# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2018

data_NRCP1
_audit_creation_date              2018-03-07
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelxl_version_number            2014-3
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_id_orcid     ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
;
_chemical_name_common             ?
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety
'C36 H40 N14 Np O13, C18 H18 N12 O6, Cl O4, H2 O'
_chemical_formula_sum             'C54 H60 Cl N26 Np O24'
_chemical_formula_weight          1729.73
_chemical_melting_point           ?
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'
 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Np' 'Np' -11.4937 4.1493
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system       'triclinic'
_space_group_IT_number            2
_space_group_name_H-M_alt         'P -1'
_space_group_name_Hall            '-P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                    15.2162(9)
_cell_length_b                    15.3864(9)
_cell_length_c                    15.6650(9)
_cell_angle_alpha                 73.052(2)
_cell_angle_beta                  82.550(2)
_cell_angle_gamma                 67.868(2)
_cell_volume                      3248.9(3)
_cell_formula_units_Z             2
_cell_measurement_reflns_used     9761
_cell_measurement_temperature     170(2)
_cell_measurement_theta_max       27.495
_cell_measurement_theta_min       3.05
_shelx_estimated_absorpt_T_max    0.722
_shelx_estimated_absorpt_T_min    0.630
_exptl_absorpt_coefficient_mu     1.744
_exptl_absorpt_correction_T_max   0.7456
_exptl_absorpt_correction_T_min   0.7019
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0609 before and 0.0518 after correction. The Ratio of minimum to maximum transmission is 0.9414. The λ/2 correction factor is Not present.'
_exptl_crystal_colour              'yellow green'
_exptl_crystal_colour_modifier     yellow
_exptl_crystal_colour_primary      green
_exptl_crystal_density_diffrn     1.768
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        block
_exptl_crystal_F_000              1736
_exptl_crystal_size_max           0.292
_exptl_crystal_size_mid           0.206
_exptl_crystal_size_min           0.2
_exptl_special_details
;
 ?
;
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0391
_diffrn_reflns_av_unetI/netI      0.0285
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max        19
_diffrn_reflns_limit_h_min        -19
_diffrn_reflns_limit_k_max        20
_diffrn_reflns_limit_k_min        -20
_diffrn_reflns_limit_l_max        20
_diffrn_reflns_limit_l_min        -20
_diffrn_reflns_number             83878
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full         25.242
_diffrn_reflns_theta_max          27.583
_diffrn_reflns_theta_min          2.916
_diffrn_ambient_temperature       170.0
_diffrn_detector_area_resol_mean  8
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type   'Bruker APEX-II CCD'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_radiation_monochromator   graphite
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    'sealed tube'
_diffrn_standards_number          0
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 13448
_reflns_number_total              14959
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression      'I > 2σ(I)'
_computing_cell_refinement        'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection        ?
_computing_data_reduction         'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'XL (Sheldrick, 2008)'
_computing_structure_solution     'ShelXS-1997 (Sheldrick, 2008)'
_refine_diff_density_max          2.178
_refine_diff_density_min          -1.638
_refine_diff_density_rms          0.117
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.061
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      959
_refine_ls_number_reflns          14959
_refine_ls_number_restraints      24
_refine_ls_R_factor_all           0.0395
_refine_ls_R_factor_gt            0.0334
_refine_ls_restrained_S_all       1.102
_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)+(0.0446P)²+8.6489P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.0879
_refine_ls_wR_factor_ref          0.0911
_refine_special_details
;
 ?
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O19) \\sim Ueq, Uanis(O20) \\sim Ueq, Uanis(O21) \\sim Ueq, Uanis(O22)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
3.a Free rotating group:
 O2W(H2WA,H2WB)
3.b Rotating group:
 O1W(H1WA,H1WB)
3.c Ternary CH refined with riding coordinates:
 C01K(H01K), C02J(H02J), C02L(H02L), C02M(H02M), C023(H023), C025(H025),
 C01H(H01H), C01W(H01W), C01Z(H01Z), C02A(H02I), C02K(H02O), C021(H021)
3.d Secondary CH2 refined with riding coordinates:
 C01F(H01A,H01B), C01X(H01C,H01D), C02R(H02A,H02B), C02T(H02C,H02D), C024(H02E,
 H02F), C028(H02G,H02H), C01Y(H01M,H01N), C02B(H02T,H02U), C02C(H02V,H02W),
 C02P(H02Z,H), C02S(H02,HA), C020(H0AA,HB), C01M(H01E,H01F), C01S(H01G,H01I),
 C01V(H01J,H01L), C02G(H02K,H02N), C02N(H02P,H02Q), C02Q(H02R,H02S)
3.e Aromatic/amide H refined with riding coordinates:
 C01O(H01O), C01P(H01P), C01T(H01T), C01U(H01U), C02F(H02X), C02O(H02Y),
 C026(H026), C029(H029)
;
_atom_sites_solution_hydrogens    mixed
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    ?
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
 C01A C 1.3003(2) -0.5175(2) 0.4200(2) 0.0189(6) Uani 1 1 d . . . . .
 C01C C 0.9780(2) -0.3378(3) 0.2288(2) 0.0241(7) Uani 1 1 d . . . . .
 C01F C 0.6643(2) -0.5196(2) 0.4493(2) 0.0220(7) Uani 1 1 d . . . . .
 H01A H 0.6309 -0.5627 0.4458 0.026 Uiso 1 1 calc R . . . .
 H01B H 0.6175 -0.4523 0.4374 0.026 Uiso 1 1 calc R . . . .
 C01K C 1.2723(2) -0.3546(2) 0.4036(3) 0.0229(7) Uani 1 1 d . . . . .
 H01K H 1.3229 -0.3263 0.3971 0.028 Uiso 1 1 calc R . . . .
 C01Q C 0.7586(2) -0.4446(2) 0.3315(2) 0.0187(6) Uani 1 1 d . . . . .
 C01X C 1.2764(2) -0.5228(3) 0.2705(2) 0.0246(7) Uani 1 1 d . . . . .
 H01C H 1.3081 -0.4932 0.2170 0.030 Uiso 1 1 calc R . . . .
 H01D H 1.3189 -0.5910 0.2942 0.030 Uiso 1 1 calc R . . . .
 C02E C 0.9548(3) -0.7066(3) 0.3826(3) 0.0268(8) Uani 1 1 d . . . . .
 C02I C 1.1191(3) -0.2513(3) 0.3563(3) 0.0278(8) Uani 1 1 d . . . . .
 C02J C 1.0428(2) -0.4787(3) 0.1780(2) 0.0266(8) Uani 1 1 d . . . . .
 H02J H 1.0332 -0.4766 0.1154 0.032 Uiso 1 1 calc R . . . .
 C02L C 0.7950(2) -0.6116(3) 0.3541(3) 0.0250(7) Uani 1 1 d . . . . .
 H02L H 0.7542 -0.6398 0.3343 0.030 Uiso 1 1 calc R . . . .
 C02M C 0.8568(2) -0.5758(3) 0.2760(3) 0.0256(7) Uani 1 1 d . . . . .
 H02M H 0.8416 -0.5822 0.2184 0.031 Uiso 1 1 calc R . . . .
 C02R C 0.8389(3) -0.7499(3) 0.4970(3) 0.0304(8) Uani 1 1 d . . . . .
 H02A H 0.7819 -0.7603 0.4847 0.036 Uiso 1 1 calc R . . . .
 H02B H 0.8915 -0.8138 0.5101 0.036 Uiso 1 1 calc R . . . .
 C02T C 1.0333(3) -0.6479(3) 0.2417(3) 0.0311(8) Uani 1 1 d . . . . .
 H02C H 1.0815 -0.7139 0.2617 0.037 Uiso 1 1 calc R . . . .
 H02D H 1.0126 -0.6410 0.1820 0.037 Uiso 1 1 calc R . . . .
 C022 C 1.1631(2) -0.6022(3) 0.2709(2) 0.0237(7) Uani 1 1 d . . . . .
 C023 C 1.1229(2) -0.4409(3) 0.1828(2) 0.0262(8) Uani 1 1 d . . . . .
 H023 H 1.1536 -0.4242 0.1230 0.031 Uiso 1 1 calc R . . . .
 C024 C 0.8639(2) -0.4060(3) 0.2039(2) 0.0262(8) Uani 1 1 d . . . . .
 H02E H 0.8594 -0.4168 0.1456 0.031 Uiso 1 1 calc R . . . .
 H02F H 0.8202 -0.3392 0.2034 0.031 Uiso 1 1 calc R . . . .
 C025 C 1.2548(2) -0.3683(2) 0.3142(2) 0.0227(7) Uani 1 1 d . . . . .
 H025 H 1.3033 -0.3556 0.2676 0.027 Uiso 1 1 calc R . . . .
 C028 C 1.1134(3) -0.2831(3) 0.2112(3) 0.0296(8) Uani 1 1 d . . . . .
 H02G H 1.1590 -0.2816 0.1600 0.036 Uiso 1 1 calc R . . . .
 H02H H 1.0615 -0.2188 0.1998 0.036 Uiso 1 1 calc R . . . .
 N3 N 0.7382(2) -0.5243(2) 0.3811(2) 0.0214(6) Uani 1 1 d . . . . .
 N4 N 0.8332(2) -0.4747(2) 0.2740(2) 0.0226(6) Uani 1 1 d . . . . .
 N5 N 0.8641(2) -0.6853(2) 0.4182(2) 0.0283(7) Uani 1 1 d . . . . .
 N6 N 0.9526(2) -0.6392(2) 0.3031(2) 0.0267(7) Uani 1 1 d . . . . .
 N7 N 0.9601(2) -0.4132(2) 0.2136(2) 0.0250(6) Uani 1 1 d . . . . .
 N8 N 1.0742(2) -0.3562(2) 0.2151(2) 0.0261(6) Uani 1 1 d . . . . .
 N9 N 1.0770(2) -0.5775(2) 0.2337(2) 0.0279(7) Uani 1 1 d . . . . .
 N10 N 1.1888(2) -0.5226(2) 0.2446(2) 0.0266(7) Uani 1 1 d . . . . .
 N11 N 1.1611(2) -0.2979(2) 0.2908(2) 0.0264(7) Uani 1 1 d . . . . .
 N12 N 1.1802(2) -0.2879(2) 0.4253(2) 0.0290(7) Uani 1 1 d . . . . .
 N13 N 1.2626(2) -0.4700(2) 0.3377(2) 0.0213(6) Uani 1 1 d . . . . .
 N14 N 1.3009(2) -0.4520(2) 0.4615(2) 0.0215(6) Uani 1 1 d . . . . .
 O7 O 1.33085(16) -0.60675(16) 0.45206(16) 0.0202(5) Uani 1 1 d . . . . .
 O8 O 1.20867(18) -0.68221(19) 0.31733(18) 0.0290(6) Uani 1 1 d . . . . .
 O9 O 1.02523(19) -0.77414(19) 0.4160(2) 0.0348(6) Uani 1 1 d . . . . .
 O10 O 0.71678(17) -0.36097(17) 0.33480(16) 0.0221(5) Uani 1 1 d . . . . .
 O11 O 0.92083(18) -0.26795(19) 0.25056(18) 0.0282(6) Uani 1 1 d . . . . .
 O12 O 1.04081(19) -0.18645(19) 0.3526(2) 0.0365(7) Uani 1 1 d . . . . .
 C01E C 0.6572(3) 0.0890(3) 0.4675(2) 0.0255(7) Uani 1 1 d . . . . .
 C01I C 0.5439(3) 0.4357(3) 0.2959(3) 0.0284(8) Uani 1 1 d . . . . .
 C01J C 0.5611(2) 0.5278(2) 0.2450(2) 0.0232(7) Uani 1 1 d . . . . .
 C01N C 0.7099(2) -0.0150(2) 0.4631(2) 0.0219(7) Uani 1 1 d . . . . .
 C01O C 0.5149(2) 0.6099(3) 0.2753(2) 0.0253(7) Uani 1 1 d . . . . .
 H01O H 0.4712 0.6083 0.3244 0.030 Uiso 1 1 calc R . . . .
 C01P C 0.5323(3) 0.6939(3) 0.2343(2) 0.0256(7) Uani 1 1 d . . . . .
 H01P H 0.5016 0.7501 0.2557 0.031 Uiso 1 1 calc R . . . .
 C01T C 0.6756(2) -0.0849(3) 0.5140(2) 0.0239(7) Uani 1 1 d . . . . .
 H01T H 0.6227 -0.0679 0.5533 0.029 Uiso 1 1 calc R . . . .
 C01U C 0.7172(2) -0.1791(3) 0.5084(2) 0.0220(7) Uani 1 1 d . . . . .
 H01U H 0.6940 -0.2277 0.5446 0.026 Uiso 1 1 calc R . . . .
 C01Y C 0.8298(3) -0.3030(2) 0.4419(2) 0.0231(7) Uani 1 1 d . . . . .
 H01M H 0.8361 -0.3004 0.3776 0.028 Uiso 1 1 calc R . . . .
 H01N H 0.7843 -0.3358 0.4693 0.028 Uiso 1 1 calc R . . . .
 C02B C 0.9251(3) -0.3626(2) 0.4844(3) 0.0241(7) Uani 1 1 d . . . . .
 H02T H 0.9215 -0.3612 0.5476 0.029 Uiso 1 1 calc R . . . .
 H02U H 0.9734 -0.3352 0.4528 0.029 Uiso 1 1 calc R . . . .
 C02C C 0.9528(3) -0.4673(3) 0.4788(3) 0.0286(8) Uani 1 1 d . . . . .
 H02V H 0.9031 -0.4932 0.5093 0.034 Uiso 1 1 calc R . . . .
 H02W H 0.9562 -0.4677 0.4154 0.034 Uiso 1 1 calc R . . . .
 C02F C 0.7871(3) -0.0412(3) 0.4056(3) 0.0284(8) Uani 1 1 d . . . . .
 H02X H 0.8126 0.0060 0.3705 0.034 Uiso 1 1 calc R . . . .
 C02O C 0.6238(3) 0.5324(3) 0.1723(2) 0.0259(7) Uani 1 1 d . . . . .
 H02Y H 0.6569 0.4766 0.1508 0.031 Uiso 1 1 calc R . . . .
 C02P C 0.5282(3) 0.8645(3) 0.0652(3) 0.0301(8) Uani 1 1 d . . . . .
 H02Z H 0.4685 0.8727 0.1011 0.036 Uiso 1 1 calc R . . . .
 H H 0.5229 0.8407 0.0145 0.036 Uiso 1 1 calc R . . . .
 C02S C 0.5404(3) 0.9625(3) 0.0294(3) 0.0316(9) Uani 1 1 d . . . . .
 H02 H 0.5445 0.9868 0.0802 0.038 Uiso 1 1 calc R . . . .
 HA H 0.6008 0.9540 -0.0055 0.038 Uiso 1 1 calc R . . . .
 C020 C 0.6104(3) 0.7895(3) 0.1224(3) 0.0314(9) Uani 1 1 d . . . . .
 H0AA H 0.6692 0.7761 0.0850 0.038 Uiso 1 1 calc R . . . .
 HB H 0.6199 0.8157 0.1698 0.038 Uiso 1 1 calc R . . . .
 C026 C 0.8266(2) -0.1360(3) 0.4001(3) 0.0265(8) Uani 1 1 d . . . . .
 H026 H 0.8785 -0.1543 0.3601 0.032 Uiso 1 1 calc R . . . .
 C029 C 0.6371(3) 0.6191(3) 0.1318(2) 0.0261(7) Uani 1 1 d . . . . .
 H029 H 0.6782 0.6239 0.0809 0.031 Uiso 1 1 calc R . . . .
 N1 N 0.79110(19) -0.2026(2) 0.45159(19) 0.0178(5) Uani 1 1 d . . . . .
 N2 N 0.5924(2) 0.6967(2) 0.1642(2) 0.0231(6) Uani 1 1 d . . . . .
 Np1 Np 0.51045(2) 0.27985(2) 0.44304(2) 0.01660(5) Uani 1 1 d . . . . .
 O1 O 0.46084(18) 0.23310(19) 0.37461(17) 0.0256(5) Uani 1 1 d . . . . .
 O1W O 0.41809(17) 0.22794(17) 0.58053(16) 0.0212(5) Uani 1 1 d . . . . .
 H1WA H 0.4573 0.1836 0.6219 0.032 Uiso 1 1 d GR . . . .
 H1WB H 0.3841 0.1974 0.5692 0.032 Uiso 1 1 d GR . . . .
 O2 O 0.5603(2) 0.3258(2) 0.51150(19) 0.0326(6) Uani 1 1 d . . . . .
 O3 O 0.67433(19) 0.15705(18) 0.40952(19) 0.0314(6) Uani 1 1 d . . . . .
 O4 O 0.5931(2) 0.10320(19) 0.52627(19) 0.0368(7) Uani 1 1 d . . . . .
 O5 O 0.6066(2) 0.3555(2) 0.2995(2) 0.0346(6) Uani 1 1 d . . . . .
 O6 O 0.4663(2) 0.4471(2) 0.3377(2) 0.0437(8) Uani 1 1 d . . . . .
 C01G C 0.8142(2) 0.8700(3) 0.0103(2) 0.0236(7) Uani 1 1 d . . . . .
 C01H C 0.6100(3) 1.1439(2) 0.1983(2) 0.0215(7) Uani 1 1 d . . . . .
 H01H H 0.6162 1.1754 0.2436 0.026 Uiso 1 1 calc R . . . .
 C01L C 0.7002(3) 0.7582(3) -0.1227(2) 0.0235(7) Uani 1 1 d . . . . .
 C01M C 0.5351(2) 1.0330(2) 0.3097(2) 0.0201(6) Uani 1 1 d . . . . .
 H01E H 0.5278 1.0748 0.3497 0.024 Uiso 1 1 calc R . . . .
 H01F H 0.5609 0.9645 0.3453 0.024 Uiso 1 1 calc R . . . .
 C01R C 0.4129(2) 0.9805(2) 0.2724(2) 0.0197(6) Uani 1 1 d . . . . .
 C01S C 0.5584(3) 0.7351(2) -0.1591(2) 0.0253(7) Uani 1 1 d . . . . .
 H01G H 0.5559 0.7170 -0.2141 0.030 Uiso 1 1 calc R . . . .
 H01I H 0.5835 0.6742 -0.1112 0.030 Uiso 1 1 calc R . . . .
 C01V C 0.2604(3) 0.9612(3) 0.2665(2) 0.0238(7) Uani 1 1 d . . . . .
 H01J H 0.2956 0.8957 0.3043 0.029 Uiso 1 1 calc R . . . .
 H01L H 0.2016 0.9900 0.2996 0.029 Uiso 1 1 calc R . . . .
 C01W C 0.7020(3) 1.1185(3) 0.1381(2) 0.0222(7) Uani 1 1 d . . . . .
 H01W H 0.7520 1.1367 0.1561 0.027 Uiso 1 1 calc R . . . .
 C01Z C 0.8332(2) 1.0201(3) -0.0488(2) 0.0232(7) Uani 1 1 d . . . . .
 H01Z H 0.8944 1.0286 -0.0448 0.028 Uiso 1 1 calc R . . . .
 C02A C 0.8375(2) 0.9738(3) -0.1255(2) 0.0228(7) Uani 1 1 d . . . . .
 H02I H 0.9014 0.9579 -0.1558 0.027 Uiso 1 1 calc R . . . .
 C02D C 0.6751(2) 0.9746(2) 0.2152(2) 0.0206(7) Uani 1 1 d . . . . .
 C02G C 0.7317(3) 1.1879(3) -0.0267(2) 0.0263(7) Uani 1 1 d . . . . .
 H02K H 0.7011 1.2520 -0.0689 0.032 Uiso 1 1 calc R . . . .
 H02N H 0.7905 1.1881 -0.0064 0.032 Uiso 1 1 calc R . . . .
 C02H C 0.7213(2) 1.1310(3) -0.1558(2) 0.0226(7) Uani 1 1 d . . . . .
 C02K C 0.2794(2) 1.1238(2) 0.2497(2) 0.0204(7) Uani 1 1 d . . . . .
 H02O H 0.2314 1.1365 0.2990 0.024 Uiso 1 1 calc R . . . .
 C02N C 0.8370(3) 0.8079(3) -0.1220(2) 0.0243(7) Uani 1 1 d . . . . .
 H02P H 0.8886 0.8095 -0.1672 0.029 Uiso 1 1 calc R . . . .
 H02Q H 0.8603 0.7455 -0.0755 0.029 Uiso 1 1 calc R . . . .
 C02Q C 0.8199(3) 0.9544(3) 0.1197(2) 0.0256(7) Uani 1 1 d . . . . .
 H02R H 0.8700 0.9798 0.1228 0.031 Uiso 1 1 calc R . . . .
 H02S H 0.8381 0.8875 0.1593 0.031 Uiso 1 1 calc R . . . .
 C021 C 0.6327(2) 0.8532(2) -0.2606(2) 0.0196(6) Uani 1 1 d . . . . .
 H021 H 0.6419 0.8221 -0.3105 0.024 Uiso 1 1 calc R . . . .
 C027 C 0.5744(3) 1.2348(3) 0.0499(2) 0.0233(7) Uani 1 1 d . . . . .
 N15 N 0.3182(2) 1.0212(2) 0.25180(19) 0.0215(6) Uani 1 1 d . . . . .
 N16 N 0.4421(2) 1.0520(2) 0.27866(19) 0.0202(6) Uani 1 1 d . . . . .
 N17 N 0.6023(2) 1.0501(2) 0.23970(19) 0.0221(6) Uani 1 1 d . . . . .
 N18 N 0.7313(2) 1.0144(2) 0.1529(2) 0.0250(6) Uani 1 1 d . . . . .
 N19 N 0.8162(2) 0.9507(2) 0.02947(19) 0.0254(6) Uani 1 1 d . . . . .
 N20 N 0.8167(2) 0.8870(2) -0.08126(19) 0.0229(6) Uani 1 1 d . . . . .
 N21 N 0.7568(2) 0.8106(2) -0.16406(19) 0.0232(6) Uani 1 1 d . . . . .
 N22 N 0.6229(2) 0.7878(2) -0.17426(19) 0.0227(6) Uani 1 1 d . . . . .
 N23 N 0.5368(2) 1.2100(2) 0.13407(19) 0.0239(6) Uani 1 1 d . . . . .
 N24 N 0.6685(2) 1.1758(2) 0.0497(2) 0.0248(6) Uani 1 1 d . . . . .
 N25 N 0.7566(2) 1.1132(2) -0.0735(2) 0.0247(6) Uani 1 1 d . . . . .
 N26 N 0.7651(2) 1.0489(2) -0.1850(2) 0.0255(6) Uani 1 1 d . . . . .
 O13 O 0.7180(2) 0.6944(2) -0.05282(17) 0.0330(6) Uani 1 1 d . . . . .
 O14 O 0.8116(2) 0.79604(19) 0.06386(17) 0.0306(6) Uani 1 1 d . . . . .
 O15 O 0.68774(19) 0.88891(18) 0.24544(17) 0.0278(5) Uani 1 1 d . . . . .
 O16 O 0.46189(18) 0.89432(17) 0.28336(16) 0.0238(5) Uani 1 1 d . . . . .
 O17 O 0.66384(19) 1.20718(19) -0.19623(18) 0.0286(6) Uani 1 1 d . . . . .
 O18 O 0.53210(19) 1.29810(19) -0.01384(17) 0.0295(6) Uani 1 1 d . . . . .
 Cl1 Cl 0.8974(2) 0.2903(3) 0.06729(15) 0.1562(16) Uani 1 1 d . . . . .
 O19 O 0.8030(6) 0.3228(7) 0.0605(7) 0.174(3) Uani 1 1 d . U . . .
 O20 O 0.9301(5) 0.2496(6) 0.1521(4) 0.123(2) Uani 1 1 d . U . . .
 O21 O 0.9436(5) 0.2012(10) 0.0232(6) 0.194(4) Uani 1 1 d . U . . .
 O22 O 0.9446(9) 0.3510(11) 0.0271(8) 0.257(5) Uani 1 1 d . U . . .
 O2W O 0.8286(5) 0.1706(6) 0.2992(5) 0.126(2) Uani 1 1 d . . . . .
 H2WA H 0.8885 0.1626 0.2901 0.189 Uiso 1 1 d G . . . .
 H2WB H 0.7994 0.2261 0.2620 0.189 Uiso 1 1 d G . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 C01A N13 1.361(4) . ?
 C01A N14 1.352(4) . ?
 C01A O7 1.237(4) . ?
 C01C N7 1.376(5) . ?
 C01C N8 1.382(4) . ?
 C01C O11 1.209(5) . ?
 C01F H01A 0.9900 . ?
 C01F H01B 0.9900 . ?
 C01F N3 1.444(4) . ?
 C01F N14 1.444(5) 2_746 ?
 C01K H01K 1.0000 . ?
 C01K C025 1.545(5) . ?
 C01K N12 1.458(4) . ?
 C01K N14 1.441(4) . ?
 C01Q N3 1.368(4) . ?
 C01Q N4 1.377(4) . ?
 C01Q O10 1.216(4) . ?
 C01X H01C 0.9900 . ?
 C01X H01D 0.9900 . ?
 C01X N10 1.440(5) . ?
 C01X N13 1.459(5) . ?
 C02E N5 1.375(5) . ?
 C02E N6 1.364(5) . ?
 C02E O9 1.221(5) . ?
 C02I N11 1.375(5) . ?
 C02I N12 1.364(5) . ?
 C02I O12 1.227(4) . ?
 C02J H02J 1.0000 . ?
 C02J C023 1.554(5) . ?
 C02J N7 1.450(4) . ?
 C02J N9 1.446(5) . ?
 C02L H02L 1.0000 . ?
 C02L C02M 1.545(5) . ?
 C02L N3 1.447(4) . ?
 C02L N5 1.452(5) . ?
 C02M H02M 1.0000 . ?
 C02M N4 1.450(5) . ?
 C02M N6 1.451(4) . ?
 C02R H02A 0.9900 . ?
 C02R H02B 0.9900 . ?
 C02R N5 1.452(5) . ?
 C02R N12 1.448(5) 2_746 ?
 C02T H02C 0.9900 . ?
 C02T H02D 0.9900 . ?
 C02T N6 1.447(5) . ?
 C02T N9 1.440(5) . ?
 C022 N9 1.376(5) . ?
 C022 N10 1.360(5) . ?
 C022 O8 1.221(4) . ?
 C023 H023 1.0000 . ?
 C023 N8 1.436(5) . ?
 C023 N10 1.454(4) . ?
 C024 H02E 0.9900 . ?
 C024 H02F 0.9900 . ?
 C024 N4 1.451(5) . ?
 C024 N7 1.450(4) . ?
 C025 H025 1.0000 . ?
 C025 N11 1.443(4) . ?
 C025 N13 1.462(4) . ?
 C028 H02G 0.9900 . ?
 C028 H02H 0.9900 . ?
 C028 N8 1.442(5) . ?
 C028 N11 1.442(5) . ?
 N12 C02R 1.448(5) 2_746 ?
 N14 C01F 1.444(5) 2_746 ?
 O7 Np1 2.643(2) 1_645 ?
 C01E C01N 1.515(5) . ?
 C01E Np1 2.895(3) . ?
 C01E O3 1.257(4) . ?
 C01E O4 1.253(4) . ?
 C01I C01J 1.509(5) . ?
 C01I Np1 2.952(4) . ?
 C01I O5 1.234(5) . ?
 C01I O6 1.251(5) . ?
 C01J C01O 1.383(5) . ?
 C01J C02O 1.391(5) . ?
 C01N C01T 1.371(5) . ?
 C01N C02F 1.390(5) . ?
 C01O H01O 0.9500 . ?
 C01O C01P 1.372(5) . ?
 C01P H01P 0.9500 . ?
 C01P N2 1.336(5) . ?
 C01T H01T 0.9500 . ?
 C01T C01U 1.371(5) . ?
 C01U H01U 0.9500 . ?
 C01U N1 1.345(4) . ?
 C01Y H01M 0.9900 . ?
 C01Y H01N 0.9900 . ?
 C01Y C02B 1.510(5) . ?
 C01Y N1 1.478(4) . ?
 C02B H02T 0.9900 . ?
 C02B H02U 0.9900 . ?
 C02B C02C 1.530(5) . ?
 C02C C02C 1.511(7) 2_746 ?
 C02C H02V 0.9900 . ?
 C02C H02W 0.9900 . ?
 C02F H02X 0.9500 . ?
 C02F C026 1.377(5) . ?
 C02O H02Y 0.9500 . ?
 C02O C029 1.379(5) . ?
 C02P H02Z 0.9900 . ?
 C02P H 0.9900 . ?
 C02P C02S 1.522(5) . ?
 C02P C020 1.517(5) . ?
 C02S C02S 1.515(7) 2_675 ?
 C02S H02 0.9900 . ?
 C02S HA 0.9900 . ?
 C020 H0AA 0.9900 . ?
 C020 HB 0.9900 . ?
 C020 N2 1.499(4) . ?
 C026 H026 0.9500 . ?
 C026 N1 1.347(4) . ?
 C029 H029 0.9500 . ?
 C029 N2 1.340(5) . ?
 Np1 O7 2.643(2) 1_465 ?
 Np1 O1 1.818(2) . ?
 Np1 O1W 2.512(2) . ?
 Np1 O2 1.812(3) . ?
 Np1 O3 2.599(3) . ?
 Np1 O4 2.540(3) . ?
 Np1 O5 2.730(3) . ?
 Np1 O6 2.511(3) . ?
 O1W H1WA 0.8816 . ?
 O1W H1WB 0.8807 . ?
 C01G N19 1.371(5) . ?
 C01G N20 1.380(4) . ?
 C01G O14 1.212(4) . ?
 C01H H01H 1.0000 . ?
 C01H C01W 1.570(5) . ?
 C01H N17 1.443(4) . ?
 C01H N23 1.458(4) . ?
 C01L N21 1.373(5) . ?
 C01L N22 1.368(5) . ?
 C01L O13 1.219(4) . ?
 C01M H01E 0.9900 . ?
 C01M H01F 0.9900 . ?
 C01M N16 1.451(4) . ?
 C01M N17 1.435(4) . ?
 C01R N15 1.377(4) . ?
 C01R N16 1.364(4) . ?
 C01R O16 1.224(4) . ?
 C01S H01G 0.9900 . ?
 C01S H01I 0.9900 . ?
 C01S N22 1.451(5) . ?
 C01S N23 1.445(5) 2_675 ?
 C01V H01J 0.9900 . ?
 C01V H01L 0.9900 . ?
 C01V N15 1.454(4) . ?
 C01V N26 1.447(5) 2_675 ?
 C01W H01W 1.0000 . ?
 C01W N18 1.445(4) . ?
 C01W N24 1.445(4) . ?
 C01Z H01Z 1.0000 . ?
 C01Z C02A 1.550(5) . ?
 C01Z N19 1.439(4) . ?
 C01Z N25 1.447(5) . ?
 C02A H02I 1.0000 . ?
 C02A N20 1.444(5) . ?
 C02A N26 1.448(4) . ?
 C02D N17 1.380(4) . ?
 C02D N18 1.375(5) . ?
 C02D O15 1.211(4) . ?
 C02G H02K 0.9900 . ?
 C02G H02N 0.9900 . ?
 C02G N24 1.449(4) . ?
 C02G N25 1.446(5) . ?
 C02H N25 1.374(5) . ?
 C02H N26 1.369(5) . ?
 C02H O17 1.216(4) . ?
 C02K H02O 1.0000 . ?
 C02K C021 1.547(5) 2_675 ?
 C02K N15 1.455(4) . ?
 C02K N21 1.451(4) 2_675 ?
 C02N H02P 0.9900 . ?
 C02N H02Q 0.9900 . ?
 C02N N20 1.450(4) . ?
 C02N N21 1.441(5) . ?
 C02Q H02R 0.9900 . ?
 C02Q H02S 0.9900 . ?
 C02Q N18 1.450(5) . ?
 C02Q N19 1.441(4) . ?
 C021 C02K 1.547(5) 2_675 ?
 C021 H021 1.0000 . ?
 C021 N16 1.447(4) 2_675 ?
 C021 N22 1.460(4) . ?
 C027 N23 1.374(4) . ?
 C027 N24 1.376(5) . ?
 C027 O18 1.219(4) . ?
 N16 C021 1.447(4) 2_675 ?
 N21 C02K 1.451(4) 2_675 ?
 N23 C01S 1.445(5) 2_675 ?
 N26 C01V 1.448(5) 2_675 ?
 Cl1 O19 1.338(8) . ?
 Cl1 O20 1.363(6) . ?
 Cl1 O21 1.597(11) . ?
 Cl1 O22 1.352(10) . ?
 O2W H2WA 0.8702 . ?
 O2W H2WB 0.8701 . ?

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
 N14 C01A N13 109.4(3) . . ?
 O7 C01A N13 125.8(3) . . ?
 O7 C01A N14 124.8(3) . . ?
 N7 C01C N8 107.7(3) . . ?
 O11 C01C N7 126.8(3) . . ?
 O11 C01C N8 125.6(4) . . ?
 H01A C01F H01B 107.7 . . ?
 N3 C01F H01A 108.9 . . ?
 N3 C01F H01B 108.9 . . ?
 N3 C01F N14 113.4(3) . 2_746 ?
 N14 C01F H01A 108.9 2_746 . ?
 N14 C01F H01B 108.9 2_746 . ?
 C025 C01K H01K 111.5 . . ?
 N12 C01K H01K 111.5 . . ?
 N12 C01K C025 103.0(3) . . ?
 N14 C01K H01K 111.5 . . ?
 N14 C01K C025 103.2(3) . . ?
 N14 C01K N12 115.5(3) . . ?
 N3 C01Q N4 108.2(3) . . ?
 O10 C01Q N3 126.5(3) . . ?
 O10 C01Q N4 125.3(3) . . ?
 H01C C01X H01D 107.8 . . ?
 N10 C01X H01C 109.0 . . ?
 N10 C01X H01D 109.0 . . ?
 N10 C01X N13 112.9(3) . . ?
 N13 C01X H01C 109.0 . . ?
 N13 C01X H01D 109.0 . . ?
 N6 C02E N5 108.1(3) . . ?
 O9 C02E N5 126.2(4) . . ?
 O9 C02E N6 125.8(4) . . ?
 N12 C02I N11 108.3(3) . . ?
 O12 C02I N11 125.8(4) . . ?
 O12 C02I N12 125.9(4) . . ?
 C023 C02J H02J 111.6 . . ?
 N7 C02J H02J 111.6 . . ?
 N7 C02J C023 103.5(3) . . ?
 N9 C02J H02J 111.6 . . ?
 N9 C02J C023 103.1(3) . . ?
 N9 C02J N7 114.8(3) . . ?
 C02M C02L H02L 111.3 . . ?
 N3 C02L H02L 111.3 . . ?
 N3 C02L C02M 103.3(3) . . ?
 N3 C02L N5 115.6(3) . . ?
 N5 C02L H02L 111.3 . . ?
 N5 C02L C02M 103.6(3) . . ?
 C02L C02M H02M 111.5 . . ?
 N4 C02M C02L 103.7(3) . . ?
 N4 C02M H02M 111.5 . . ?
 N4 C02M N6 115.1(3) . . ?
 N6 C02M C02L 103.1(3) . . ?
 N6 C02M H02M 111.5 . . ?
 H02A C02R H02B 107.8 . . ?
 N5 C02R H02A 109.1 . . ?
 N5 C02R H02B 109.1 . . ?
 N12 C02R H02A 109.1 2_746 . ?
 N12 C02R H02B 109.1 2_746 . ?
 N12 C02R N5 112.7(3) 2_746 . ?
 H02C C02T H02D 107.6 . . ?
 N6 C02T H02C 108.7 . . ?
 N6 C02T H02D 108.7 . . ?
 N9 C02T H02C 108.7 . . ?
 N9 C02T H02D 108.7 . . ?
 N9 C02T N6 114.3(3) . . ?
 N10 C022 N9 107.7(3) . . ?
 O8 C022 N9 125.7(4) . . ?
 O8 C022 N10 126.6(3) . . ?
 C02J C023 H023 111.5 . . ?
 N8 C023 C02J 103.4(3) . . ?
 N8 C023 H023 111.5 . . ?
 N8 C023 N10 115.3(3) . . ?
 N10 C023 C02J 102.9(3) . . ?
 N10 C023 H023 111.5 . . ?
 H02E C024 H02F 107.7 . . ?
 N4 C024 H02E 108.8 . . ?
 N4 C024 H02F 108.8 . . ?
 N7 C024 H02E 108.8 . . ?
 N7 C024 H02F 108.8 . . ?
 N7 C024 N4 113.7(3) . . ?
 C01K C025 H025 111.5 . . ?
 N11 C025 C01K 103.5(3) . . ?
 N11 C025 H025 111.5 . . ?
 N11 C025 N13 115.2(3) . . ?
 N13 C025 C01K 103.1(3) . . ?
 N13 C025 H025 111.5 . . ?
 H02G C028 H02H 107.6 . . ?
 N8 C028 H02G 108.7 . . ?
 N8 C028 H02H 108.7 . . ?
 N11 C028 H02G 108.7 . . ?
 N11 C028 H02H 108.7 . . ?
 N11 C028 N8 114.4(3) . . ?
 C01F N3 C02L 124.2(3) . . ?
 C01Q N3 C01F 123.2(3) . . ?
 C01Q N3 C02L 112.5(3) . . ?
 C01Q N4 C02M 111.7(3) . . ?
 C01Q N4 C024 121.9(3) . . ?
 C02M N4 C024 124.2(3) . . ?
 C02E N5 C02L 111.6(3) . . ?
 C02E N5 C02R 122.4(3) . . ?
 C02L N5 C02R 123.1(3) . . ?
 C02E N6 C02M 112.6(3) . . ?
 C02E N6 C02T 122.6(3) . . ?
 C02T N6 C02M 122.6(3) . . ?
 C01C N7 C02J 112.1(3) . . ?
 C01C N7 C024 121.1(3) . . ?
 C02J N7 C024 123.3(3) . . ?
 C01C N8 C023 112.9(3) . . ?
 C01C N8 C028 121.1(3) . . ?
 C023 N8 C028 124.0(3) . . ?
 C02T N9 C02J 124.5(3) . . ?
 C022 N9 C02J 113.0(3) . . ?
 C022 N9 C02T 122.1(3) . . ?
 C01X N10 C023 124.0(3) . . ?
 C022 N10 C01X 122.7(3) . . ?
 C022 N10 C023 113.1(3) . . ?
 C02I N11 C025 112.3(3) . . ?
 C02I N11 C028 123.4(3) . . ?
 C028 N11 C025 124.2(3) . . ?
 C02I N12 C01K 112.0(3) . . ?
 C02I N12 C02R 122.8(3) . 2_746 ?
 C02R N12 C01K 124.2(3) 2_746 . ?
 C01A N13 C01X 120.2(3) . . ?
 C01A N13 C025 110.5(3) . . ?
 C01X N13 C025 122.2(3) . . ?
 C01A N14 C01F 122.4(3) . 2_746 ?
 C01A N14 C01K 112.2(3) . . ?
 C01K N14 C01F 125.1(3) . 2_746 ?
 C01A O7 Np1 124.4(2) . 1_645 ?
 C01N C01E Np1 160.4(3) . . ?
 O3 C01E C01N 119.6(3) . . ?
 O3 C01E Np1 63.84(18) . . ?
 O4 C01E C01N 117.3(3) . . ?
 O4 C01E Np1 61.17(18) . . ?
 O4 C01E O3 122.9(3) . . ?
 C01J C01I Np1 161.9(3) . . ?
 O5 C01I C01J 120.4(3) . . ?
 O5 C01I Np1 67.6(2) . . ?
 O5 C01I O6 123.6(3) . . ?
 O6 C01I C01J 115.8(3) . . ?
 O6 C01I Np1 57.45(19) . . ?
 C01O C01J C01I 117.7(3) . . ?
 C01O C01J C02O 119.0(3) . . ?
 C02O C01J C01I 123.2(3) . . ?
 C01T C01N C01E 118.0(3) . . ?
 C01T C01N C02F 119.1(3) . . ?
 C02F C01N C01E 122.8(3) . . ?
 C01J C01O H01O 120.1 . . ?
 C01P C01O C01J 119.8(3) . . ?
 C01P C01O H01O 120.1 . . ?
 C01O C01P H01P 120.0 . . ?
 N2 C01P C01O 120.0(3) . . ?
 N2 C01P H01P 120.0 . . ?
 C01N C01T H01T 119.9 . . ?
 C01U C01T C01N 120.3(3) . . ?
 C01U C01T H01T 119.9 . . ?
 C01T C01U H01U 120.2 . . ?
 N1 C01U C01T 119.7(3) . . ?
 N1 C01U H01U 120.2 . . ?
 H01M C01Y H01N 107.7 . . ?
 C02B C01Y H01M 108.9 . . ?
 C02B C01Y H01N 108.9 . . ?
 N1 C01Y H01M 108.9 . . ?
 N1 C01Y H01N 108.9 . . ?
 N1 C01Y C02B 113.4(3) . . ?
 C01Y C02B H02T 110.0 . . ?
 C01Y C02B H02U 110.0 . . ?
 C01Y C02B C02C 108.6(3) . . ?
 H02T C02B H02U 108.4 . . ?
 C02C C02B H02T 110.0 . . ?
 C02C C02B H02U 110.0 . . ?
 C02B C02C H02V 109.2 . . ?
 C02B C02C H02W 109.2 . . ?
 C02C C02C C02B 112.1(4) 2_746 . ?
 C02C C02C H02V 109.2 2_746 . ?
 C02C C02C H02W 109.2 2_746 . ?
 H02V C02C H02W 107.9 . . ?
 C01N C02F H02X 120.3 . . ?
 C026 C02F C01N 119.5(3) . . ?
 C026 C02F H02X 120.3 . . ?
 C01J C02O H02Y 120.5 . . ?
 C029 C02O C01J 119.0(4) . . ?
 C029 C02O H02Y 120.5 . . ?
 H02Z C02P H 107.9 . . ?
 C02S C02P H02Z 109.2 . . ?
 C02S C02P H 109.2 . . ?
 C020 C02P H02Z 109.2 . . ?
 C020 C02P H 109.2 . . ?
 C020 C02P C02S 112.1(3) . . ?
 C02P C02S H02 109.1 . . ?
 C02P C02S HA 109.1 . . ?
 C02S C02S C02P 112.5(4) 2_675 . ?
 C02S C02S H02 109.1 2_675 . ?
 C02S C02S HA 109.1 2_675 . ?
 H02 C02S HA 107.8 . . ?
 C02P C020 H0AA 109.4 . . ?
 C02P C020 HB 109.4 . . ?
 H0AA C020 HB 108.0 . . ?
 N2 C020 C02P 111.1(3) . . ?
 N2 C020 H0AA 109.4 . . ?
 N2 C020 HB 109.4 . . ?
 C02F C026 H026 120.2 . . ?
 N1 C026 C02F 119.6(3) . . ?
 N1 C026 H026 120.2 . . ?
 C02O C029 H029 119.9 . . ?
 N2 C029 C02O 120.2(3) . . ?
 N2 C029 H029 119.9 . . ?
 C01U N1 C01Y 118.5(3) . . ?
 C01U N1 C026 121.8(3) . . ?
 C026 N1 C01Y 119.6(3) . . ?
 C01P N2 C020 118.2(3) . . ?
 C01P N2 C029 121.9(3) . . ?
 C029 N2 C020 119.9(3) . . ?
 O7 Np1 C01E 151.16(9) 1_465 . ?
 O7 Np1 C01I 89.37(9) 1_465 . ?
 O7 Np1 O5 112.79(8) 1_465 . ?
 C01E Np1 C01I 115.91(11) . . ?
 O1 Np1 O7 81.72(10) . 1_465 ?
 O1 Np1 C01E 81.96(11) . . ?
 O1 Np1 C01I 96.09(12) . . ?
 O1 Np1 O1W 93.56(10) . . ?
 O1 Np1 O3 86.28(10) . . ?
 O1 Np1 O4 86.11(11) . . ?
 O1 Np1 O5 91.55(10) . . ?
 O1 Np1 O6 94.12(12) . . ?
 O1W Np1 O7 63.87(7) . 1_465 ?
 O1W Np1 C01E 93.66(9) . . ?
 O1W Np1 C01I 149.87(9) . . ?
 O1W Np1 O3 118.84(8) . . ?
 O1W Np1 O4 68.14(8) . . ?
 O1W Np1 O5 173.36(8) . . ?
 O2 Np1 O7 98.54(11) . 1_465 ?
 O2 Np1 C01E 97.73(12) . . ?
 O2 Np1 C01I 84.11(12) . . ?
 O2 Np1 O1 179.68(13) . . ?
 O2 Np1 O1W 86.39(11) . . ?
 O2 Np1 O3 93.47(12) . . ?
 O2 Np1 O4 93.58(12) . . ?
 O2 Np1 O5 88.53(11) . . ?
 O2 Np1 O6 86.16(13) . . ?
 O3 Np1 O7 167.89(9) . 1_465 ?
 O3 Np1 C01E 25.73(9) . . ?
 O3 Np1 C01I 90.28(9) . . ?
 O3 Np1 O5 65.73(8) . . ?
 O4 Np1 O7 129.37(8) . 1_465 ?
 O4 Np1 C01E 25.60(9) . . ?
 O4 Np1 C01I 140.89(10) . . ?
 O4 Np1 O3 50.79(8) . . ?
 O4 Np1 O5 116.51(8) . . ?
 O5 Np1 C01E 91.26(9) . . ?
 O5 Np1 C01I 24.69(10) . . ?
 O6 Np1 O7 64.65(8) . 1_465 ?
 O6 Np1 C01E 140.29(10) . . ?
 O6 Np1 C01I 24.83(10) . . ?
 O6 Np1 O1W 126.05(9) . . ?
 O6 Np1 O3 114.91(9) . . ?
 O6 Np1 O4 165.69(9) . . ?
 O6 Np1 O5 49.19(9) . . ?
 Np1 O1W H1WA 109.8 . . ?
 Np1 O1W H1WB 110.0 . . ?
 H1WA O1W H1WB 104.0 . . ?
 C01E O3 Np1 90.4(2) . . ?
 C01E O4 Np1 93.2(2) . . ?
 C01I O5 Np1 87.8(2) . . ?
 C01I O6 Np1 97.7(2) . . ?
 N19 C01G N20 108.0(3) . . ?
 O14 C01G N19 126.5(3) . . ?
 O14 C01G N20 125.5(3) . . ?
 C01W C01H H01H 111.7 . . ?
 N17 C01H H01H 111.7 . . ?
 N17 C01H C01W 102.8(3) . . ?
 N17 C01H N23 115.1(3) . . ?
 N23 C01H H01H 111.7 . . ?
 N23 C01H C01W 103.1(3) . . ?
 N22 C01L N21 108.6(3) . . ?
 O13 C01L N21 125.1(4) . . ?
 O13 C01L N22 126.2(4) . . ?
 H01E C01M H01F 107.6 . . ?
 N16 C01M H01E 108.7 . . ?
 N16 C01M H01F 108.7 . . ?
 N17 C01M H01E 108.7 . . ?
 N17 C01M H01F 108.7 . . ?
 N17 C01M N16 114.3(3) . . ?
 N16 C01R N15 108.6(3) . . ?
 O16 C01R N15 125.2(3) . . ?
 O16 C01R N16 126.3(3) . . ?
 H01G C01S H01I 107.7 . . ?
 N22 C01S H01G 108.9 . . ?
 N22 C01S H01I 108.9 . . ?
 N23 C01S H01G 108.9 2_675 . ?
 N23 C01S H01I 108.9 2_675 . ?
 N23 C01S N22 113.4(3) 2_675 . ?
 H01J C01V H01L 107.7 . . ?
 N15 C01V H01J 108.8 . . ?
 N15 C01V H01L 108.8 . . ?
 N26 C01V H01J 108.8 2_675 . ?
 N26 C01V H01L 108.8 2_675 . ?
 N26 C01V N15 113.7(3) 2_675 . ?
 C01H C01W H01W 111.5 . . ?
 N18 C01W C01H 103.3(3) . . ?
 N18 C01W H01W 111.5 . . ?
 N24 C01W C01H 103.1(3) . . ?
 N24 C01W H01W 111.5 . . ?
 N24 C01W N18 115.4(3) . . ?
 C02A C01Z H01Z 111.1 . . ?
 N19 C01Z H01Z 111.1 . . ?
 N19 C01Z C02A 103.4(3) . . ?
 N19 C01Z N25 116.0(3) . . ?
 N25 C01Z H01Z 111.1 . . ?
 N25 C01Z C02A 103.6(3) . . ?
 C01Z C02A H02I 111.5 . . ?
 N20 C02A C01Z 103.7(3) . . ?
 N20 C02A H02I 111.5 . . ?
 N20 C02A N26 115.2(3) . . ?
 N26 C02A C01Z 102.9(3) . . ?
 N26 C02A H02I 111.5 . . ?
 N18 C02D N17 107.5(3) . . ?
 O15 C02D N17 125.7(3) . . ?
 O15 C02D N18 126.8(3) . . ?
 H02K C02G H02N 107.7 . . ?
 N24 C02G H02K 108.8 . . ?
 N24 C02G H02N 108.8 . . ?
 N25 C02G H02K 108.8 . . ?
 N25 C02G H02N 108.8 . . ?
 N25 C02G N24 113.9(3) . . ?
 N26 C02H N25 107.6(3) . . ?
 O17 C02H N25 125.9(3) . . ?
 O17 C02H N26 126.4(3) . . ?
 C021 C02K H02O 111.5 2_675 . ?
 N15 C02K H02O 111.5 . . ?
 N15 C02K C021 103.7(3) . 2_675 ?
 N21 C02K H02O 111.5 2_675 . ?
 N21 C02K C021 103.0(3) 2_675 2_675 ?
 N21 C02K N15 114.9(3) 2_675 . ?
 H02P C02N H02Q 107.6 . . ?
 N20 C02N H02P 108.7 . . ?
 N20 C02N H02Q 108.7 . . ?
 N21 C02N H02P 108.7 . . ?
 N21 C02N H02Q 108.7 . . ?
 N21 C02N N20 114.2(3) . . ?
 H02R C02Q H02S 107.7 . . ?
 N18 C02Q H02R 108.8 . . ?
 N18 C02Q H02S 108.8 . . ?
 N19 C02Q H02R 108.8 . . ?
 N19 C02Q H02S 108.8 . . ?
 N19 C02Q N18 114.0(3) . . ?
 C02K C021 H021 111.8 2_675 . ?
 N16 C021 C02K 103.0(3) 2_675 2_675 ?
 N16 C021 H021 111.8 2_675 . ?
 N16 C021 N22 114.2(3) 2_675 . ?
 N22 C021 C02K 103.6(3) . 2_675 ?
 N22 C021 H021 111.8 . . ?
 N23 C027 N24 108.2(3) . . ?
 O18 C027 N23 126.1(3) . . ?
 O18 C027 N24 125.7(3) . . ?
 C01R N15 C01V 121.0(3) . . ?
 C01R N15 C02K 111.4(3) . . ?
 C01V N15 C02K 123.3(3) . . ?
 C01R N16 C01M 123.3(3) . . ?
 C01R N16 C021 112.7(3) . 2_675 ?
 C021 N16 C01M 123.7(3) 2_675 . ?
 C01M N17 C01H 124.2(3) . . ?
 C02D N17 C01H 113.3(3) . . ?
 C02D N17 C01M 121.8(3) . . ?
 C01W N18 C02Q 124.3(3) . . ?
 C02D N18 C01W 113.0(3) . . ?
 C02D N18 C02Q 121.8(3) . . ?
 C01G N19 C01Z 112.5(3) . . ?
 C01G N19 C02Q 122.0(3) . . ?
 C01Z N19 C02Q 124.4(3) . . ?
 C01G N20 C02A 111.6(3) . . ?
 C01G N20 C02N 120.7(3) . . ?
 C02A N20 C02N 122.7(3) . . ?
 C01L N21 C02K 112.4(3) . 2_675 ?
 C01L N21 C02N 123.1(3) . . ?
 C02N N21 C02K 124.2(3) . 2_675 ?
 C01L N22 C01S 122.7(3) . . ?
 C01L N22 C021 111.4(3) . . ?
 C01S N22 C021 122.4(3) . . ?
 C01S N23 C01H 123.7(3) 2_675 . ?
 C027 N23 C01H 112.0(3) . . ?
 C027 N23 C01S 122.1(3) . 2_675 ?
 C01W N24 C02G 122.9(3) . . ?
 C027 N24 C01W 112.7(3) . . ?
 C027 N24 C02G 122.7(3) . . ?
 C02G N25 C01Z 124.3(3) . . ?
 C02H N25 C01Z 112.5(3) . . ?
 C02H N25 C02G 122.2(3) . . ?
 C01V N26 C02A 124.1(3) 2_675 . ?
 C02H N26 C01V 122.8(3) . 2_675 ?
 C02H N26 C02A 113.2(3) . . ?
 O19 Cl1 O20 115.3(6) . . ?
 O19 Cl1 O21 108.7(5) . . ?
 O19 Cl1 O22 119.1(8) . . ?
 O20 Cl1 O21 102.2(6) . . ?
 O22 Cl1 O20 105.7(6) . . ?
 O22 Cl1 O21 104.0(8) . . ?
 H2WA O2W H2WB 104.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
