#------------------------------------------------------------------------------
#$Date: 2020-10-06 09:21:32 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257271 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/69/7126991.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_7126991
loop_
_publ_author_name
'Moutier, F.'
'Khalil, A. M.'
'Baudron, S. A.'
'Lescop, C.'
_publ_section_title
;
 Gleaned snapshots on the road to coordination polymers: heterometallic
 architectures based on Cu(I) metallaclips and 2,2'-bis-dipyrrin
 metalloligands.
;
_journal_issue                   72
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10501
_journal_page_last               10504
_journal_paper_doi               10.1039/d0cc04862c
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C112 H76 Cl0 Cu2 F0 N14 Ni2 P4'
_chemical_formula_sum            'C112 H76 Cl0 Cu2 F0 N14 Ni2 P4'
_chemical_formula_weight         1986.25
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2020-07-01 deposited with the CCDC.	2020-07-31 downloaded from the CCDC.
;
_cell_angle_alpha                94.584(6)
_cell_angle_beta                 96.139(5)
_cell_angle_gamma                112.996(5)
_cell_formula_units_Z            2
_cell_length_a                   16.697(3)
_cell_length_b                   18.050(3)
_cell_length_c                   24.093(4)
_cell_measurement_reflns_used    9832
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.38
_cell_measurement_theta_min      2.40
_cell_volume                     6587(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       none
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0839
_diffrn_reflns_av_sigmaI/netI    0.0676
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            154595
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         2.16
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    0.691
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.001
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.555
_refine_diff_density_min         -0.730
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1207
_refine_ls_number_reflns         30338
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.1086
_refine_ls_R_factor_gt           0.0782
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1549P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2169
_refine_ls_wR_factor_ref         0.2382
_reflns_number_gt                20183
_reflns_number_total             30338
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0cc04862c2.cif
_cod_data_source_block           sq_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7126989--7126992.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7126991
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.48722(3) 0.11422(3) 0.91759(2) 0.03442(14) Uani 1 1 d . . .
Ni2 Ni -0.35556(3) 0.30495(3) 0.80451(2) 0.03519(14) Uani 1 1 d . . .
Cu1 Cu 0.05662(3) 0.27933(3) 1.245865(18) 0.02615(12) Uani 1 1 d . . .
Cu2 Cu 0.80289(3) -0.26864(3) 0.644054(19) 0.03087(12) Uani 1 1 d . . .
P1 P 0.09453(6) 0.40387(5) 1.29189(4) 0.02408(19) Uani 1 1 d . . .
P2 P 0.74127(6) -0.40330(6) 0.64751(4) 0.0279(2) Uani 1 1 d . . .
P11 P -0.02599(6) 0.15992(6) 1.27163(4) 0.0323(2) Uani 1 1 d . . .
P12 P 0.92589(8) -0.18554(6) 0.61432(4) 0.0363(2) Uani 1 1 d . . .
N1 N 0.2001(2) 0.45210(18) 1.32388(13) 0.0295(7) Uani 1 1 d . . .
N2 N -0.0197(3) 0.1505(2) 1.34113(16) 0.0475(9) Uani 1 1 d . . .
N100 N 0.1500(2) 0.2749(2) 1.20115(14) 0.0362(7) Uani 1 1 d . . .
N101 N 0.3810(2) 0.1312(2) 0.90891(16) 0.0396(8) Uani 1 1 d . . .
N102 N 0.4975(2) 0.1375(2) 0.99486(16) 0.0373(8) Uani 1 1 d . . .
N103 N 0.5787(2) 0.08281(19) 0.93799(15) 0.0342(7) Uani 1 1 d . . .
N104 N 0.5009(2) 0.0998(2) 0.84094(16) 0.0386(8) Uani 1 1 d . . .
N200 N 0.7625(2) -0.2076(2) 0.69966(14) 0.0340(7) Uani 1 1 d . . .
N300 N -0.0274(3) 0.2882(2) 1.17815(15) 0.0452(9) Uani 1 1 d . . .
N301 N -0.2704(2) 0.2669(2) 0.82923(14) 0.0362(7) Uani 1 1 d . . .
N302 N -0.3801(2) 0.3149(2) 0.87687(14) 0.0415(8) Uani 1 1 d . . .
N303 N -0.4552(2) 0.3244(2) 0.78783(14) 0.0387(8) Uani 1 1 d . . .
N304 N 0.3329(2) -0.3163(2) 0.27010(14) 0.0376(8) Uani 1 1 d . . .
N400 N 0.7131(2) -0.2740(2) 0.57060(16) 0.0456(9) Uani 1 1 d . . .
C1 C 0.0876(2) 0.4715(2) 1.24140(16) 0.0309(8) Uani 1 1 d . . .
C2 C 0.1360(3) 0.4784(2) 1.19720(17) 0.0387(9) Uani 1 1 d . . .
H2 H 0.1733 0.4514 1.1958 0.046 Uiso 1 1 calc R . .
C3 C 0.1294(3) 0.5246(3) 1.15524(19) 0.0473(11) Uani 1 1 d . . .
H3 H 0.1632 0.5300 1.1263 0.057 Uiso 1 1 calc R . .
C4 C 0.0715(3) 0.5632(3) 1.1568(3) 0.0611(15) Uani 1 1 d . . .
H4 H 0.0655 0.5932 1.1283 0.073 Uiso 1 1 calc R . .
C5 C 0.0234(4) 0.5569(3) 1.2003(3) 0.0632(15) Uani 1 1 d . . .
H5 H -0.0147 0.5831 1.2012 0.076 Uiso 1 1 calc R . .
C6 C 0.0314(3) 0.5116(3) 1.2431(2) 0.0502(12) Uani 1 1 d . . .
H6 H -0.0008 0.5081 1.2728 0.060 Uiso 1 1 calc R . .
C7 C 0.0261(3) 0.4167(2) 1.34186(18) 0.0361(9) Uani 1 1 d . . .
C8 C -0.0624(3) 0.3658(4) 1.3318(3) 0.0611(14) Uani 1 1 d . . .
H8 H -0.0839 0.3241 1.3017 0.073 Uiso 1 1 calc R . .
C9 C -0.1201(5) 0.3769(5) 1.3669(4) 0.100(3) Uani 1 1 d . . .
H9 H -0.1798 0.3434 1.3599 0.120 Uiso 1 1 calc R . .
C10 C -0.0881(6) 0.4364(5) 1.4107(3) 0.097(3) Uani 1 1 d . . .
H10 H -0.1255 0.4428 1.4348 0.116 Uiso 1 1 calc R . .
C11 C -0.0012(6) 0.4876(5) 1.4203(3) 0.096(3) Uani 1 1 d . . .
H11 H 0.0194 0.5301 1.4497 0.115 Uiso 1 1 calc R . .
C12 C 0.0556(4) 0.4773(3) 1.3873(2) 0.0645(15) Uani 1 1 d . . .
H12 H 0.1151 0.5115 1.3953 0.077 Uiso 1 1 calc R . .
C13 C 0.6995(3) -0.4583(3) 0.57645(18) 0.0413(10) Uani 1 1 d . . .
C14 C 0.6128(4) -0.5111(3) 0.5593(2) 0.0561(13) Uani 1 1 d . . .
H14 H 0.5721 -0.5202 0.5842 0.067 Uiso 1 1 calc R . .
C15 C 0.5866(5) -0.5513(3) 0.5032(2) 0.076(2) Uani 1 1 d . . .
H15 H 0.5282 -0.5866 0.4912 0.091 Uiso 1 1 calc R . .
C16 C 0.6465(5) -0.5385(4) 0.4669(3) 0.084(2) Uani 1 1 d . . .
H16 H 0.6296 -0.5688 0.4313 0.101 Uiso 1 1 calc R . .
C17 C 0.7360(4) -0.4787(3) 0.4827(2) 0.0607(14) Uani 1 1 d . . .
H17 H 0.7758 -0.4665 0.4572 0.073 Uiso 1 1 calc R . .
C18 C 0.7595(4) -0.4406(3) 0.5380(2) 0.0530(12) Uani 1 1 d . . .
H18 H 0.8166 -0.4022 0.5497 0.064 Uiso 1 1 calc R . .
C19 C 0.6459(2) -0.4288(2) 0.68416(17) 0.0329(8) Uani 1 1 d . . .
C20 C 0.5868(3) -0.3942(3) 0.6698(2) 0.0482(11) Uani 1 1 d . . .
H20 H 0.5941 -0.3630 0.6403 0.058 Uiso 1 1 calc R . .
C21 C 0.5164(3) -0.4061(3) 0.6996(3) 0.0591(14) Uani 1 1 d . . .
H21 H 0.4761 -0.3838 0.6896 0.071 Uiso 1 1 calc R . .
C22 C 0.5069(3) -0.4514(3) 0.7442(2) 0.0551(12) Uani 1 1 d . . .
H22 H 0.4611 -0.4579 0.7649 0.066 Uiso 1 1 calc R . .
C23 C 0.5643(3) -0.4866(3) 0.7583(2) 0.0496(11) Uani 1 1 d . . .
H23 H 0.5565 -0.5181 0.7876 0.059 Uiso 1 1 calc R . .
C24 C 0.6343(3) -0.4752(2) 0.72843(17) 0.0365(9) Uani 1 1 d . . .
H24 H 0.6736 -0.4987 0.7382 0.044 Uiso 1 1 calc R . .
C31 C -0.1437(3) 0.1352(3) 1.2524(2) 0.0435(10) Uani 1 1 d . . .
C32 C -0.1840(3) 0.1047(3) 1.1965(3) 0.0581(13) Uani 1 1 d . . .
H32 H -0.1518 0.0960 1.1695 0.070 Uiso 1 1 calc R . .
C33 C -0.2729(4) 0.0878(3) 1.1821(3) 0.0707(17) Uani 1 1 d . . .
H33 H -0.2996 0.0697 1.1449 0.085 Uiso 1 1 calc R . .
C34 C -0.3207(4) 0.0975(4) 1.2218(3) 0.0767(18) Uani 1 1 d . . .
H34 H -0.3807 0.0825 1.2115 0.092 Uiso 1 1 calc R . .
C35 C -0.2849(5) 0.1275(5) 1.2748(3) 0.082(2) Uani 1 1 d . . .
H35 H -0.3192 0.1346 1.3011 0.099 Uiso 1 1 calc R . .
C36 C -0.1917(4) 0.1494(4) 1.2914(3) 0.0663(15) Uani 1 1 d . . .
H36 H -0.1649 0.1726 1.3281 0.080 Uiso 1 1 calc R . .
C37 C -0.0156(3) 0.0715(2) 1.2354(2) 0.0418(10) Uani 1 1 d . . .
C38 C -0.0176(3) 0.0071(3) 1.2618(2) 0.0544(13) Uani 1 1 d . . .
H38 H -0.0237 0.0066 1.2997 0.065 Uiso 1 1 calc R . .
C39 C -0.0102(4) -0.0594(3) 1.2304(3) 0.0737(19) Uani 1 1 d . . .
H39 H -0.0099 -0.1031 1.2483 0.088 Uiso 1 1 calc R . .
C40 C -0.0034(3) -0.0601(3) 1.1740(3) 0.0665(16) Uani 1 1 d . . .
H40 H -0.0010 -0.1049 1.1535 0.080 Uiso 1 1 calc R . .
C41 C -0.0002(3) 0.0054(3) 1.1484(3) 0.0599(14) Uani 1 1 d . . .
H41 H 0.0052 0.0057 1.1104 0.072 Uiso 1 1 calc R . .
C42 C -0.0048(3) 0.0716(3) 1.1787(2) 0.0482(11) Uani 1 1 d . . .
H42 H -0.0007 0.1167 1.1611 0.058 Uiso 1 1 calc R . .
C43 C 0.9515(4) -0.2283(3) 0.5522(2) 0.0634(16) Uani 1 1 d . . .
C44 C 1.0066(6) -0.2679(5) 0.5547(3) 0.100(3) Uani 1 1 d . . .
H44 H 1.0364 -0.2692 0.5892 0.120 Uiso 1 1 calc R . .
C45 C 1.0182(12) -0.3065(8) 0.5050(5) 0.176(6) Uani 1 1 d . . .
H45 H 1.0601 -0.3285 0.5062 0.211 Uiso 1 1 calc R . .
C46 C 0.9681(10) -0.3118(5) 0.4552(4) 0.144(5) Uani 1 1 d . . .
H46 H 0.9720 -0.3423 0.4235 0.173 Uiso 1 1 calc R . .
C47 C 0.9112(7) -0.2724(5) 0.4509(3) 0.111(3) Uani 1 1 d . . .
H47 H 0.8806 -0.2735 0.4161 0.133 Uiso 1 1 calc R . .
C48 C 0.9001(5) -0.2305(4) 0.5003(2) 0.078(2) Uani 1 1 d . . .
H48 H 0.8607 -0.2055 0.4988 0.094 Uiso 1 1 calc R . .
C49 C 0.9226(4) -0.0907(3) 0.5938(2) 0.0599(14) Uani 1 1 d . . .
C50 C 0.9999(5) -0.0320(4) 0.5774(3) 0.085(2) Uani 1 1 d . . .
H50 H 1.0494 -0.0434 0.5759 0.102 Uiso 1 1 calc R . .
C51 C 1.0015(7) 0.0409(4) 0.5638(3) 0.098(3) Uani 1 1 d . . .
H51 H 1.0526 0.0804 0.5553 0.118 Uiso 1 1 calc R . .
C52 C 0.9246(8) 0.0542(5) 0.5630(4) 0.112(3) Uani 1 1 d . . .
H52 H 0.9245 0.1026 0.5526 0.134 Uiso 1 1 calc R . .
C53 C 0.8446(7) -0.0053(5) 0.5781(4) 0.120(3) Uani 1 1 d . . .
H53 H 0.7923 0.0022 0.5755 0.144 Uiso 1 1 calc R . .
C54 C 0.8511(5) -0.0753(3) 0.5969(3) 0.0692(16) Uani 1 1 d . . .
H54 H 0.8044 -0.1115 0.6118 0.083 Uiso 1 1 calc R . .
C65 C -0.2314(3) 0.2745(2) 0.8860(2) 0.0414(10) Uani 1 1 d . . .
C100 C 0.1936(3) 0.2639(2) 1.17096(17) 0.0334(8) Uani 1 1 d . . .
C101 C 0.2429(3) 0.2442(2) 1.13109(18) 0.0367(9) Uani 1 1 d . . .
C102 C 0.2011(3) 0.1739(2) 1.0934(2) 0.0404(10) Uani 1 1 d . . .
H102 H 0.1433 0.1393 1.0952 0.048 Uiso 1 1 calc R . .
C103 C 0.3309(3) 0.2949(3) 1.1299(2) 0.0432(10) Uani 1 1 d . . .
H103 H 0.3593 0.3415 1.1559 0.052 Uiso 1 1 calc R . .
C104 C 0.2461(3) 0.1548(2) 1.0526(2) 0.0405(10) Uani 1 1 d . . .
H104 H 0.2177 0.1083 1.0265 0.049 Uiso 1 1 calc R . .
C105 C 0.3754(3) 0.2753(3) 1.0900(2) 0.0474(11) Uani 1 1 d . . .
H105 H 0.4338 0.3089 1.0890 0.057 Uiso 1 1 calc R . .
C106 C 0.3330(3) 0.2051(2) 1.0509(2) 0.0388(9) Uani 1 1 d . . .
C107 C 0.3819(3) 0.1814(2) 1.0086(2) 0.0388(9) Uani 1 1 d . . .
C108 C 0.3470(3) 0.1635(3) 0.9509(2) 0.0403(9) Uani 1 1 d . . .
C109 C 0.2661(3) 0.1647(3) 0.9255(2) 0.0540(12) Uani 1 1 d . . .
H109 H 0.2309 0.1852 0.9433 0.065 Uiso 1 1 calc R . .
C110 C 0.2496(3) 0.1309(4) 0.8711(2) 0.0589(13) Uani 1 1 d . . .
H110 H 0.2015 0.1234 0.8445 0.071 Uiso 1 1 calc R . .
C111 C 0.3207(3) 0.1092(3) 0.8631(2) 0.0457(10) Uani 1 1 d . . .
H111 H 0.3249 0.0826 0.8295 0.055 Uiso 1 1 calc R . .
C112 C 0.4561(3) 0.1691(2) 1.0301(2) 0.0386(9) Uani 1 1 d . . .
C113 C 0.4938(3) 0.1734(3) 1.0864(2) 0.0440(10) Uani 1 1 d . . .
H113 H 0.4792 0.1942 1.1185 0.053 Uiso 1 1 calc R . .
C114 C 0.5568(3) 0.1406(3) 1.0851(2) 0.0431(10) Uani 1 1 d . . .
H114 H 0.5913 0.1345 1.1159 0.052 Uiso 1 1 calc R . .
C200 C 0.7368(3) -0.1698(2) 0.72678(17) 0.0331(8) Uani 1 1 d . . .
C201 C 0.7035(3) -0.1208(2) 0.76026(17) 0.0344(8) Uani 1 1 d . . .
C202 C 0.7603(3) -0.0528(3) 0.7963(2) 0.0408(10) Uani 1 1 d . . .
H202 H 0.8207 -0.0387 0.8004 0.049 Uiso 1 1 calc R . .
C203 C 0.6120(3) -0.1427(3) 0.75336(19) 0.0414(10) Uani 1 1 d . . .
H203 H 0.5737 -0.1890 0.7296 0.050 Uiso 1 1 calc R . .
C204 C 0.7268(3) -0.0059(2) 0.82616(19) 0.0380(9) Uani 1 1 d . . .
H204 H 0.7650 0.0392 0.8511 0.046 Uiso 1 1 calc R . .
C205 C 0.5803(3) -0.0936(3) 0.7827(2) 0.0424(10) Uani 1 1 d . . .
H205 H 0.5201 -0.1066 0.7778 0.051 Uiso 1 1 calc R . .
C206 C 0.6368(3) -0.0252(2) 0.81951(18) 0.0340(8) Uani 1 1 d . . .
C207 C 0.5992(3) 0.0259(2) 0.84964(19) 0.0358(9) Uani 1 1 d . . .
C208 C 0.5466(3) 0.0560(2) 0.8175(2) 0.0387(9) Uani 1 1 d . . .
C209 C 0.5435(3) 0.0628(3) 0.7593(2) 0.0481(11) Uani 1 1 d . . .
H209 H 0.5671 0.0384 0.7340 0.058 Uiso 1 1 calc R . .
C210 C 0.5003(4) 0.1110(3) 0.7466(2) 0.0542(12) Uani 1 1 d . . .
H210 H 0.4889 0.1265 0.7117 0.065 Uiso 1 1 calc R . .
C211 C 0.4762(3) 0.1324(3) 0.7990(2) 0.0478(11) Uani 1 1 d . . .
H211 H 0.4462 0.1659 0.8029 0.057 Uiso 1 1 calc R . .
C212 C 0.6160(2) 0.0392(2) 0.90809(19) 0.0351(9) Uani 1 1 d . . .
C213 C 0.6672(3) 0.0146(2) 0.94792(19) 0.0378(9) Uani 1 1 d . . .
H213 H 0.7011 -0.0141 0.9395 0.045 Uiso 1 1 calc R . .
C214 C 0.6575(3) 0.0410(2) 1.0012(2) 0.0397(9) Uani 1 1 d . . .
H214 H 0.6827 0.0335 1.0355 0.048 Uiso 1 1 calc R . .
C215 C 0.6010(3) 0.0818(2) 0.9926(2) 0.0370(9) Uani 1 1 d . . .
C216 C 0.5573(3) 0.1184(2) 1.02704(19) 0.0365(9) Uani 1 1 d . . .
C300 C -0.0699(3) 0.2955(3) 1.14024(19) 0.0468(11) Uani 1 1 d . . .
C301 C -0.1218(3) 0.3005(3) 1.09133(19) 0.0496(12) Uani 1 1 d . . .
C302 C -0.1660(4) 0.2294(3) 1.0543(2) 0.0624(14) Uani 1 1 d . . .
H302 H -0.1652 0.1807 1.0638 0.075 Uiso 1 1 calc R . .
C303 C -0.1348(5) 0.3687(4) 1.0791(3) 0.0774(19) Uani 1 1 d . . .
H303 H -0.1113 0.4149 1.1057 0.093 Uiso 1 1 calc R . .
C304 C -0.2109(4) 0.2313(4) 1.0036(2) 0.0724(18) Uani 1 1 d . . .
H304 H -0.2399 0.1834 0.9789 0.087 Uiso 1 1 calc R . .
C305 C -0.1819(4) 0.3709(3) 1.0285(3) 0.0699(17) Uani 1 1 d . . .
H305 H -0.1915 0.4169 1.0214 0.084 Uiso 1 1 calc R . .
C306 C -0.2143(3) 0.3006(3) 0.98855(19) 0.0487(12) Uani 1 1 d . . .
C307 C -0.2606(3) 0.2987(2) 0.93220(18) 0.0419(11) Uani 1 1 d . . .
C308 C -0.1670(3) 0.2401(3) 0.8842(2) 0.0492(12) Uani 1 1 d . . .
H308 H -0.1297 0.2384 0.9151 0.059 Uiso 1 1 calc R . .
C309 C -0.1694(3) 0.2108(3) 0.8307(2) 0.0485(11) Uani 1 1 d . . .
H309 H -0.1349 0.1854 0.8176 0.058 Uiso 1 1 calc R . .
C310 C -0.2356(3) 0.2266(2) 0.7982(2) 0.0419(10) Uani 1 1 d . . .
H310 H -0.2526 0.2107 0.7596 0.050 Uiso 1 1 calc R . .
C311 C -0.3348(3) 0.3174(2) 0.92834(18) 0.0397(10) Uani 1 1 d . . .
C312 C -0.3836(3) 0.3336(3) 0.96919(19) 0.0506(12) Uani 1 1 d . . .
H312 H -0.3683 0.3390 1.0080 0.061 Uiso 1 1 calc R . .
C313 C -0.4566(3) 0.3398(3) 0.94226(19) 0.0474(11) Uani 1 1 d . . .
H313 H -0.5001 0.3494 0.9587 0.057 Uiso 1 1 calc R . .
C314 C -0.4519(3) 0.3283(3) 0.88381(19) 0.0446(10) Uani 1 1 d . . .
C315 C -0.5005(3) 0.3276(3) 0.83109(17) 0.0400(9) Uani 1 1 d . . .
C316 C -0.5846(3) 0.3215(3) 0.8087(2) 0.0480(11) Uani 1 1 d . . .
H316 H -0.6281 0.3231 0.8293 0.058 Uiso 1 1 calc R . .
C400 C 0.6789(3) -0.2781(3) 0.52692(18) 0.0446(11) Uani 1 1 d . . .
C401 C 0.6325(3) -0.2841(2) 0.47125(18) 0.0431(11) Uani 1 1 d . . .
C402 C 0.5987(4) -0.2256(3) 0.4600(2) 0.0563(14) Uani 1 1 d . . .
H402 H 0.6094 -0.1817 0.4870 0.068 Uiso 1 1 calc R . .
C403 C 0.6198(3) -0.3468(3) 0.42998(18) 0.0415(10) Uani 1 1 d . . .
H403 H 0.6433 -0.3847 0.4371 0.050 Uiso 1 1 calc R . .
C404 C 0.5500(4) -0.2345(3) 0.4087(2) 0.0531(13) Uani 1 1 d . . .
H404 H 0.5264 -0.1968 0.4013 0.064 Uiso 1 1 calc R . .
C405 C 0.5714(3) -0.3534(2) 0.37752(18) 0.0402(10) Uani 1 1 d . . .
H405 H 0.5641 -0.3949 0.3494 0.048 Uiso 1 1 calc R . .
C406 C 0.5348(3) -0.2991(2) 0.36706(18) 0.0399(10) Uani 1 1 d . . .
C407 C 0.4787(3) -0.3076(2) 0.31231(16) 0.0365(9) Uani 1 1 d . . .
C408 C 0.3916(3) -0.3145(2) 0.31618(16) 0.0370(9) Uani 1 1 d . . .
C409 C 0.3473(3) -0.3291(2) 0.36326(18) 0.0433(10) Uani 1 1 d . . .
H409 H 0.3719 -0.3289 0.3998 0.052 Uiso 1 1 calc R . .
C410 C 0.2608(3) -0.3437(2) 0.34525(18) 0.0418(10) Uani 1 1 d . . .
H410 H 0.2156 -0.3563 0.3670 0.050 Uiso 1 1 calc R . .
C411 C 0.2542(3) -0.3359(2) 0.28792(18) 0.0394(9) Uani 1 1 d . . .
H411 H 0.2025 -0.3432 0.2651 0.047 Uiso 1 1 calc R . .
C412 C 0.5090(3) -0.3139(2) 0.26206(17) 0.0378(9) Uani 1 1 d . . .
C413 C -0.5907(3) 0.3130(3) 0.75134(19) 0.0450(10) Uani 1 1 d . . .
H413 H -0.6391 0.3076 0.7258 0.054 Uiso 1 1 calc R . .
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'
F F 0.0171 0.0103 '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'
Ni Ni 0.3393 1.1124 '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'
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
N102 Ni1 N103 81.96(15) . . ?
N102 Ni1 N104 168.88(16) . . ?
N103 Ni1 N104 89.85(15) . . ?
N102 Ni1 N101 89.61(16) . . ?
N103 Ni1 N101 166.97(16) . . ?
N104 Ni1 N101 99.70(16) . . ?
N303 Ni2 N302 82.09(16) . . ?
N303 Ni2 N301 167.41(16) . . ?
N302 Ni2 N301 90.50(16) . . ?
N303 Ni2 N304 90.01(16) . 2_556 ?
N302 Ni2 N304 167.59(16) . 2_556 ?
N301 Ni2 N304 98.88(15) . 2_556 ?
N100 Cu1 N300 96.38(16) . . ?
N100 Cu1 P11 113.90(10) . . ?
N300 Cu1 P11 101.74(11) . . ?
N100 Cu1 P1 111.45(10) . . ?
N300 Cu1 P1 97.24(11) . . ?
P11 Cu1 P1 127.95(4) . . ?
N200 Cu2 N400 97.87(14) . . ?
N200 Cu2 P12 111.18(11) . . ?
N400 Cu2 P12 96.15(12) . . ?
N200 Cu2 P2 111.66(11) . . ?
N400 Cu2 P2 94.18(11) . . ?
P12 Cu2 P2 133.89(4) . . ?
N1 P1 C7 106.86(19) . . ?
N1 P1 C1 101.84(17) . . ?
C7 P1 C1 102.75(18) . . ?
N1 P1 Cu1 116.42(11) . . ?
C7 P1 Cu1 117.89(14) . . ?
C1 P1 Cu1 109.05(13) . . ?
N1 P2 C19 105.17(18) 2_657 . ?
N1 P2 C13 102.85(17) 2_657 . ?
C19 P2 C13 105.8(2) . . ?
N1 P2 Cu2 121.37(12) 2_657 . ?
C19 P2 Cu2 110.26(13) . . ?
C13 P2 Cu2 110.18(15) . . ?
N2 P11 C31 101.3(2) . . ?
N2 P11 C37 107.1(2) . . ?
C31 P11 C37 101.8(2) . . ?
N2 P11 Cu1 118.30(14) . . ?
C31 P11 Cu1 111.35(15) . . ?
C37 P11 Cu1 114.96(16) . . ?
N2 P12 C43 103.9(3) 2_657 . ?
N2 P12 C49 101.3(2) 2_657 . ?
C43 P12 C49 102.6(3) . . ?
N2 P12 Cu2 118.14(13) 2_657 . ?
C43 P12 Cu2 114.22(18) . . ?
C49 P12 Cu2 114.7(2) . . ?
P2 N1 P1 123.18(18) 2_657 . ?
P12 N2 P11 123.9(2) 2_657 . ?
C100 N100 Cu1 170.5(3) . . ?
C111 N101 C108 105.8(4) . . ?
C111 N101 Ni1 127.1(3) . . ?
C108 N101 Ni1 126.9(3) . . ?
C216 N102 C112 108.3(4) . . ?
C216 N102 Ni1 116.9(3) . . ?
C112 N102 Ni1 134.8(3) . . ?
C215 N103 C212 107.6(3) . . ?
C215 N103 Ni1 117.6(3) . . ?
C212 N103 Ni1 132.4(3) . . ?
C211 N104 C208 105.2(4) . . ?
C211 N104 Ni1 128.0(3) . . ?
C208 N104 Ni1 126.6(3) . . ?
C200 N200 Cu2 173.1(3) . . ?
C300 N300 Cu1 176.8(4) . . ?
C310 N301 C65 106.5(4) . . ?
C310 N301 Ni2 127.5(3) . . ?
C65 N301 Ni2 126.0(3) . . ?
C314 N302 C311 109.8(4) . . ?
C314 N302 Ni2 117.7(3) . . ?
C311 N302 Ni2 132.4(3) . . ?
C315 N303 C412 108.5(4) . 2_556 ?
C315 N303 Ni2 116.7(3) . . ?
C412 N303 Ni2 131.8(3) 2_556 . ?
C411 N304 C408 106.4(4) . . ?
C411 N304 Ni2 126.5(3) . 2_556 ?
C408 N304 Ni2 126.8(3) . 2_556 ?
C400 N400 Cu2 166.4(4) . . ?
C2 C1 C6 119.3(4) . . ?
C2 C1 P1 117.9(3) . . ?
C6 C1 P1 122.7(3) . . ?
C3 C2 C1 120.9(4) . . ?
C2 C3 C4 119.3(5) . . ?
C5 C4 C3 120.3(4) . . ?
C4 C5 C6 120.4(5) . . ?
C5 C6 C1 119.8(5) . . ?
C12 C7 C8 118.2(4) . . ?
C12 C7 P1 124.0(4) . . ?
C8 C7 P1 117.7(3) . . ?
C7 C8 C9 120.2(6) . . ?
C10 C9 C8 119.3(7) . . ?
C9 C10 C11 120.7(6) . . ?
C12 C11 C10 120.8(7) . . ?
C11 C12 C7 120.8(6) . . ?
C14 C13 C18 120.4(4) . . ?
C14 C13 P2 123.2(4) . . ?
C18 C13 P2 116.2(3) . . ?
C13 C14 C15 119.1(6) . . ?
C16 C15 C14 120.4(6) . . ?
C15 C16 C17 121.1(5) . . ?
C18 C17 C16 116.8(6) . . ?
C17 C18 C13 121.8(5) . . ?
C20 C19 C24 119.4(4) . . ?
C20 C19 P2 117.4(3) . . ?
C24 C19 P2 122.9(3) . . ?
C19 C20 C21 120.0(5) . . ?
C22 C21 C20 119.6(5) . . ?
C23 C22 C21 120.7(5) . . ?
C22 C23 C24 119.8(5) . . ?
C19 C24 C23 120.4(4) . . ?
C36 C31 C32 119.7(5) . . ?
C36 C31 P11 120.8(4) . . ?
C32 C31 P11 119.5(4) . . ?
C33 C32 C31 119.1(6) . . ?
C34 C33 C32 120.6(6) . . ?
C35 C34 C33 122.3(6) . . ?
C34 C35 C36 119.2(6) . . ?
C31 C36 C35 119.0(6) . . ?
C38 C37 C42 119.6(4) . . ?
C38 C37 P11 122.4(4) . . ?
C42 C37 P11 118.0(3) . . ?
C37 C38 C39 118.7(6) . . ?
C40 C39 C38 121.1(5) . . ?
C41 C40 C39 119.3(5) . . ?
C40 C41 C42 120.4(6) . . ?
C41 C42 C37 120.7(5) . . ?
C44 C43 C48 121.0(6) . . ?
C44 C43 P12 122.3(5) . . ?
C48 C43 P12 115.9(5) . . ?
C43 C44 C45 120.0(9) . . ?
C46 C45 C44 120.2(11) . . ?
C45 C46 C47 121.3(8) . . ?
C46 C47 C48 119.6(8) . . ?
C43 C48 C47 117.5(8) . . ?
C54 C49 C50 120.8(6) . . ?
C54 C49 P12 120.5(4) . . ?
C50 C49 P12 118.6(5) . . ?
C51 C50 C49 120.5(8) . . ?
C50 C51 C52 118.4(8) . . ?
C51 C52 C53 122.1(7) . . ?
C54 C53 C52 115.8(8) . . ?
C49 C54 C53 121.8(7) . . ?
C307 C65 N301 125.0(4) . . ?
C307 C65 C308 128.3(4) . . ?
N301 C65 C308 106.1(4) . . ?
N100 C100 C101 175.5(4) . . ?
C102 C101 C103 120.4(4) . . ?
C102 C101 C100 118.4(4) . . ?
C103 C101 C100 121.2(4) . . ?
C101 C102 C104 119.7(4) . . ?
C105 C103 C101 119.6(4) . . ?
C106 C104 C102 120.1(4) . . ?
C103 C105 C106 120.3(4) . . ?
C104 C106 C105 119.9(4) . . ?
C104 C106 C107 119.4(4) . . ?
C105 C106 C107 120.7(4) . . ?
C112 C107 C108 122.6(4) . . ?
C112 C107 C106 116.7(4) . . ?
C108 C107 C106 120.3(4) . . ?
N101 C108 C107 125.0(4) . . ?
N101 C108 C109 107.6(4) . . ?
C107 C108 C109 127.0(4) . . ?
C110 C109 C108 108.3(4) . . ?
C109 C110 C111 105.7(5) . . ?
N101 C111 C110 112.4(4) . . ?
N102 C112 C107 120.2(4) . . ?
N102 C112 C113 108.6(4) . . ?
C107 C112 C113 130.7(4) . . ?
C114 C113 C112 107.7(4) . . ?
C113 C114 C216 106.0(4) . . ?
N200 C200 C201 178.7(4) . . ?
C202 C201 C203 120.9(4) . . ?
C202 C201 C200 120.8(4) . . ?
C203 C201 C200 118.3(4) . . ?
C201 C202 C204 119.5(4) . . ?
C205 C203 C201 118.5(4) . . ?
C202 C204 C206 121.0(4) . . ?
C203 C205 C206 121.2(4) . . ?
C204 C206 C205 118.9(4) . . ?
C204 C206 C207 122.2(4) . . ?
C205 C206 C207 119.0(4) . . ?
C212 C207 C208 123.6(4) . . ?
C212 C207 C206 118.3(4) . . ?
C208 C207 C206 118.1(4) . . ?
C207 C208 C209 126.7(4) . . ?
C207 C208 N104 123.9(4) . . ?
C209 C208 N104 108.3(4) . . ?
C210 C209 C208 108.6(4) . . ?
C209 C210 C211 104.5(5) . . ?
N104 C211 C210 113.3(4) . . ?
N103 C212 C207 120.3(4) . . ?
N103 C212 C213 107.6(4) . . ?
C207 C212 C213 132.1(4) . . ?
C214 C213 C212 107.8(4) . . ?
C213 C214 C215 105.3(4) . . ?
N103 C215 C214 111.5(4) . . ?
N103 C215 C216 111.6(4) . . ?
C214 C215 C216 136.8(4) . . ?
N102 C216 C114 109.4(4) . . ?
N102 C216 C215 111.3(4) . . ?
C114 C216 C215 139.3(4) . . ?
N300 C300 C301 176.4(5) . . ?
C303 C301 C302 118.0(4) . . ?
C303 C301 C300 125.5(4) . . ?
C302 C301 C300 116.4(4) . . ?
C304 C302 C301 119.6(5) . . ?
C301 C303 C305 122.4(5) . . ?
C306 C304 C302 122.0(5) . . ?
C303 C305 C306 117.2(5) . . ?
C304 C306 C305 119.5(5) . . ?
C304 C306 C307 118.9(4) . . ?
C305 C306 C307 121.2(4) . . ?
C65 C307 C311 122.8(4) . . ?
C65 C307 C306 118.1(4) . . ?
C311 C307 C306 119.0(4) . . ?
C309 C308 C65 109.2(4) . . ?
C308 C309 C310 105.8(4) . . ?
N301 C310 C309 112.2(4) . . ?
N302 C311 C307 120.6(4) . . ?
N302 C311 C312 106.1(4) . . ?
C307 C311 C312 133.1(4) . . ?
C313 C312 C311 109.2(4) . . ?
C312 C313 C314 105.4(5) . . ?
N302 C314 C313 109.5(4) . . ?
N302 C314 C315 111.7(4) . . ?
C313 C314 C315 138.8(5) . . ?
N303 C315 C316 108.8(4) . . ?
N303 C315 C314 111.1(4) . . ?
C316 C315 C314 139.8(5) . . ?
C413 C316 C315 107.7(4) . . ?
N400 C400 C401 178.3(6) . . ?
C403 C401 C402 120.1(4) . . ?
C403 C401 C400 120.8(4) . . ?
C402 C401 C400 119.0(4) . . ?
C404 C402 C401 118.8(4) . . ?
C401 C403 C405 119.8(4) . . ?
C402 C404 C406 121.5(4) . . ?
C406 C405 C403 120.5(4) . . ?
C405 C406 C404 119.1(4) . . ?
C405 C406 C407 121.4(4) . . ?
C404 C406 C407 119.5(4) . . ?
C412 C407 C408 123.5(3) . . ?
C412 C407 C406 120.8(4) . . ?
C408 C407 C406 115.5(4) . . ?
N304 C408 C409 108.7(4) . . ?
N304 C408 C407 123.3(4) . . ?
C409 C408 C407 127.7(4) . . ?
C410 C409 C408 107.3(4) . . ?
C409 C410 C411 106.5(4) . . ?
N304 C411 C410 111.0(4) . . ?
N303 C412 C407 119.8(4) 2_556 . ?
N303 C412 C413 107.6(4) 2_556 2_556 ?
C407 C412 C413 132.6(4) . 2_556 ?
C316 C413 C412 107.3(4) . 2_556 ?
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
Ni1 N102 1.850(4) . ?
Ni1 N103 1.859(3) . ?
Ni1 N104 1.895(4) . ?
Ni1 N101 1.908(4) . ?
Ni2 N303 1.841(4) . ?
Ni2 N302 1.844(4) . ?
Ni2 N301 1.870(3) . ?
Ni2 N304 1.887(4) 2_556 ?
Cu1 N100 2.010(4) . ?
Cu1 N300 2.093(3) . ?
Cu1 P11 2.2378(12) . ?
Cu1 P1 2.2412(11) . ?
Cu2 N200 2.001(3) . ?
Cu2 N400 2.164(3) . ?
Cu2 P12 2.2495(13) . ?
Cu2 P2 2.2516(12) . ?
P1 N1 1.692(3) . ?
P1 C7 1.807(4) . ?
P1 C1 1.817(4) . ?
P2 N1 1.684(3) 2_657 ?
P2 C19 1.822(4) . ?
P2 C13 1.826(4) . ?
P11 N2 1.693(4) . ?
P11 C31 1.834(4) . ?
P11 C37 1.834(4) . ?
P12 N2 1.662(4) 2_657 ?
P12 C43 1.797(5) . ?
P12 C49 1.839(5) . ?
N1 P2 1.684(3) 2_657 ?
N2 P12 1.662(4) 2_657 ?
N100 C100 1.142(5) . ?
N101 C111 1.331(6) . ?
N101 C108 1.405(5) . ?
N102 C216 1.365(6) . ?
N102 C112 1.372(5) . ?
N103 C215 1.332(6) . ?
N103 C212 1.385(5) . ?
N104 C211 1.316(6) . ?
N104 C208 1.422(5) . ?
N200 C200 1.138(5) . ?
N300 C300 1.144(5) . ?
N301 C310 1.327(6) . ?
N301 C65 1.423(5) . ?
N302 C314 1.336(6) . ?
N302 C311 1.370(5) . ?
N303 C315 1.362(6) . ?
N303 C412 1.374(5) 2_556 ?
N304 C411 1.348(6) . ?
N304 C408 1.389(5) . ?
N304 Ni2 1.887(4) 2_556 ?
N400 C400 1.124(5) . ?
C1 C2 1.389(6) . ?
C1 C6 1.394(6) . ?
C2 C3 1.384(6) . ?
C3 C4 1.396(8) . ?
C4 C5 1.373(9) . ?
C5 C6 1.392(7) . ?
C7 C12 1.383(7) . ?
C7 C8 1.383(7) . ?
C8 C9 1.409(8) . ?
C9 C10 1.342(11) . ?
C10 C11 1.363(11) . ?
C11 C12 1.357(8) . ?
C13 C14 1.381(7) . ?
C13 C18 1.400(7) . ?
C14 C15 1.420(7) . ?
C15 C16 1.364(10) . ?
C16 C17 1.447(10) . ?
C17 C18 1.390(6) . ?
C19 C20 1.388(6) . ?
C19 C24 1.391(6) . ?
C20 C21 1.398(7) . ?
C21 C22 1.387(8) . ?
C22 C23 1.370(7) . ?
C23 C24 1.393(6) . ?
C31 C36 1.369(7) . ?
C31 C32 1.403(7) . ?
C32 C33 1.391(7) . ?
C33 C34 1.351(9) . ?
C34 C35 1.325(10) . ?
C35 C36 1.450(9) . ?
C37 C38 1.361(6) . ?
C37 C42 1.398(7) . ?
C38 C39 1.421(8) . ?
C39 C40 1.376(9) . ?
C40 C41 1.362(9) . ?
C41 C42 1.382(7) . ?
C43 C44 1.367(10) . ?
C43 C48 1.427(9) . ?
C44 C45 1.405(11) . ?
C45 C46 1.360(16) . ?
C46 C47 1.392(15) . ?
C47 C48 1.428(10) . ?
C49 C54 1.335(8) . ?
C49 C50 1.433(9) . ?
C50 C51 1.371(10) . ?
C51 C52 1.395(13) . ?
C52 C53 1.454(13) . ?
C53 C54 1.415(8) . ?
C65 C307 1.367(7) . ?
C65 C308 1.439(7) . ?
C100 C101 1.438(5) . ?
C101 C102 1.383(6) . ?
C101 C103 1.400(6) . ?
C102 C104 1.399(6) . ?
C103 C105 1.381(6) . ?
C104 C106 1.384(6) . ?
C105 C106 1.399(6) . ?
C106 C107 1.507(5) . ?
C107 C112 1.396(6) . ?
C107 C108 1.409(7) . ?
C108 C109 1.432(7) . ?
C109 C110 1.353(8) . ?
C110 C111 1.414(6) . ?
C112 C113 1.416(7) . ?
C113 C114 1.395(6) . ?
C114 C216 1.427(6) . ?
C200 C201 1.451(5) . ?
C201 C202 1.380(6) . ?
C201 C203 1.408(6) . ?
C202 C204 1.381(6) . ?
C203 C205 1.381(6) . ?
C204 C206 1.392(5) . ?
C205 C206 1.392(6) . ?
C206 C207 1.487(5) . ?
C207 C212 1.389(6) . ?
C207 C208 1.401(6) . ?
C208 C209 1.413(7) . ?
C209 C210 1.364(7) . ?
C210 C211 1.434(7) . ?
C212 C213 1.427(6) . ?
C213 C214 1.382(6) . ?
C214 C215 1.413(6) . ?
C215 C216 1.442(6) . ?
C300 C301 1.417(6) . ?
C301 C303 1.379(7) . ?
C301 C302 1.387(7) . ?
C302 C304 1.374(7) . ?
C303 C305 1.390(8) . ?
C304 C306 1.351(7) . ?
C305 C306 1.410(7) . ?
C306 C307 1.480(5) . ?
C307 C311 1.402(7) . ?
C308 C309 1.344(7) . ?
C309 C310 1.418(6) . ?
C311 C312 1.425(7) . ?
C312 C313 1.366(7) . ?
C313 C314 1.422(6) . ?
C314 C315 1.429(6) . ?
C315 C316 1.407(6) . ?
C316 C413 1.367(7) . ?
C400 C401 1.450(5) . ?
C401 C403 1.380(6) . ?
C401 C402 1.409(6) . ?
C402 C404 1.365(6) . ?
C403 C405 1.395(5) . ?
C404 C406 1.399(6) . ?
C405 C406 1.368(6) . ?
C406 C407 1.494(5) . ?
C407 C412 1.374(6) . ?
C407 C408 1.425(6) . ?
C408 C409 1.407(6) . ?
C409 C410 1.376(7) . ?
C410 C411 1.397(6) . ?
C412 N303 1.374(5) 2_556 ?
C412 C413 1.429(6) 2_556 ?
C413 C412 1.429(6) 2_556 ?
