#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/52/7005217.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_7005217
loop_
_publ_author_name
'Beves, Jonathon E.'
'Constable, Edwin C.'
'Housecroft, Catherine E.'
'Neuburger, Markus'
'Schaffner, Silvia'
'Shardlow, Ellen J.'
_publ_section_title
;
 [n + n]-Heterometallomacrocyclic complexes (n > or = 2) prepared
 from platinum(II)-centred ditopic 2,2':6',2''-terpyridine ligands:
 dimensional cataloguing by pulsed-field gradient spin-echo NMR
 spectroscopy.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1593
_journal_page_last               1602
_journal_paper_doi               10.1039/b618197j
_journal_year                    2007
_chemical_formula_moiety         'C60 H78 N6 O2 P2 Pt1'
_chemical_formula_sum            'C60 H78 N6 O2 P2 Pt'
_chemical_formula_weight         1172.36
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             06-06-19
_audit_creation_method           CRYSTALS_ver_12.84
_cell_angle_alpha                100.6520(6)
_cell_angle_beta                 99.7287(6)
_cell_angle_gamma                91.2631(6)
_cell_formula_units_Z            1
_cell_length_a                   9.3983(1)
_cell_length_b                   10.9971(1)
_cell_length_c                   13.7916(1)
_cell_measurement_reflns_used    6550
_cell_measurement_temperature    123
_cell_measurement_theta_max      28
_cell_measurement_theta_min      3
_cell_volume                     1378.62(2)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997-2001).'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      123
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13016
_diffrn_reflns_theta_full        27.881
_diffrn_reflns_theta_max         27.881
_diffrn_reflns_theta_min         2.978
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.651
_exptl_absorpt_correction_T_max  0.90
_exptl_absorpt_correction_T_min  0.65
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_description       plate
_exptl_crystal_F_000             604
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.11
_refine_diff_density_min         -1.20
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0943
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         6490
_refine_ls_number_restraints     20
_refine_ls_R_factor_all          0.0206
_refine_ls_R_factor_gt           0.0203
_refine_ls_shift/su_max          0.007921
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982)
[weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)]
where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax
Method = Robust Weighting (Prince, 1982)
W = [weight] * [1-(deltaF/6*sigmaF)²]²
Ai are:
0.396 0.476 0.284 0.129 0.269E-01
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0229
_refine_ls_wR_factor_gt          0.0228
_refine_ls_wR_factor_ref         0.0228
_reflns_limit_h_max              12
_reflns_limit_h_min              -12
_reflns_limit_k_max              14
_reflns_limit_k_min              -14
_reflns_limit_l_max              18
_reflns_limit_l_min              0
_reflns_number_gt                6490
_reflns_number_total             6490
_reflns_threshold_expression     I>3.0σ(I)
_oxford_diffrn_Wilson_B_factor   0.00
_oxford_diffrn_Wilson_scale      0.00
_oxford_refine_ls_scale          0.20753(14)
_oxford_structure_analysis_title '11041210 ejs'
_cod_data_source_file            b618197j.txt
_cod_data_source_block           ejs
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C60 H78 N6 O2 P2 Pt1'
_cod_database_code               7005217
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Pt1 Pt 0.5000 0.5000 0.5000 0.0157 1.0000 Uani S U . . . .
P1 P 0.60186(5) 0.68993(4) 0.49498(3) 0.0164 1.0000 Uani . U . . . .
O1 O 0.57273(16) 0.54413(13) 0.89530(10) 0.0256 1.0000 Uani . U . . . .
N1 N 0.11745(19) 0.66142(16) 1.02281(13) 0.0262 1.0000 Uani . . . . . .
N2 N 0.32702(17) 0.85392(14) 0.90932(11) 0.0211 1.0000 Uani . . . . . .
N3 N 0.62920(19) 0.98175(16) 0.82372(13) 0.0265 1.0000 Uani . . . . . .
C1 C 0.6706(2) 1.08850(19) 0.80034(16) 0.0286 1.0000 Uani . . . . . .
C2 C 0.5881(2) 1.19105(18) 0.80294(15) 0.0267 1.0000 Uani . . . . . .
C3 C 0.4556(2) 1.18412(19) 0.83290(16) 0.0296 1.0000 Uani . . . . . .
C4 C 0.4103(2) 1.07497(19) 0.85806(15) 0.0262 1.0000 Uani . . . . . .
C5 C 0.4994(2) 0.97524(17) 0.85125(13) 0.0207 1.0000 Uani . . . . . .
C6 C 0.4537(2) 0.85602(17) 0.87677(13) 0.0204 1.0000 Uani . . . . . .
C7 C 0.5408(2) 0.75496(17) 0.86671(13) 0.0219 1.0000 Uani . . . . . .
C8 C 0.4970(2) 0.64791(17) 0.89682(13) 0.0215 1.0000 Uani . . . . . .
C9 C 0.3679(2) 0.64560(17) 0.93367(13) 0.0220 1.0000 Uani . . . . . .
C10 C 0.2861(2) 0.74944(17) 0.93712(13) 0.0215 1.0000 Uani . . . . . .
C11 C 0.1446(2) 0.75041(17) 0.97256(13) 0.0215 1.0000 Uani . . . . . .
C12 C 0.0458(2) 0.83843(19) 0.95195(15) 0.0268 1.0000 Uani . . . . . .
C13 C -0.0847(2) 0.83677(19) 0.98608(17) 0.0305 1.0000 Uani . . . . . .
C14 C -0.1116(2) 0.7468(2) 1.04010(16) 0.0292 1.0000 Uani . . . . . .
C15 C -0.0088(2) 0.66167(19) 1.05581(15) 0.0278 1.0000 Uani . . . . . .
C16 C 0.6909(2) 0.53318(17) 0.83892(13) 0.0212 1.0000 Uani . U . . . .
C17 C 0.63606(17) 0.51659(14) 0.72513(14) 0.0165 1.0000 Uani . U . . . .
C18 C 0.59105(19) 0.51004(15) 0.64528(14) 0.0197 1.0000 Uani . U . . . .
C19 C 0.7406(2) 0.75703(16) 0.60254(13) 0.0207 1.0000 Uani . . . . . .
C20 C 0.8200(2) 0.87719(18) 0.59675(14) 0.0241 1.0000 Uani . . . . . .
C21 C 0.9442(2) 0.91618(19) 0.68513(15) 0.0270 1.0000 Uani . . . . . .
C22 C 1.0267(3) 1.0348(2) 0.6789(2) 0.0410 1.0000 Uani . . . . . .
C23 C 0.4730(2) 0.81119(17) 0.47942(14) 0.0215 1.0000 Uani . . . . . .
C24 C 0.4049(2) 0.86288(18) 0.57098(15) 0.0260 1.0000 Uani . . . . . .
C25 C 0.3065(2) 0.77165(18) 0.60309(15) 0.0253 1.0000 Uani . . . . . .
C26 C 0.1770(2) 0.7202(2) 0.52271(17) 0.0316 1.0000 Uani . . . . . .
C27 C 0.68808(19) 0.68237(16) 0.38509(13) 0.0201 1.0000 Uani . . . . . .
C28 C 0.7976(2) 0.58225(19) 0.37659(14) 0.0240 1.0000 Uani . . . . . .
C29 C 0.8637(2) 0.57139(19) 0.28216(15) 0.0281 1.0000 Uani . . . . . .
C30 C 0.9642(3) 0.4647(2) 0.27126(18) 0.0352 1.0000 Uani . . . . . .
H11 H 0.7633 1.0937 0.7801 0.0359 1.0000 Uiso R . . . . .
H21 H 0.6236 1.2647 0.7843 0.0337 1.0000 Uiso R . . . . .
H31 H 0.3935 1.2544 0.8359 0.0392 1.0000 Uiso R . . . . .
H41 H 0.3180 1.0657 0.8801 0.0349 1.0000 Uiso R . . . . .
H71 H 0.6295 0.7606 0.8399 0.0274 1.0000 Uiso R . . . . .
H91 H 0.3370 0.5748 0.9568 0.0279 1.0000 Uiso R . . . . .
H121 H 0.0695 0.9007 0.9144 0.0345 1.0000 Uiso R . . . . .
H131 H -0.1563 0.8976 0.9730 0.0382 1.0000 Uiso R . . . . .
H141 H -0.2028 0.7430 1.0657 0.0370 1.0000 Uiso R . . . . .
H151 H -0.0282 0.5976 1.0919 0.0359 1.0000 Uiso R . . . . .
H161 H 0.7566 0.6070 0.8620 0.0288 1.0000 Uiso R . . . . .
H162 H 0.7414 0.4608 0.8562 0.0285 1.0000 Uiso R . . . . .
H191 H 0.6949 0.7713 0.6617 0.0273 1.0000 Uiso R . . . . .
H192 H 0.8117 0.6945 0.6100 0.0275 1.0000 Uiso R . . . . .
H201 H 0.7510 0.9441 0.5958 0.0309 1.0000 Uiso R . . . . .
H202 H 0.8609 0.8658 0.5350 0.0318 1.0000 Uiso R . . . . .
H211 H 0.9031 0.9289 0.7470 0.0328 1.0000 Uiso R . . . . .
H212 H 1.0120 0.8494 0.6867 0.0329 1.0000 Uiso R . . . . .
H221 H 1.1057 1.0575 0.7367 0.0503 1.0000 Uiso R . . . . .
H222 H 0.9611 1.1032 0.6777 0.0494 1.0000 Uiso R . . . . .
H223 H 1.0696 1.0248 0.6185 0.0501 1.0000 Uiso R . . . . .
H231 H 0.5254 0.8788 0.4612 0.0290 1.0000 Uiso R . . . . .
H232 H 0.3951 0.7757 0.4228 0.0291 1.0000 Uiso R . . . . .
H241 H 0.4827 0.8961 0.6277 0.0327 1.0000 Uiso R . . . . .
H242 H 0.3461 0.9321 0.5544 0.0324 1.0000 Uiso R . . . . .
H251 H 0.2706 0.8166 0.6619 0.0334 1.0000 Uiso R . . . . .
H252 H 0.3621 0.7038 0.6220 0.0326 1.0000 Uiso R . . . . .
H261 H 0.1091 0.6703 0.5485 0.0404 1.0000 Uiso R . . . . .
H262 H 0.1261 0.7885 0.4993 0.0398 1.0000 Uiso R . . . . .
H263 H 0.2065 0.6681 0.4647 0.0403 1.0000 Uiso R . . . . .
H271 H 0.7350 0.7623 0.3862 0.0268 1.0000 Uiso R . . . . .
H272 H 0.6114 0.6643 0.3269 0.0267 1.0000 Uiso R . . . . .
H281 H 0.8737 0.5998 0.4365 0.0336 1.0000 Uiso R . . . . .
H282 H 0.7474 0.5041 0.3757 0.0330 1.0000 Uiso R . . . . .
H291 H 0.9182 0.6491 0.2844 0.0377 1.0000 Uiso R . . . . .
H292 H 0.7838 0.5584 0.2239 0.0383 1.0000 Uiso R . . . . .
H301 H 1.0044 0.4564 0.2088 0.0461 1.0000 Uiso R . . . . .
H302 H 1.0446 0.4792 0.3275 0.0462 1.0000 Uiso R . . . . .
H303 H 0.9108 0.3883 0.2711 0.0459 1.0000 Uiso R . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Pt -1.7033 8.3905 27.0059 1.5129 17.7639 8.8117 15.7131 0.4246 5.7837 38.6103
11.6883 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C18 2_666 Pt1 . P1 2_666 92.67(5) yes
C18 2_666 Pt1 . P1 . 87.33(5) yes
P1 2_666 Pt1 . P1 . 179.995 yes
C18 2_666 Pt1 . C18 . 179.994 yes
P1 2_666 Pt1 . C18 . 87.33(5) yes
P1 . Pt1 . C18 . 92.67(5) yes
Pt1 . P1 . C19 . 115.74(6) yes
Pt1 . P1 . C23 . 115.08(6) yes
C19 . P1 . C23 . 105.84(8) yes
Pt1 . P1 . C27 . 111.12(6) yes
C19 . P1 . C27 . 105.69(8) yes
C23 . P1 . C27 . 102.10(8) yes
C8 . O1 . C16 . 117.35(14) yes
C11 . N1 . C15 . 117.48(17) yes
C6 . N2 . C10 . 117.34(16) yes
C1 . N3 . C5 . 117.37(17) yes
N3 . C1 . C2 . 124.05(19) yes
N3 . C1 . H11 . 117.9 no
C2 . C1 . H11 . 118.1 no
C1 . C2 . C3 . 118.15(18) yes
C1 . C2 . H21 . 119.9 no
C3 . C2 . H21 . 122.0 no
C2 . C3 . C4 . 119.04(18) yes
C2 . C3 . H31 . 121.0 no
C4 . C3 . H31 . 120.0 no
C3 . C4 . C5 . 118.89(18) yes
C3 . C4 . H41 . 122.1 no
C5 . C4 . H41 . 119.0 no
C4 . C5 . N3 . 122.48(17) yes
C4 . C5 . C6 . 120.39(17) yes
N3 . C5 . C6 . 117.12(16) yes
C5 . C6 . N2 . 116.02(16) yes
C5 . C6 . C7 . 120.32(17) yes
N2 . C6 . C7 . 123.65(17) yes
C6 . C7 . C8 . 118.03(17) yes
C6 . C7 . H71 . 120.1 no
C8 . C7 . H71 . 121.9 no
C7 . C8 . O1 . 124.89(17) yes
C7 . C8 . C9 . 118.94(17) yes
O1 . C8 . C9 . 116.15(16) yes
C8 . C9 . C10 . 118.60(17) yes
C8 . C9 . H91 . 120.7 no
C10 . C9 . H91 . 120.7 no
C9 . C10 . N2 . 123.36(17) yes
C9 . C10 . C11 . 120.83(17) yes
N2 . C10 . C11 . 115.81(16) yes
C10 . C11 . N1 . 116.79(16) yes
C10 . C11 . C12 . 120.77(17) yes
N1 . C11 . C12 . 122.43(18) yes
C11 . C12 . C13 . 119.28(19) yes
C11 . C12 . H121 . 119.7 no
C13 . C12 . H121 . 121.0 no
C12 . C13 . C14 . 118.42(19) yes
C12 . C13 . H131 . 121.2 no
C14 . C13 . H131 . 120.4 no
C13 . C14 . C15 . 118.61(19) yes
C13 . C14 . H141 . 120.7 no
C15 . C14 . H141 . 120.7 no
C14 . C15 . N1 . 123.74(19) yes
C14 . C15 . H151 . 118.9 no
N1 . C15 . H151 . 117.4 no
O1 . C16 . C17 . 111.92(14) yes
O1 . C16 . H161 . 109.1 no
C17 . C16 . H161 . 110.0 no
O1 . C16 . H162 . 104.9 no
C17 . C16 . H162 . 111.6 no
H161 . C16 . H162 . 109.1 no
C16 . C17 . C18 . 175.70(18) yes
Pt1 . C18 . C17 . 177.55(16) yes
P1 . C19 . C20 . 116.83(13) yes
P1 . C19 . H191 . 107.7 no
C20 . C19 . H191 . 108.6 no
P1 . C19 . H192 . 106.6 no
C20 . C19 . H192 . 108.2 no
H191 . C19 . H192 . 108.6 no
C19 . C20 . C21 . 111.91(16) yes
C19 . C20 . H201 . 109.4 no
C21 . C20 . H201 . 109.2 no
C19 . C20 . H202 . 109.5 no
C21 . C20 . H202 . 107.8 no
H201 . C20 . H202 . 108.9 no
C20 . C21 . C22 . 112.40(18) yes
C20 . C21 . H211 . 107.9 no
C22 . C21 . H211 . 109.6 no
C20 . C21 . H212 . 109.3 no
C22 . C21 . H212 . 108.7 no
H211 . C21 . H212 . 108.9 no
C21 . C22 . H221 . 110.5 no
C21 . C22 . H222 . 110.2 no
H221 . C22 . H222 . 109.1 no
C21 . C22 . H223 . 111.5 no
H221 . C22 . H223 . 107.5 no
H222 . C22 . H223 . 108.0 no
P1 . C23 . C24 . 116.15(13) yes
P1 . C23 . H231 . 106.6 no
C24 . C23 . H231 . 108.9 no
P1 . C23 . H232 . 107.1 no
C24 . C23 . H232 . 108.9 no
H231 . C23 . H232 . 109.0 no
C23 . C24 . C25 . 115.66(16) yes
C23 . C24 . H241 . 108.8 no
C25 . C24 . H241 . 109.0 no
C23 . C24 . H242 . 107.5 no
C25 . C24 . H242 . 107.3 no
H241 . C24 . H242 . 108.4 no
C24 . C25 . C26 . 113.48(17) yes
C24 . C25 . H251 . 107.1 no
C26 . C25 . H251 . 108.3 no
C24 . C25 . H252 . 109.3 no
C26 . C25 . H252 . 109.5 no
H251 . C25 . H252 . 109.1 no
C25 . C26 . H261 . 111.5 no
C25 . C26 . H262 . 109.4 no
H261 . C26 . H262 . 108.6 no
C25 . C26 . H263 . 111.6 no
H261 . C26 . H263 . 108.0 no
H262 . C26 . H263 . 107.5 no
P1 . C27 . C28 . 113.13(12) yes
P1 . C27 . H271 . 109.9 no
C28 . C27 . H271 . 109.6 no
P1 . C27 . H272 . 106.7 no
C28 . C27 . H272 . 109.1 no
H271 . C27 . H272 . 108.3 no
C27 . C28 . C29 . 113.14(16) yes
C27 . C28 . H281 . 108.8 no
C29 . C28 . H281 . 110.4 no
C27 . C28 . H282 . 107.4 no
C29 . C28 . H282 . 108.8 no
H281 . C28 . H282 . 108.3 no
C28 . C29 . C30 . 112.28(17) yes
C28 . C29 . H291 . 108.9 no
C30 . C29 . H291 . 109.1 no
C28 . C29 . H292 . 108.0 no
C30 . C29 . H292 . 109.6 no
H291 . C29 . H292 . 108.9 no
C29 . C30 . H301 . 112.0 no
C29 . C30 . H302 . 109.5 no
H301 . C30 . H302 . 108.1 no
C29 . C30 . H303 . 109.0 no
H301 . C30 . H303 . 109.0 no
H302 . C30 . H303 . 109.3 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 . C18 2_666 2.0233(19) yes
Pt1 . P1 2_666 2.2960(4) yes
Pt1 . P1 . 2.2960(4) yes
Pt1 . C18 . 2.0233(19) yes
P1 . C19 . 1.8290(18) yes
P1 . C23 . 1.8382(19) yes
P1 . C27 . 1.8254(18) yes
O1 . C8 . 1.357(2) yes
O1 . C16 . 1.455(2) yes
N1 . C11 . 1.343(2) yes
N1 . C15 . 1.340(3) yes
N2 . C6 . 1.343(2) yes
N2 . C10 . 1.345(2) yes
N3 . C1 . 1.340(3) yes
N3 . C5 . 1.342(3) yes
C1 . C2 . 1.381(3) yes
C1 . H11 . 0.962 no
C2 . C3 . 1.382(3) yes
C2 . H21 . 0.963 no
C3 . C4 . 1.387(3) yes
C3 . H31 . 0.977 no
C4 . C5 . 1.393(3) yes
C4 . H41 . 0.976 no
C5 . C6 . 1.491(3) yes
C6 . C7 . 1.395(3) yes
C7 . C8 . 1.394(3) yes
C7 . H71 . 0.973 no
C8 . C9 . 1.394(3) yes
C9 . C10 . 1.388(3) yes
C9 . H91 . 0.952 no
C10 . C11 . 1.492(3) yes
C11 . C12 . 1.390(3) yes
C12 . C13 . 1.387(3) yes
C12 . H121 . 0.974 no
C13 . C14 . 1.386(3) yes
C13 . H131 . 0.978 no
C14 . C15 . 1.379(3) yes
C14 . H141 . 0.984 no
C15 . H151 . 0.966 no
C16 . C17 . 1.542(2) yes
C16 . H161 . 0.979 no
C16 . H162 . 0.981 no
C17 . C18 . 1.099(3) yes
C19 . C20 . 1.525(2) yes
C19 . H191 . 0.974 no
C19 . H192 . 0.976 no
C20 . C21 . 1.528(3) yes
C20 . H201 . 0.992 no
C20 . H202 . 0.980 no
C21 . C22 . 1.527(3) yes
C21 . H211 . 0.984 no
C21 . H212 . 0.984 no
C22 . H221 . 0.983 no
C22 . H222 . 0.984 no
C22 . H223 . 0.975 no
C23 . C24 . 1.533(3) yes
C23 . H231 . 0.976 no
C23 . H232 . 0.990 no
C24 . C25 . 1.523(3) yes
C24 . H241 . 0.985 no
C24 . H242 . 0.989 no
C25 . C26 . 1.521(3) yes
C25 . H251 . 0.983 no
C25 . H252 . 0.970 no
C26 . H261 . 0.984 no
C26 . H262 . 0.975 no
C26 . H263 . 0.979 no
C27 . C28 . 1.526(3) yes
C27 . H271 . 0.971 no
C27 . H272 . 0.970 no
C28 . C29 . 1.521(3) yes
C28 . H281 . 0.983 no
C28 . H282 . 0.969 no
C29 . C30 . 1.524(3) yes
C29 . H291 . 0.979 no
C29 . H292 . 0.989 no
C30 . H301 . 0.987 no
C30 . H302 . 0.974 no
C30 . H303 . 0.969 no
