 0.105 Uiso 1 1 calc R U . . .
C18 C 0.4159(9) 0.1963(3) 0.0365(6) 0.070(2) Uani 1 1 d . U . . .
H18 H 0.4822 0.1774 0.0448 0.085 Uiso 1 1 calc R U . . .
C19 C 0.4060(7) 0.0988(2) 0.0765(6) 0.0552(17) Uani 1 1 d . U . . .
C20 C 0.4637(8) 0.0947(3) -0.0079(7) 0.073(2) Uani 1 1 d . U . . .
H20 H 0.4338 0.1100 -0.0699 0.087 Uiso 1 1 calc R U . . .
C21 C 0.5635(9) 0.0684(3) -0.0004(9) 0.087(2) Uani 1 1 d . U . . .
H21 H 0.6025 0.0662 -0.0566 0.104 Uiso 1 1 calc R U . . .
C22 C 0.6058(9) 0.0454(3) 0.0894(10) 0.092(3) Uani 1 1 d . U . . .
H22 H 0.6717 0.0266 0.0922 0.110 Uiso 1 1 calc R U . . .
C23 C 0.5546(8) 0.0490(3) 0.1767(9) 0.083(2) Uani 1 1 d . U . . .
H23 H 0.5862 0.0336 0.2384 0.099 Uiso 1 1 calc R U . . .
C24 C 0.4528(7) 0.0769(2) 0.1687(7) 0.0637(19) Uani 1 1 d . U . . .
H24 H 0.4169 0.0804 0.2264 0.076 Uiso 1 1 calc R U . . .
C25 C 0.1625(7) 0.1059(2) -0.0578(6) 0.0503(16) Uani 1 1 d . U . . .
C26 C 0.1684(8) 0.0636(2) -0.0769(7) 0.068(2) Uani 1 1 d . U . . .
H26 H 0.2211 0.0468 -0.0263 0.082 Uiso 1 1 calc R U . . .
C27 C 0.0984(8) 0.0455(3) -0.1687(7) 0.078(2) Uani 1 1 d . U . . .
H27 H 0.1059 0.0170 -0.1797 0.094 Uiso 1 1 d R U . . .
C28 C 0.0218(9) 0.0697(3) -0.2440(7) 0.077(2) Uani 1 1 d . U . . .
H28 H -0.0264 0.0574 -0.3056 0.093 Uiso 1 1 d R U . . .
C29 C 0.0109(8) 0.1111(3) -0.2275(7) 0.076(2) Uani 1 1 d . U . . .
H29 H -0.0425 0.1274 -0.2787 0.092 Uiso 1 1 calc R U . . .
C30 C 0.0793(8) 0.1294(3) -0.1340(7) 0.068(2) Uani 1 1 d . U . . .
H30 H 0.0692 0.1578 -0.1222 0.082 Uiso 1 1 calc R U . . .
C31 C 0.2913(7) 0.1016(2) 0.4784(6) 0.0537(17) Uani 1 1 d . U . . .
C32 C 0.4100(8) 0.1176(2) 0.4815(7) 0.0654(19) Uani 1 1 d . U . . .
H32 H 0.4370 0.1213 0.4192 0.078 Uiso 1 1 calc R U . . .
C33 C 0.4896(9) 0.1283(3) 0.5822(8) 0.076(2) Uani 1 1 d . U . . .
H33 H 0.5690 0.1396 0.5858 0.092 Uiso 1 1 calc R U . . .
C34 C 0.4505(10) 0.1221(3) 0.6734(8) 0.084(2) Uani 1 1 d . U . . .
H34 H 0.5032 0.1292 0.7388 0.101 Uiso 1 1 calc R U . . .
C35 C 0.3359(10) 0.1058(3) 0.6686(7) 0.084(2) Uani 1 1 d . U . . .
H35 H 0.3100 0.1014 0.7311 0.101 Uiso 1 1 calc R U . . .
C36 C 0.2558(9) 0.0954(3) 0.5717(6) 0.072(2) Uani 1 1 d . U . . .
H36 H 0.1770 0.0840 0.5699 0.086 Uiso 1 1 calc R U . . .
C37 C 0.0363(7) 0.0820(2) 0.3773(6) 0.0560(17) Uani 1 1 d . U . . .
C38 C -0.0251(9) 0.1174(3) 0.4049(7) 0.074(2) Uani 1 1 d . U . . .
H38 H 0.0112 0.1438 0.4056 0.088 Uiso 1 1 calc R U . . .
C39 C -0.1408(10) 0.1128(4) 0.4313(8) 0.091(2) Uani 1 1 d . U . . .
H39 H -0.1812 0.1364 0.4493 0.110 Uiso 1 1 calc R U . . .
C40 C -0.1946(10) 0.0754(4) 0.4314(9) 0.094(3) Uani 1 1 d . U . . .
H40 H -0.2739 0.0731 0.4456 0.113 Uiso 1 1 d R U . . .
C41 C -0.1349(9) 0.0410(3) 0.4079(8) 0.092(2) Uani 1 1 d . U . . .
H41 H -0.1720 0.0149 0.4084 0.110 Uiso 1 1 d R U . . .
C42 C -0.0196(8) 0.0434(3) 0.3802(7) 0.072(2) Uani 1 1 d . U . . .
H42 H 0.0217 0.0196 0.3644 0.087 Uiso 1 1 d R U . . .
C43 C 0.2377(6) 0.0372(2) 0.3178(6) 0.0473(15) Uani 1 1 d . U . . .
C44 C 0.1915(7) 0.0224(2) 0.2160(6) 0.0575(17) Uani 1 1 d . U . . .
H44 H 0.1368 0.0389 0.1662 0.069 Uiso 1 1 calc R U . . .
C45 C 0.2256(8) -0.0170(3) 0.1869(7) 0.068(2) Uani 1 1 d . U . . .
H45 H 0.1934 -0.0268 0.1181 0.082 Uiso 1 1 calc R U . . .
C46 C 0.3067(8) -0.0410(3) 0.2600(8) 0.075(2) Uani 1 1 d . U . . .
H46 H 0.3290 -0.0676 0.2413 0.091 Uiso 1 1 calc R U . . .
C47 C 0.3551(9) -0.0262(3) 0.3606(7) 0.075(2) Uani 1 1 d . U . . .
H47 H 0.4124 -0.0424 0.4093 0.090 Uiso 1 1 calc R U . . .
C48 C 0.3194(8) 0.0128(2) 0.3907(7) 0.0629(19) Uani 1 1 d . U . . .
H48 H 0.3506 0.0224 0.4599 0.076 Uiso 1 1 calc R U . . .
Cl1 Cl 0.7363(3) 0.30844(10) 0.3592(3) 0.1008(9) Uani 1 1 d . U . . .
O1 O 0.8549(8) 0.2980(3) 0.4108(9) 0.149(3) Uani 1 1 d . U . . .
O4 O 0.6658(13) 0.2775(5) 0.3753(14) 0.229(5) Uani 1 1 d . U . . .
O2 O 0.764(2) 0.3163(6) 0.2578(15) 0.129(6) Uani 0.519(15) 1 d . U P A 1
O3 O 0.726(2) 0.3534(6) 0.3803(17) 0.122(6) Uani 0.519(15) 1 d . U P A 1
O2' O 0.672(2) 0.2910(7) 0.2609(17) 0.136(6) Uani 0.481(15) 1 d . U P A 2
O3' O 0.660(2) 0.3344(8) 0.4014(18) 0.131(6) Uani 0.481(15) 1 d . U P A 2
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'
Cu Cu -1.9646 0.5888 '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'
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 78.3(2) . . ?
N1 Cu1 P1 106.70(16) . . ?
N2 Cu1 P1 117.54(16) . . ?
N1 Cu1 P2 111.61(16) . . ?
N2 Cu1 P2 102.42(16) . . ?
P1 Cu1 P2 128.96(7) . . ?
C2 N1 C6 117.0(6) . . ?
C2 N1 Cu1 126.5(5) . . ?
C6 N1 Cu1 113.8(5) . . ?
C7 N2 C11 117.0(6) . . ?
C7 N2 Cu1 113.6(4) . . ?
C11 N2 Cu1 127.9(5) . . ?
C37 P1 C43 104.3(3) . . ?
C37 P1 C31 102.1(4) . . ?
C43 P1 C31 103.7(3) . . ?
C37 P1 Cu1 113.0(3) . . ?
C43 P1 Cu1 113.3(2) . . ?
C31 P1 Cu1 118.8(2) . . ?
C13 P2 C19 106.7(4) . . ?
C13 P2 C25 105.8(3) . . ?
C19 P2 C25 100.1(3) . . ?
C13 P2 Cu1 104.5(2) . . ?
C19 P2 Cu1 118.4(3) . . ?
C25 P2 Cu1 120.2(2) . . ?
N3 C1 C2 179.1(10) . . ?
N1 C2 C3 124.5(7) . . ?
N1 C2 C1 115.4(6) . . ?
C3 C2 C1 120.1(7) . . ?
C2 C3 C4 117.6(8) . . ?
C5 C4 C3 118.5(8) . . ?
C4 C5 C6 120.6(8) . . ?
N1 C6 C5 121.8(7) . . ?
N1 C6 C7 115.0(6) . . ?
C5 C6 C7 123.1(7) . . ?
N2 C7 C8 122.6(7) . . ?
N2 C7 C6 115.8(6) . . ?
C8 C7 C6 121.4(7) . . ?
C9 C8 C7 119.2(8) . . ?
C8 C9 C10 119.2(8) . . ?
C11 C10 C9 118.9(8) . . ?
N2 C11 C10 123.0(8) . . ?
N2 C11 C12 115.8(7) . . ?
C10 C11 C12 121.2(7) . . ?
N4 C12 C11 178.3(9) . . ?
C18 C13 C14 118.9(7) . . ?
C18 C13 P2 122.5(7) . . ?
C14 C13 P2 118.0(6) . . ?
C15 C14 C13 121.3(9) . . ?
C16 C15 C14 119.5(10) . . ?
C17 C16 C15 121.9(10) . . ?
C16 C17 C18 118.9(10) . . ?
C13 C18 C17 119.5(9) . . ?
C24 C19 C20 119.3(7) . . ?
C24 C19 P2 118.2(6) . . ?
C20 C19 P2 122.2(6) . . ?
C21 C20 C19 120.7(9) . . ?
C22 C21 C20 119.7(10) . . ?
C21 C22 C23 122.3(9) . . ?
C22 C23 C24 117.4(9) . . ?
C19 C24 C23 120.6(8) . . ?
C26 C25 C30 116.9(7) . . ?
C26 C25 P2 120.1(6) . . ?
C30 C25 P2 122.9(6) . . ?
C27 C26 C25 121.7(8) . . ?
C28 C27 C26 119.9(8) . . ?
C29 C28 C27 120.4(9) . . ?
C28 C29 C30 120.0(9) . . ?
C29 C30 C25 121.0(8) . . ?
C36 C31 C32 119.4(8) . . ?
C36 C31 P1 123.4(6) . . ?
C32 C31 P1 117.2(6) . . ?
C31 C32 C33 118.4(9) . . ?
C34 C33 C32 120.6(9) . . ?
C35 C34 C33 120.0(9) . . ?
C34 C35 C36 120.8(10) . . ?
C31 C36 C35 120.9(9) . . ?
C42 C37 C38 118.1(7) . . ?
C42 C37 P1 124.1(6) . . ?
C38 C37 P1 117.8(6) . . ?
C39 C38 C37 119.7(9) . . ?
C40 C39 C38 121.3(10) . . ?
C39 C40 C41 119.5(10) . . ?
C40 C41 C42 122.1(10) . . ?
C37 C42 C41 119.2(8) . . ?
C48 C43 C44 119.3(7) . . ?
C48 C43 P1 123.6(6) . . ?
C44 C43 P1 117.1(5) . . ?
C43 C44 C45 120.8(8) . . ?
C46 C45 C44 119.5(8) . . ?
C47 C46 C45 120.1(8) . . ?
C46 C47 C48 120.5(8) . . ?
C43 C48 C47 119.7(8) . . ?
O4 Cl1 O1 105.5(9) . . ?
O4 Cl1 O3' 87.5(13) . . ?
O1 Cl1 O3' 123.6(11) . . ?
O4 Cl1 O2' 70.2(12) . . ?
O1 Cl1 O2' 123.8(9) . . ?
O3' Cl1 O2' 112.3(13) . . ?
O4 Cl1 O2 122.8(11) . . ?
O1 Cl1 O2 96.1(9) . . ?
O4 Cl1 O3 129.6(12) . . ?
O1 Cl1 O3 104.9(9) . . ?
O2 Cl1 O3 92.4(12) . . ?
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 2.103(5) . ?
Cu1 N2 2.123(5) . ?
Cu1 P1 2.265(2) . ?
Cu1 P2 2.285(2) . ?
N1 C2 1.340(8) . ?
N1 C6 1.348(8) . ?
N2 C7 1.347(9) . ?
N2 C11 1.361(9) . ?
N4 C12 1.118(10) . ?
N3 C1 1.125(9) . ?
P1 C37 1.821(8) . ?
P1 C43 1.826(7) . ?
P1 C31 1.838(7) . ?
P2 C13 1.824(7) . ?
P2 C19 1.831(7) . ?
P2 C25 1.837(7) . ?
C1 C2 1.455(10) . ?
C2 C3 1.369(10) . ?
C3 C4 1.395(11) . ?
C4 C5 1.365(11) . ?
C5 C6 1.370(10) . ?
C6 C7 1.478(10) . ?
C7 C8 1.393(9) . ?
C8 C9 1.369(11) . ?
C9 C10 1.382(11) . ?
C10 C11 1.376(10) . ?
C11 C12 1.451(11) . ?
C13 C18 1.388(11) . ?
C13 C14 1.394(11) . ?
C14 C15 1.377(11) . ?
C15 C16 1.366(14) . ?
C16 C17 1.363(14) . ?
C17 C18 1.431(11) . ?
C19 C24 1.373(10) . ?
C19 C20 1.393(10) . ?
C20 C21 1.360(12) . ?
C21 C22 1.358(14) . ?
C22 C23 1.382(13) . ?
C23 C24 1.408(11) . ?
C25 C26 1.379(10) . ?
C25 C30 1.388(10) . ?
C26 C27 1.375(11) . ?
C27 C28 1.362(12) . ?
C28 C29 1.349(11) . ?
C29 C30 1.388(11) . ?
C31 C36 1.369(11) . ?
C31 C32 1.385(11) . ?
C32 C33 1.423(12) . ?
C33 C34 1.363(13) . ?
C34 C35 1.343(13) . ?
C35 C36 1.386(12) . ?
C37 C42 1.382(10) . ?
C37 C38 1.402(10) . ?
C38 C39 1.394(12) . ?
C39 C40 1.332(13) . ?
C40 C41 1.348(13) . ?
C41 C42 1.391(11) . ?
C43 C48 1.374(10) . ?
C43 C44 1.377(10) . ?
C44 C45 1.387(10) . ?
C45 C46 1.367(11) . ?
C46 C47 1.366(12) . ?
C47 C48 1.390(10) . ?
Cl1 O4 1.300(13) . ?
Cl1 O1 1.349(8) . ?
Cl1 O3' 1.381(17) . ?
Cl1 O2' 1.41(2) . ?
Cl1 O2 1.439(19) . ?
Cl1 O3 1.471(18) . ?
