# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2012


#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
# 
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material 
#  of the CCDC or of third parties, and may not be copied or further 
#  disseminated in any form, whether machine-readable or not,  
#  except for the purpose of generating routine backup copies 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk 
#
#  Bona fide researchers may freely download Mercury and enCIFer
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data_1
_database_code_depnum_ccdc_archive 'CCDC 891019'
_exptl_special_details           
;
The crystal was
placed in the cold stream of an Oxford
Cryosystems open-flow nitrogen cryostat (Cosier &
Glazer, 1986) with a nominal stability of 0.1K.
Cosier, J. & Glazer, A.M., 1986. J. Appl. Cryst. 105 107.
;
_refine_special_details          
;
?
;
#---------------------------------------------------------------
# _oxford_ data items, April 2010:
# There is some uncertainty about the correct way of forming local data
# names, e.g.
# _atom_site_special_shape_oxford
# or
# _oxford_atom_site_special_shape
# see:
# http://www.iucr.org/resources/cif/spec/version1.1/semantics#namespace
# A reserved prefix, e.g. foo, must be used in the following way
# " If the data file contains items defined in a DDL1 dictionary, the
# local data names assigned under the reserved prefix must contain it as
# their first component, e.g. _foo_atom_site_my_item. "
# However, this seems to say the opposite:
# http://www.iucr.org/__data/iucr/cif/standard/cifstd8.html
# According to advice from the IUCr, CRYSTALS is correct
#---------------------------------------------------------------
# End of 'script/refcif.dat'
#end of refcif
_cell_length_a                   9.4650(10)
_cell_length_b                   8.6144(9)
_cell_length_c                   30.436(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.187(9)
_cell_angle_gamma                90
_cell_volume                     2471.4(4)
_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1 '
_symmetry_space_group_name_Hall  '-P 2yn'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,z+1/2
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'
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'
Si 0.0817 0.0704 6.2915 2.4386 3.0353 32.3337 1.9891 0.6785 1.5410 81.6937
1.1407 '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'
_cell_formula_units_Z            4
# Given Formula = C24 H24 O8 Pt2 Si2
# Dc = 2.38 Fooo = 1168.00 Mu = 114.54 M = 886.80
# Found Formula = C21 H42 O4 Pt1 Si1
# Dc = 1.56 FOOO = 1168.00 Mu = 57.47 M = 581.74
_chemical_formula_sum            'C21 H42 O4 Pt1 Si1'
_chemical_formula_moiety         'C21 H42 O4 Pt1 Si1'
_chemical_compound_source        ?
_chemical_formula_weight         581.74
_cell_measurement_reflns_used    3752
_cell_measurement_theta_min      3.5736
_cell_measurement_theta_max      29.4660
_cell_measurement_temperature    150
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_min          0.130
_exptl_crystal_size_mid          0.213
_exptl_crystal_size_max          0.381
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
# Non-dispersive F(000):
_exptl_crystal_F_000             1168
_exptl_absorpt_coefficient_mu    5.747
# Sheldrick geometric approximatio 0.29 0.47
_exptl_absorpt_correction_T_min  0.191
_exptl_absorpt_correction_T_max  0.556
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_diffrn_radiation_wavelength     0.7107
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_detector_area_resol_mean 10.4685
_diffrn_measurement_method       \w
# If a reference occurs more than once, delete the author
# and date from subsequent references.
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_number         0
_diffrn_standards_decay_%        ?
_diffrn_ambient_temperature      150
_diffrn_reflns_number            22806
_reflns_number_total             6069
_diffrn_reflns_av_R_equivalents  0.089
# Number of reflections without Friedels Law is 0
# Number of reflections with Friedels Law is 6069
# Theoretical number of reflections is about 13813
_diffrn_reflns_theta_min         3.581
_diffrn_reflns_theta_max         29.530
_diffrn_measured_fraction_theta_max 0.880
_diffrn_reflns_theta_full        26.282
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_reflns_limit_h_min              -13
_reflns_limit_h_max              13
_reflns_limit_k_min              0
_reflns_limit_k_max              11
_reflns_limit_l_min              0
_reflns_limit_l_max              40
_oxford_diffrn_Wilson_B_factor   1.70
_oxford_diffrn_Wilson_scale      0.56
_atom_sites_solution_primary     direct #heavy,direct,difmap,geom
# _atom_sites_solution_secondary difmap
_atom_sites_solution_hydrogens   geom
_refine_diff_density_min         -3.57
_refine_diff_density_max         2.09
# The current dictionary definitions do not cover the
# situation where the reflections used for refinement were
# selected by a user-defined sigma threshold
# The values actually used during refinement
_oxford_reflns_threshold_expression_ref I>-10.0\s(I)
_refine_ls_number_reflns         6069
_refine_ls_number_restraints     6
_refine_ls_number_parameters     244
_oxford_refine_ls_R_factor_ref   0.0656
_refine_ls_wR_factor_ref         0.1490
_refine_ls_goodness_of_fit_ref   0.9917
_refine_ls_shift/su_max          0.0010905
_refine_ls_shift/su_mean         0.0000166
# The values computed from all data
_oxford_reflns_number_all        6069
_refine_ls_R_factor_all          0.0656
_refine_ls_wR_factor_all         0.1490
# The values computed with a 2 sigma cutoff - a la SHELX
_reflns_threshold_expression     I>2.0\s(I)
_reflns_number_gt                4884
_refine_ls_R_factor_gt           0.0473
_refine_ls_wR_factor_gt          0.1188
# choose from: rm (reference molecule of known chirality),
# ad (anomolous dispersion - Flack), rmad (rm and ad),
# syn (from synthesis), unk (unknown) or . (not applicable).
_chemical_absolute_configuration .
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_hydrogen_treatment    none # none, undef, noref, refall,
# refxyz, refU, constr or mixed
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982)
[weight] = 1.0/[A~0~*T~0~(x)+A~1~*T~1~(x) ... +A~n-1~]*T~n-1~(x)]
where A~i~ are the Chebychev coefficients listed below and x= Fcalc/Fmax
Method = Robust Weighting (Prince, 1982)
W = [weight] * [1-(deltaF/6*sigmaF)^2^]^2^
A~i~ are:
0.289E+04 0.451E+04 0.301E+04 0.152E+04 469.
;
# Insert your own references if required - in alphabetical order
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 0.17760(3) 0.61256(3) 0.567397(9) 0.0210 1.0000 Uani . . . . . .
O2 O 0.0391(6) 0.6386(7) 0.61217(19) 0.0245 1.0000 Uani . . . . . .
Si3 Si -0.0357(2) 0.7735(3) 0.63713(7) 0.0206 1.0000 Uani . . . . . .
O4 O 0.0644(6) 0.9195(7) 0.65438(19) 0.0268 1.0000 Uani . . . . . .
C5 C 0.1787(10) 0.9273(11) 0.6890(3) 0.0301 1.0000 Uani . . . . . .
C6 C 0.1169(13) 0.9398(16) 0.7330(3) 0.0470 1.0000 Uani . . . . . .
H61 H 0.1920 0.9408 0.7566 0.0720 1.0000 Uiso R . . . . .
H63 H 0.0635 1.0345 0.7340 0.0720 1.0000 Uiso R . . . . .
H62 H 0.0550 0.8534 0.7371 0.0719 1.0000 Uiso R . . . . .
C7 C 0.2619(11) 1.0725(14) 0.6795(4) 0.0447 1.0000 Uani . . . . . .
H72 H 0.3372 1.0883 0.7024 0.0691 1.0000 Uiso R . . . . .
H71 H 0.1999 1.1608 0.6779 0.0689 1.0000 Uiso R . . . . .
H73 H 0.3015 1.0607 0.6516 0.0689 1.0000 Uiso R . . . . .
C8 C 0.2720(12) 0.7845(14) 0.6873(4) 0.0473 1.0000 Uani . . . . . .
H83 H 0.3553 0.7971 0.7076 0.0731 1.0000 Uiso R . . . . .
H81 H 0.2208 0.6935 0.6951 0.0730 1.0000 Uiso R . . . . .
H82 H 0.3004 0.7726 0.6579 0.0729 1.0000 Uiso R . . . . .
O9 O -0.0957(7) 0.7033(7) 0.68156(18) 0.0253 1.0000 Uani . . . . . .
C10 C -0.1632(9) 0.5591(11) 0.6898(3) 0.0273 1.0000 Uani . . . . . .
C11 C -0.2645(12) 0.5142(13) 0.6501(4) 0.0477 1.0000 Uani . . . . . .
H111 H -0.3112 0.4186 0.6563 0.0729 1.0000 Uiso R . . . . .
H112 H -0.3342 0.5942 0.6445 0.0729 1.0000 Uiso R . . . . .
H113 H -0.2127 0.5011 0.6246 0.0731 1.0000 Uiso R . . . . .
C12 C -0.0506(12) 0.4344(14) 0.6977(4) 0.0461 1.0000 Uani . . . . . .
H122 H -0.0947 0.3369 0.7035 0.0719 1.0000 Uiso R . . . . .
H123 H 0.0139 0.4637 0.7225 0.0720 1.0000 Uiso R . . . . .
H121 H 0.0002 0.4245 0.6718 0.0719 1.0000 Uiso R . . . . .
C13 C -0.2375(18) 0.5846(15) 0.7313(5) 0.0679 1.0000 Uani . . . . . .
H131 H -0.2831 0.4898 0.7388 0.1049 1.0000 Uiso R . . . . .
H133 H -0.1694 0.6143 0.7552 0.1050 1.0000 Uiso R . . . . .
H132 H -0.3076 0.6653 0.7264 0.1051 1.0000 Uiso R . . . . .
O14 O -0.1620(6) 0.8440(7) 0.60287(19) 0.0255 1.0000 Uani . . . . . .
C15 C -0.2496(10) 0.9798(10) 0.6048(3) 0.0287 1.0000 Uani . . . . . .
C16 C -0.3806(12) 0.9477(15) 0.5730(5) 0.0550 1.0000 Uani . . . . . .
H162 H -0.4403 1.0382 0.5706 0.0840 1.0000 Uiso R . . . . .
H161 H -0.4330 0.8621 0.5838 0.0840 1.0000 Uiso R . . . . .
H163 H -0.3528 0.9222 0.5443 0.0839 1.0000 Uiso R . . . . .
C17 C -0.1672(12) 1.1178(11) 0.5897(4) 0.0394 1.0000 Uani . . . . . .
H171 H -0.2259 1.2088 0.5884 0.0610 1.0000 Uiso R . . . . .
H173 H -0.0852 1.1357 0.6101 0.0610 1.0000 Uiso R . . . . .
H172 H -0.1373 1.0979 0.5609 0.0610 1.0000 Uiso R . . . . .
C18 C -0.2904(12) 1.0082(12) 0.6516(3) 0.0386 1.0000 Uani . . . . . .
H182 H -0.3535 1.0957 0.6518 0.0599 1.0000 Uiso R . . . . .
H181 H -0.2065 1.0286 0.6709 0.0600 1.0000 Uiso R . . . . .
H183 H -0.3371 0.9178 0.6618 0.0600 1.0000 Uiso R . . . . .
C19 C 0.3711(9) 0.5780(12) 0.5394(3) 0.0316 1.0000 Uani . U . . . .
C20 C 0.2568(9) 0.5547(12) 0.5069(3) 0.0318 1.0000 Uani . U . . . .
C21 C 0.2018(11) 0.4022(12) 0.4900(3) 0.0373 1.0000 Uani . . . . . .
C22 C 0.1751(15) 0.2827(14) 0.5245(4) 0.0525 1.0000 Uani . . . . . .
C23 C 0.1396(9) 0.3505(11) 0.5683(3) 0.0318 1.0000 Uani . . . . . .
C24 C 0.2402(10) 0.3868(11) 0.6008(3) 0.0347 1.0000 Uani . . . . . .
C25 C 0.3970(12) 0.3720(16) 0.6018(5) 0.0564 1.0000 Uani . . . . . .
C26 C 0.4556(11) 0.446(2) 0.5615(4) 0.0624 1.0000 Uani . . . . . .
H262 H 0.5492 0.4862 0.5709 0.0781 1.0000 Uiso R . . . . .
H261 H 0.4634 0.3649 0.5396 0.0780 1.0000 Uiso R . . . . .
H251 H 0.4390 0.4237 0.6282 0.0691 1.0000 Uiso R . . . . .
H252 H 0.4226 0.2628 0.6027 0.0691 1.0000 Uiso R . . . . .
H241 H 0.2062 0.3815 0.6302 0.0432 1.0000 Uiso R . . . . .
H231 H 0.0483 0.3196 0.5780 0.0401 1.0000 Uiso R . . . . .
H222 H 0.2597 0.2188 0.5302 0.0641 1.0000 Uiso R . . . . .
H221 H 0.0957 0.2184 0.5130 0.0639 1.0000 Uiso R . . . . .
H211 H 0.1121 0.4210 0.4727 0.0460 1.0000 Uiso R . . . . .
H212 H 0.2700 0.3589 0.4714 0.0460 1.0000 Uiso R . . . . .
H201 H 0.2469 0.6378 0.4848 0.0402 1.0000 Uiso R . . . . .
H191 H 0.4258 0.6734 0.5360 0.0390 1.0000 Uiso R . . . . .
C27 C 0.1719(14) 0.8433(11) 0.5520(3) 0.0429 1.0000 Uani . . . . . .
H272 H 0.0786 0.8698 0.5393 0.0681 1.0000 Uiso R . . . . .
H271 H 0.1942 0.9033 0.5783 0.0680 1.0000 Uiso R . . . . .
H273 H 0.2393 0.8659 0.5312 0.0682 1.0000 Uiso R . . . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.02372(16) 0.02094(16) 0.01878(16) -0.00045(11) 0.00418(10) -0.00440(11)
O2 0.025(3) 0.026(3) 0.026(3) 0.000(2) 0.016(2) 0.006(2)
Si3 0.0225(10) 0.0213(10) 0.0178(9) 0.0006(8) 0.0012(7) -0.0010(8)
O4 0.029(3) 0.024(3) 0.026(3) 0.001(2) -0.003(2) -0.005(2)
C5 0.031(4) 0.029(4) 0.028(4) -0.003(3) -0.008(3) -0.005(4)
C6 0.052(6) 0.059(7) 0.028(5) -0.009(5) -0.007(4) -0.012(6)
C7 0.038(5) 0.044(6) 0.048(6) 0.006(5) -0.018(4) -0.012(5)
C8 0.040(6) 0.045(6) 0.052(6) 0.000(5) -0.017(5) 0.006(5)
O9 0.035(3) 0.023(3) 0.018(3) -0.002(2) 0.003(2) -0.006(2)
C10 0.021(4) 0.031(4) 0.032(4) 0.001(4) 0.012(3) -0.005(3)
C11 0.042(6) 0.034(5) 0.062(7) 0.006(5) -0.016(5) -0.009(4)
C12 0.040(5) 0.044(6) 0.053(6) 0.021(5) 0.002(5) 0.000(5)
C13 0.104(11) 0.041(7) 0.069(9) 0.004(6) 0.063(9) -0.013(7)
O14 0.028(3) 0.022(3) 0.026(3) -0.003(2) -0.001(2) 0.004(2)
C15 0.031(4) 0.022(4) 0.032(4) -0.005(3) -0.003(3) 0.004(3)
C16 0.038(5) 0.046(6) 0.077(8) -0.022(6) -0.023(5) 0.017(5)
C17 0.050(6) 0.028(5) 0.041(5) 0.007(4) 0.006(4) 0.005(4)
C18 0.046(5) 0.030(5) 0.041(5) -0.001(4) 0.013(4) 0.014(4)
C19 0.030(3) 0.044(4) 0.024(3) -0.002(3) 0.018(2) -0.004(3)
C20 0.031(3) 0.043(4) 0.024(3) -0.002(3) 0.017(2) -0.004(3)
C21 0.043(5) 0.042(5) 0.027(4) -0.013(4) 0.006(4) -0.002(4)
C22 0.068(8) 0.035(6) 0.054(7) 0.002(5) -0.002(6) -0.022(5)
C23 0.023(4) 0.026(4) 0.048(5) 0.007(4) 0.010(4) -0.012(3)
C24 0.024(4) 0.038(5) 0.043(5) 0.003(4) 0.004(4) 0.009(4)
C25 0.035(6) 0.062(8) 0.072(8) 0.012(6) 0.002(5) 0.017(5)
C26 0.021(4) 0.132(13) 0.035(5) -0.001(7) 0.006(4) 0.006(6)
C27 0.079(8) 0.020(4) 0.030(5) 0.002(4) 0.010(5) -0.015(5)
_refine_ls_extinction_method     None
_oxford_refine_ls_scale          1.907(14)
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 . O2 . 1.988(5) yes
Pt1 . Si3 . 3.358(2) yes
Pt1 . C19 . 2.110(8) yes
Pt1 . C20 . 2.110(8) yes
Pt1 . C23 . 2.286(9) yes
Pt1 . C24 . 2.248(10) yes
Pt1 . C27 . 2.041(10) yes
O2 . Si3 . 1.589(6) yes
Si3 . O4 . 1.633(6) yes
Si3 . O9 . 1.629(6) yes
Si3 . O14 . 1.631(6) yes
O4 . C5 . 1.441(10) yes
C5 . C6 . 1.515(14) yes
C5 . C7 . 1.519(14) yes
C5 . C8 . 1.518(14) yes
C6 . H61 . 0.964 no
C6 . H63 . 0.961 no
C6 . H62 . 0.962 no
C7 . H72 . 0.960 no
C7 . H71 . 0.959 no
C7 . H73 . 0.963 no
C8 . H83 . 0.962 no
C8 . H81 . 0.963 no
C8 . H82 . 0.964 no
O9 . C10 . 1.429(10) yes
C10 . C11 . 1.521(13) yes
C10 . C12 . 1.517(14) yes
C10 . C13 . 1.516(13) yes
C11 . H111 . 0.961 no
C11 . H112 . 0.959 no
C11 . H113 . 0.963 no
C12 . H122 . 0.961 no
C12 . H123 . 0.962 no
C12 . H121 . 0.962 no
C13 . H131 . 0.961 no
C13 . H133 . 0.962 no
C13 . H132 . 0.963 no
O14 . C15 . 1.438(10) yes
C15 . C16 . 1.527(13) yes
C15 . C17 . 1.516(13) yes
C15 . C18 . 1.529(13) yes
C16 . H162 . 0.962 no
C16 . H161 . 0.963 no
C16 . H163 . 0.962 no
C17 . H171 . 0.960 no
C17 . H173 . 0.963 no
C17 . H172 . 0.960 no
C18 . H182 . 0.962 no
C18 . H181 . 0.961 no
C18 . H183 . 0.960 no
C19 . C20 . 1.414(13) yes
C19 . C26 . 1.514(18) yes
C19 . H191 . 0.982 no
C20 . C21 . 1.487(14) yes
C20 . H201 . 0.981 no
C21 . C22 . 1.508(15) yes
C21 . H211 . 0.972 no
C21 . H212 . 0.970 no
C22 . C23 . 1.521(16) yes
C22 . H222 . 0.974 no
C22 . H221 . 0.973 no
C23 . C24 . 1.344(13) yes
C23 . H231 . 0.974 no
C24 . C25 . 1.487(14) yes
C24 . H241 . 0.980 no
C25 . C26 . 1.529(18) yes
C25 . H251 . 0.972 no
C25 . H252 . 0.972 no
C26 . H262 . 0.970 no
C26 . H261 . 0.973 no
C27 . H272 . 0.959 no
C27 . H271 . 0.960 no
C27 . H273 . 0.959 no
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
O2 . Pt1 . Si3 . 17.92(17) yes
O2 . Pt1 . C19 . 160.6(3) yes
Si3 . Pt1 . C19 . 155.1(3) yes
O2 . Pt1 . C20 . 159.0(3) yes
Si3 . Pt1 . C20 . 158.5(3) yes
C19 . Pt1 . C20 . 39.1(4) yes
O2 . Pt1 . C23 . 89.3(3) yes
Si3 . Pt1 . C23 . 107.2(2) yes
C19 . Pt1 . C23 . 90.5(4) yes
C20 . Pt1 . C23 . 81.2(4) yes
O2 . Pt1 . C24 . 87.2(3) yes
Si3 . Pt1 . C24 . 102.7(3) yes
C19 . Pt1 . C24 . 81.8(4) yes
C20 . Pt1 . C24 . 95.2(4) yes
C23 . Pt1 . C24 . 34.5(3) yes
O2 . Pt1 . C27 . 92.4(4) yes
Si3 . Pt1 . C27 . 74.8(3) yes
C19 . Pt1 . C27 . 92.9(4) yes
C20 . Pt1 . C27 . 91.9(4) yes
C23 . Pt1 . C27 . 164.4(4) yes
C24 . Pt1 . C27 . 161.1(4) yes
Pt1 . O2 . Si3 . 139.5(4) yes
O2 . Si3 . Pt1 . 22.6(2) yes
O2 . Si3 . O4 . 116.5(3) yes
Pt1 . Si3 . O4 . 99.0(2) yes
O2 . Si3 . O9 . 109.2(3) yes
Pt1 . Si3 . O9 . 130.2(2) yes
O4 . Si3 . O9 . 104.8(3) yes
O2 . Si3 . O14 . 107.4(3) yes
Pt1 . Si3 . O14 . 101.4(2) yes
O4 . Si3 . O14 . 106.8(3) yes
O9 . Si3 . O14 . 112.2(3) yes
Si3 . O4 . C5 . 130.3(6) yes
O4 . C5 . C6 . 109.0(8) yes
O4 . C5 . C7 . 105.5(7) yes
C6 . C5 . C7 . 111.0(9) yes
O4 . C5 . C8 . 109.8(7) yes
C6 . C5 . C8 . 111.1(9) yes
C7 . C5 . C8 . 110.4(9) yes
C5 . C6 . H61 . 110.0 no
C5 . C6 . H63 . 109.5 no
H61 . C6 . H63 . 108.9 no
C5 . C6 . H62 . 110.3 no
H61 . C6 . H62 . 109.1 no
H63 . C6 . H62 . 109.0 no
C5 . C7 . H72 . 110.0 no
C5 . C7 . H71 . 109.7 no
H72 . C7 . H71 . 109.5 no
C5 . C7 . H73 . 109.3 no
H72 . C7 . H73 . 109.3 no
H71 . C7 . H73 . 109.0 no
C5 . C8 . H83 . 109.4 no
C5 . C8 . H81 . 110.1 no
H83 . C8 . H81 . 109.6 no
C5 . C8 . H82 . 109.2 no
H83 . C8 . H82 . 109.1 no
H81 . C8 . H82 . 109.4 no
Si3 . O9 . C10 . 131.5(5) yes
O9 . C10 . C11 . 110.0(7) yes
O9 . C10 . C12 . 109.0(7) yes
C11 . C10 . C12 . 109.2(9) yes
O9 . C10 . C13 . 105.5(8) yes
C11 . C10 . C13 . 113.0(10) yes
C12 . C10 . C13 . 110.1(10) yes
C10 . C11 . H111 . 109.3 no
C10 . C11 . H112 . 109.5 no
H111 . C11 . H112 . 109.2 no
C10 . C11 . H113 . 109.8 no
H111 . C11 . H113 . 109.5 no
H112 . C11 . H113 . 109.5 no
C10 . C12 . H122 . 109.7 no
C10 . C12 . H123 . 109.0 no
H122 . C12 . H123 . 109.8 no
C10 . C12 . H121 . 109.2 no
H122 . C12 . H121 . 109.3 no
H123 . C12 . H121 . 109.8 no
C10 . C13 . H131 . 109.1 no
C10 . C13 . H133 . 109.9 no
H131 . C13 . H133 . 109.3 no
C10 . C13 . H132 . 109.9 no
H131 . C13 . H132 . 109.3 no
H133 . C13 . H132 . 109.3 no
Si3 . O14 . C15 . 132.0(5) yes
O14 . C15 . C16 . 105.3(7) yes
O14 . C15 . C17 . 108.1(7) yes
C16 . C15 . C17 . 111.1(9) yes
O14 . C15 . C18 . 111.3(7) yes
C16 . C15 . C18 . 111.1(9) yes
C17 . C15 . C18 . 109.7(8) yes
C15 . C16 . H162 . 109.8 no
C15 . C16 . H161 . 109.7 no
H162 . C16 . H161 . 109.2 no
C15 . C16 . H163 . 110.2 no
H162 . C16 . H163 . 108.9 no
H161 . C16 . H163 . 109.1 no
C15 . C17 . H171 . 110.0 no
C15 . C17 . H173 . 109.6 no
H171 . C17 . H173 . 109.0 no
C15 . C17 . H172 . 109.8 no
H171 . C17 . H172 . 109.0 no
H173 . C17 . H172 . 109.4 no
C15 . C18 . H182 . 109.9 no
C15 . C18 . H181 . 109.6 no
H182 . C18 . H181 . 109.4 no
C15 . C18 . H183 . 109.5 no
H182 . C18 . H183 . 109.2 no
H181 . C18 . H183 . 109.2 no
Pt1 . C19 . C20 . 70.4(5) yes
Pt1 . C19 . C26 . 111.7(6) yes
C20 . C19 . C26 . 123.0(10) yes
Pt1 . C19 . H191 . 114.2 no
C20 . C19 . H191 . 114.9 no
C26 . C19 . H191 . 114.5 no
C19 . C20 . Pt1 . 70.4(5) yes
C19 . C20 . C21 . 126.0(9) yes
Pt1 . C20 . C21 . 111.6(6) yes
C19 . C20 . H201 . 113.4 no
Pt1 . C20 . H201 . 114.0 no
C21 . C20 . H201 . 113.6 no
C20 . C21 . C22 . 116.0(8) yes
C20 . C21 . H211 . 107.5 no
C22 . C21 . H211 . 107.4 no
C20 . C21 . H212 . 108.1 no
C22 . C21 . H212 . 107.8 no
H211 . C21 . H212 . 110.0 no
C21 . C22 . C23 . 114.4(9) yes
C21 . C22 . H222 . 108.8 no
C23 . C22 . H222 . 107.8 no
C21 . C22 . H221 . 108.1 no
C23 . C22 . H221 . 108.1 no
H222 . C22 . H221 . 109.8 no
C22 . C23 . Pt1 . 108.7(6) yes
C22 . C23 . C24 . 122.3(9) yes
Pt1 . C23 . C24 . 71.2(6) yes
C22 . C23 . H231 . 115.5 no
Pt1 . C23 . H231 . 114.8 no
C24 . C23 . H231 . 115.6 no
Pt1 . C24 . C23 . 74.3(6) yes
Pt1 . C24 . C25 . 107.8(7) yes
C23 . C24 . C25 . 129.4(10) yes
Pt1 . C24 . H241 . 111.0 no
C23 . C24 . H241 . 113.0 no
C25 . C24 . H241 . 112.7 no
C24 . C25 . C26 . 112.4(10) yes
C24 . C25 . H251 . 108.1 no
C26 . C25 . H251 . 108.7 no
C24 . C25 . H252 . 109.3 no
C26 . C25 . H252 . 108.5 no
H251 . C25 . H252 . 109.8 no
C25 . C26 . C19 . 117.0(9) yes
C25 . C26 . H262 . 107.5 no
C19 . C26 . H262 . 107.0 no
C25 . C26 . H261 . 107.9 no
C19 . C26 . H261 . 107.7 no
H262 . C26 . H261 . 109.5 no
Pt1 . C27 . H272 . 109.2 no
Pt1 . C27 . H271 . 109.5 no
H272 . C27 . H271 . 109.5 no
Pt1 . C27 . H273 . 110.1 no
H272 . C27 . H273 . 109.2 no
H271 . C27 . H273 . 109.3 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_site_symmetry_D
_geom_hbond_atom_site_label_H
_geom_hbond_site_symmetry_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_angle_DHA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_publ_flag
C6 . H62 . O9 . 129.00 0.96 2.48 3.176(16) yes
_iucr_refine_instruction_details_constraints 
;
#
# Punched on 26/01/12 at 15:38:07
#
#LIST 12
BLOCK SCALE X'S, U'S
RIDE C ( 6,X'S) H ( 61,X'S) H ( 63,X'S) H ( 62,X'S)
RIDE C ( 7,X'S) H ( 72,X'S) H ( 71,X'S) H ( 73,X'S)
RIDE C ( 8,X'S) H ( 83,X'S) H ( 81,X'S) H ( 82,X'S)
RIDE C ( 11,X'S) H ( 111,X'S) H ( 112,X'S) H ( 113,X'S)
RIDE C ( 12,X'S) H ( 122,X'S) H ( 123,X'S) H ( 121,X'S)
RIDE C ( 13,X'S) H ( 131,X'S) H ( 133,X'S) H ( 132,X'S)
RIDE C ( 16,X'S) H ( 162,X'S) H ( 161,X'S) H ( 163,X'S)
RIDE C ( 17,X'S) H ( 171,X'S) H ( 173,X'S) H ( 172,X'S)
RIDE C ( 18,X'S) H ( 182,X'S) H ( 181,X'S) H ( 183,X'S)
RIDE C ( 19,X'S) H ( 191,X'S)
RIDE C ( 20,X'S) H ( 201,X'S)
RIDE C ( 21,X'S) H ( 211,X'S) H ( 212,X'S)
RIDE C ( 22,X'S) H ( 222,X'S) H ( 221,X'S)
RIDE C ( 23,X'S) H ( 231,X'S)
RIDE C ( 24,X'S) H ( 241,X'S)
RIDE C ( 25,X'S) H ( 251,X'S) H ( 252,X'S)
RIDE C ( 26,X'S) H ( 262,X'S) H ( 261,X'S)
RIDE C ( 27,X'S) H ( 272,X'S) H ( 271,X'S) H ( 273,X'S)
END
;
_iucr_refine_instruction_details_restraints 
;
#
# Punched on 26/01/12 at 15:38:07
#
#LIST 16
NO
REM HREST START (DO NOT REMOVE THIS LINE)
REM HREST END (DO NOT REMOVE THIS LINE)
U(IJ)'S 0.0, 0.0010000 = C(19) TO C(20)
END
;


data_1
_database_code_depnum_ccdc_archive 'CCDC 891315'
_exptl_special_details
;
The crystal was
placed in the cold stream of an Oxford
Cryosystems open-flow nitrogen cryostat (Cosier &
Glazer, 1986) with a nominal stability of 0.1K.
Cosier, J. & Glazer, A.M., 1986. J. Appl. Cryst. 105-107.
;
_refine_special_details
;
?
;
#---------------------------------------------------------------
# _oxford_ data items, April 2010:
# There is some uncertainty about the correct way of forming local data
# names, e.g.
# _atom_site_special_shape_oxford
# or
# _oxford_atom_site_special_shape
# see:
# http://www.iucr.org/resources/cif/spec/version1.1/semantics#namespace
# A reserved prefix, e.g. foo, must be used in the following way
# " If the data file contains items defined in a DDL1 dictionary, the
# local data names assigned under the reserved prefix must contain it as
# their first component, e.g. _foo_atom_site_my_item. "
# However, this seems to say the opposite:
# http://www.iucr.org/__data/iucr/cif/standard/cifstd8.html
# According to advice from the IUCr, CRYSTALS is correct
#---------------------------------------------------------------
# End of 'script/refcif.dat'
#end of refcif
_cell_length_a 10.5195(5)
_cell_length_b 11.5936(6)
_cell_length_c 14.5167(8)
_cell_angle_alpha 72.425(5)
_cell_angle_beta 80.632(4)
_cell_angle_gamma 89.822(4)
_cell_volume 1663.29(16)
_symmetry_cell_setting Triclinic
_symmetry_space_group_name_H-M 'P -1 '
_symmetry_space_group_name_Hall '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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'
Si 0.0817 0.0704 6.2915 2.4386 3.0353 32.3337 1.9891 0.6785 1.5410 81.6937
1.1407 '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'
_cell_formula_units_Z 2
# Given Formula = C12 H14 N1 O2 Pt1 Si3
# Dc = 0.97 Fooo = 744.00 Mu = 43.24 M = 483.60
# Found Formula = C26 H57 N1 O4 Pt1 Si3
# Dc = 1.45 FOOO = 744.00 Mu = 43.55 M = 727.09
_chemical_formula_sum 'C26 H57 N1 O4 Pt1 Si3'
_chemical_formula_moiety 'C26 H57 N1 O4 Pt1 Si3'
_chemical_compound_source ?
_chemical_formula_weight 727.09
_cell_measurement_theta_min 3.5266
_cell_measurement_theta_max 29.5133
_cell_measurement_temperature 150
_exptl_crystal_description block
_exptl_crystal_colour 'light yellow'
_exptl_crystal_size_min 0.447
_exptl_crystal_size_mid 0.526
_exptl_crystal_size_max 0.631
_exptl_crystal_density_diffrn 1.452
_exptl_crystal_density_meas ?
_exptl_crystal_density_method 'not measured'
# Non-dispersive F(000):
_exptl_crystal_F_000 744
_exptl_absorpt_coefficient_mu 4.355
# Sheldrick geometric approximatio 0.10 0.14
_exptl_absorpt_correction_T_min 0.163
_exptl_absorpt_correction_T_max 0.275
_exptl_absorpt_correction_type analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_diffrn_radiation_wavelength 0.7107
_diffrn_radiation_type 'Mo K\a'
_diffrn_radiation_source 'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator graphite
_diffrn_measurement_device_type 'Xcalibur, Atlas, Gemini ultra'
_diffrn_detector_area_resol_mean 10.4685
_diffrn_measurement_method \w
# If a reference occurs more than once, delete the author
# and date from subsequent references.
_computing_data_collection 'Gemini, (Oxford Diffraction, 2006)'
_computing_cell_refinement 'CrysAlis, (Oxford Diffraction, 2002)'
_computing_data_reduction 'CrysAlis, (Oxford Diffraction, 2002)'
_computing_structure_solution 'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement 'CRYSTALS (Betteridge et al., 2003)'
_computing_publication_material 'CRYSTALS (Betteridge et al., 2003)'
_computing_molecular_graphics 'CAMERON (Watkin et al., 1996)'
_diffrn_standards_interval_time .
_diffrn_standards_interval_count .
_diffrn_standards_number 0
_diffrn_standards_decay_% ?
_diffrn_ambient_temperature 150
_diffrn_reflns_number 43516
_reflns_number_total 8476
_diffrn_reflns_av_R_equivalents 0.052
# Number of reflections without Friedels Law is 15913
# Number of reflections with Friedels Law is 8476
# Theoretical number of reflections is about 9336
_diffrn_reflns_theta_min 3.534
_diffrn_reflns_theta_max 29.577
_diffrn_measured_fraction_theta_max 0.907
_diffrn_reflns_theta_full 25.140
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_limit_h_min -14
_diffrn_reflns_limit_h_max 14
_diffrn_reflns_limit_k_min -15
_diffrn_reflns_limit_k_max 15
_diffrn_reflns_limit_l_min -20
_diffrn_reflns_limit_l_max 20
_reflns_limit_h_min -14
_reflns_limit_h_max 14
_reflns_limit_k_min -14
_reflns_limit_k_max 15
_reflns_limit_l_min 0
_reflns_limit_l_max 20
_oxford_diffrn_Wilson_B_factor 0.09
_oxford_diffrn_Wilson_scale 0.06
_atom_sites_solution_primary Direct #heavy,direct,difmap,geom
# _atom_sites_solution_secondary difmap
_atom_sites_solution_hydrogens difmap
_refine_diff_density_min -1.76
_refine_diff_density_max 1.86
# The current dictionary definitions do not cover the
# situation where the reflections used for refinement were
# selected by a user-defined sigma threshold
# The values actually used during refinement
_oxford_reflns_threshold_expression_ref I>-10.0\s(I)
_refine_ls_number_reflns 8476
_refine_ls_number_restraints 0
_refine_ls_number_parameters 317
_oxford_refine_ls_R_factor_ref 0.0340
_refine_ls_wR_factor_ref 0.0663
_refine_ls_goodness_of_fit_ref 1.0036
_refine_ls_shift/su_max 0.0021554
_refine_ls_shift/su_mean 0.0000313
# The values computed from all data
_oxford_reflns_number_all 8476
_refine_ls_R_factor_all 0.0340
_refine_ls_wR_factor_all 0.0663
# The values computed with a 2 sigma cutoff - a la SHELX
_reflns_threshold_expression I>2.0\s(I)
_reflns_number_gt 7881
_refine_ls_R_factor_gt 0.0306
_refine_ls_wR_factor_gt 0.0612
# choose from: rm (reference molecule of known chirality),
# ad (anomolous dispersion - Flack), rmad (rm and ad),
# syn (from synthesis), unk (unknown) or . (not applicable).
_chemical_absolute_configuration .
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type full
_refine_ls_hydrogen_treatment constr # none, undef, noref, refall,
# refxyz, refU, constr or mixed
_refine_ls_weighting_scheme calc
_refine_ls_weighting_details
;
Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982)
[weight] = 1.0/[A~0~*T~0~(x)+A~1~*T~1~(x) ... +A~n-1~]*T~n-1~(x)]
where A~i~ are the Chebychev coefficients listed below and x= Fcalc/Fmax
Method = Robust Weighting (Prince, 1982)
W = [weight] * [1-(deltaF/6*sigmaF)^2^]^2^
A~i~ are:
0.210E+04 0.293E+04 0.161E+04 529.
;
# Insert your own references if required - in alphabetical order
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
C1 C 0.3650(4) 0.4220(3) 0.7472(3) 0.0207 1.0000 Uani . . . . . .
C2 C 0.2565(4) 0.4052(3) 0.8196(3) 0.0221 1.0000 Uani . . . . . .
C3 C 0.2577(4) 0.3626(4) 0.9286(3) 0.0272 1.0000 Uani . . . . . .
C4 C 0.3638(4) 0.4265(4) 0.9591(3) 0.0239 1.0000 Uani . . . . . .
C5 C 0.3919(4) 0.5564(4) 0.8937(3) 0.0184 1.0000 Uani . . . . . .
C6 C 0.4878(4) 0.5920(4) 0.8117(3) 0.0205 1.0000 Uani . . . . . .
C7 C 0.5726(4) 0.5092(4) 0.7707(3) 0.0260 1.0000 Uani . . . . . .
C8 C 0.5022(4) 0.3958(4) 0.7675(3) 0.0253 1.0000 Uani . . . . . .
C9 C 0.1837(4) 1.0455(4) 0.6810(3) 0.0243 1.0000 Uani . . . . . .
C10 C 0.0519(5) 0.9892(5) 0.7333(4) 0.0418 1.0000 Uani . . . . . .
C11 C 0.1878(6) 1.1806(4) 0.6663(4) 0.0414 1.0000 Uani . . . . . .
C12 C 0.2200(6) 1.0199(5) 0.5837(4) 0.0451 1.0000 Uani . . . . . .
C13 C 0.5671(4) 0.9407(4) 0.7783(3) 0.0240 1.0000 Uani . . . . . .
C14 C 0.5903(5) 0.9439(5) 0.6707(3) 0.0322 1.0000 Uani . . . . . .
C15 C 0.6759(4) 0.8787(5) 0.8290(4) 0.0349 1.0000 Uani . . . . . .
C16 C 0.5542(5) 1.0680(5) 0.7862(4) 0.0376 1.0000 Uani . . . . . .
C17 C 0.1926(4) 0.8354(4) 0.9937(3) 0.0224 1.0000 Uani . . . . . .
C18 C 0.2820(5) 0.7619(5) 1.0590(3) 0.0347 1.0000 Uani . . . . . .
C19 C 0.0525(5) 0.7983(5) 1.0392(4) 0.0372 1.0000 Uani . . . . . .
C20 C 0.2181(5) 0.9706(4) 0.9743(4) 0.0339 1.0000 Uani . . . . . .
C21 C -0.0515(4) 0.4535(4) 0.6989(4) 0.0302 1.0000 Uani . . . . . .
C22 C -0.0141(5) 0.5930(4) 0.8410(3) 0.0292 1.0000 Uani . . . . . .
C23 C -0.0816(5) 0.7215(5) 0.6448(4) 0.0355 1.0000 Uani . . . . . .
C24 C 0.1578(5) 0.7520(5) 0.4561(3) 0.0324 1.0000 Uani . . . . . .
C25 C 0.4169(4) 0.7231(5) 0.5212(3) 0.0322 1.0000 Uani . . . . . .
C26 C 0.2739(6) 0.5108(5) 0.4993(3) 0.0363 1.0000 Uani . . . . . .
Pt1 Pt 0.305273(15) 0.593662(14) 0.760188(11) 0.0139 1.0000 Uani . . . . . .
O1 O 0.2988(3) 0.7725(2) 0.7358(2) 0.0189 1.0000 Uani . . . . . .
Si1 Si 0.31001(10) 0.86037(9) 0.80000(8) 0.0158 1.0000 Uani . . . . . .
O4 O 0.2117(3) 0.8042(2) 0.9035(2) 0.0191 1.0000 Uani . . . . . .
O2 O 0.2795(3) 0.9983(2) 0.7415(2) 0.0205 1.0000 Uani . . . . . .
O3 O 0.4518(3) 0.8694(2) 0.8309(2) 0.0188 1.0000 Uani . . . . . .
Si2 Si 0.01826(11) 0.59699(11) 0.70898(8) 0.0191 1.0000 Uani . . . . . .
Si3 Si 0.25340(11) 0.64830(10) 0.54239(8) 0.0191 1.0000 Uani . . . . . .
N1 N 0.1796(3) 0.6148(3) 0.6625(2) 0.0169 1.0000 Uani . . . . . .
H11 H 0.3495 0.4128 0.6851 0.0254 1.0000 Uiso R . . . . .
H82 H 0.4981 0.3333 0.8298 0.0299 1.0000 Uiso R . . . . .
H81 H 0.5497 0.3675 0.7160 0.0303 1.0000 Uiso R . . . . .
H72 H 0.6394 0.4846 0.8104 0.0311 1.0000 Uiso R . . . . .
H71 H 0.6134 0.5538 0.7050 0.0309 1.0000 Uiso R . . . . .
H102 H -0.0127 1.0238 0.6947 0.0627 1.0000 Uiso R . . . . .
H103 H 0.0319 1.0042 0.7958 0.0630 1.0000 Uiso R . . . . .
H101 H 0.0509 0.9032 0.7437 0.0628 1.0000 Uiso R . . . . .
H141 H 0.6699 0.9898 0.6379 0.0478 1.0000 Uiso R . . . . .
H142 H 0.5964 0.8622 0.6661 0.0477 1.0000 Uiso R . . . . .
H143 H 0.5210 0.9820 0.6391 0.0477 1.0000 Uiso R . . . . .
H151 H 0.7553 0.9263 0.8008 0.0519 1.0000 Uiso R . . . . .
H152 H 0.6571 0.8722 0.8978 0.0520 1.0000 Uiso R . . . . .
H153 H 0.6853 0.7986 0.8225 0.0518 1.0000 Uiso R . . . . .
H162 H 0.6341 1.1137 0.7564 0.0561 1.0000 Uiso R . . . . .
H161 H 0.5355 1.0645 0.8539 0.0560 1.0000 Uiso R . . . . .
H163 H 0.4861 1.1064 0.7534 0.0559 1.0000 Uiso R . . . . .
H51 H 0.3693 0.6175 0.9270 0.0219 1.0000 Uiso R . . . . .
H222 H 0.0275 0.6620 0.8486 0.0441 1.0000 Uiso R . . . . .
H223 H 0.0174 0.5208 0.8816 0.0439 1.0000 Uiso R . . . . .
H221 H -0.1059 0.5946 0.8618 0.0441 1.0000 Uiso R . . . . .
H212 H -0.0403 0.4561 0.6316 0.0451 1.0000 Uiso R . . . . .
H211 H -0.0087 0.3857 0.7345 0.0453 1.0000 Uiso R . . . . .
H213 H -0.1419 0.4433 0.7250 0.0453 1.0000 Uiso R . . . . .
H242 H 0.1460 0.8258 0.4723 0.0491 1.0000 Uiso R . . . . .
H241 H 0.2038 0.7699 0.3902 0.0490 1.0000 Uiso R . . . . .
H243 H 0.0757 0.7134 0.4611 0.0490 1.0000 Uiso R . . . . .
H261 H 0.3444 0.4672 0.5238 0.0541 1.0000 Uiso R . . . . .
H263 H 0.2908 0.5358 0.4291 0.0540 1.0000 Uiso R . . . . .
H262 H 0.1976 0.4594 0.5218 0.0541 1.0000 Uiso R . . . . .
H253 H 0.4739 0.6671 0.5553 0.0480 1.0000 Uiso R . . . . .
H251 H 0.4128 0.7937 0.5429 0.0480 1.0000 Uiso R . . . . .
H252 H 0.4511 0.7476 0.4522 0.0481 1.0000 Uiso R . . . . .
H32 H 0.2671 0.2757 0.9507 0.0328 1.0000 Uiso R . . . . .
H31 H 0.1742 0.3802 0.9610 0.0331 1.0000 Uiso R . . . . .
H193 H 0.0338 0.8148 1.1008 0.0559 1.0000 Uiso R . . . . .
H192 H 0.0364 0.7129 1.0500 0.0559 1.0000 Uiso R . . . . .
H191 H -0.0030 0.8434 0.9963 0.0558 1.0000 Uiso R . . . . .
H61 H 0.5244 0.6751 0.7946 0.0254 1.0000 Uiso R . . . . .
H21 H 0.1766 0.3853 0.8019 0.0271 1.0000 Uiso R . . . . .
H42 H 0.3372 0.4263 1.0262 0.0289 1.0000 Uiso R . . . . .
H41 H 0.4425 0.3825 0.9559 0.0288 1.0000 Uiso R . . . . .
H111 H 0.1222 1.2172 0.6291 0.0617 1.0000 Uiso R . . . . .
H112 H 0.1734 1.1949 0.7289 0.0621 1.0000 Uiso R . . . . .
H113 H 0.2714 1.2150 0.6314 0.0620 1.0000 Uiso R . . . . .
H183 H 0.2677 0.7779 1.1207 0.0517 1.0000 Uiso R . . . . .
H181 H 0.3697 0.7838 1.0285 0.0518 1.0000 Uiso R . . . . .
H182 H 0.2650 0.6772 1.0698 0.0519 1.0000 Uiso R . . . . .
H231 H -0.0944 0.7112 0.5842 0.0531 1.0000 Uiso R . . . . .
H233 H -0.0383 0.7985 0.6319 0.0528 1.0000 Uiso R . . . . .
H232 H -0.1631 0.7194 0.6852 0.0532 1.0000 Uiso R . . . . .
H203 H 0.1979 0.9890 1.0355 0.0508 1.0000 Uiso R . . . . .
H201 H 0.3071 0.9925 0.9467 0.0508 1.0000 Uiso R . . . . .
H202 H 0.1651 1.0162 0.9298 0.0508 1.0000 Uiso R . . . . .
H121 H 0.1598 1.0562 0.5415 0.0678 1.0000 Uiso R . . . . .
H122 H 0.3053 1.0542 0.5526 0.0679 1.0000 Uiso R . . . . .
H123 H 0.2180 0.9344 0.5940 0.0680 1.0000 Uiso R . . . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.031(2) 0.0096(16) 0.026(2) -0.0097(15) -0.0090(17) 0.0056(15)
C2 0.029(2) 0.0131(18) 0.025(2) -0.0038(15) -0.0116(17) -0.0021(15)
C3 0.029(2) 0.025(2) 0.022(2) 0.0038(17) -0.0095(18) -0.0050(17)
C4 0.028(2) 0.025(2) 0.0180(19) -0.0027(16) -0.0104(17) 0.0033(17)
C5 0.0211(19) 0.0230(19) 0.0161(18) -0.0087(15) -0.0123(15) 0.0072(15)
C6 0.0140(18) 0.0221(19) 0.028(2) -0.0071(16) -0.0131(16) 0.0035(15)
C7 0.019(2) 0.024(2) 0.032(2) -0.0060(18) -0.0040(17) 0.0052(16)
C8 0.030(2) 0.020(2) 0.027(2) -0.0088(17) -0.0043(18) 0.0103(17)
C9 0.031(2) 0.0184(19) 0.025(2) -0.0037(16) -0.0119(18) 0.0060(16)
C10 0.031(3) 0.040(3) 0.051(3) -0.002(2) -0.019(2) -0.001(2)
C11 0.049(3) 0.018(2) 0.059(4) -0.007(2) -0.024(3) 0.012(2)
C12 0.067(4) 0.049(3) 0.026(3) -0.014(2) -0.022(3) 0.024(3)
C13 0.0191(19) 0.025(2) 0.027(2) -0.0078(17) -0.0013(16) -0.0031(16)
C14 0.032(2) 0.035(3) 0.027(2) -0.010(2) 0.0036(19) -0.004(2)
C15 0.022(2) 0.041(3) 0.041(3) -0.011(2) -0.008(2) -0.005(2)
C16 0.040(3) 0.031(3) 0.041(3) -0.013(2) -0.001(2) -0.011(2)
C17 0.025(2) 0.024(2) 0.020(2) -0.0096(16) -0.0030(16) 0.0047(16)
C18 0.038(3) 0.046(3) 0.023(2) -0.011(2) -0.010(2) 0.012(2)
C19 0.032(3) 0.046(3) 0.032(3) -0.014(2) 0.003(2) 0.004(2)
C20 0.047(3) 0.028(2) 0.030(2) -0.016(2) -0.004(2) 0.005(2)
C21 0.023(2) 0.034(2) 0.036(3) -0.016(2) -0.0035(19) -0.0055(18)
C22 0.029(2) 0.036(3) 0.022(2) -0.0103(19) -0.0001(18) 0.0006(19)
C23 0.030(3) 0.041(3) 0.034(3) -0.009(2) -0.009(2) 0.012(2)
C24 0.037(3) 0.035(3) 0.022(2) -0.0018(19) -0.0074(19) 0.000(2)
C25 0.027(2) 0.041(3) 0.023(2) -0.004(2) -0.0006(18) -0.003(2)
C26 0.055(3) 0.035(3) 0.020(2) -0.014(2) -0.001(2) 0.004(2)
Pt1 0.01540(7) 0.01339(7) 0.01420(7) -0.00489(5) -0.00506(5) 0.00228(5)
O1 0.0304(16) 0.0075(12) 0.0229(14) -0.0074(10) -0.0104(12) 0.0035(11)
Si1 0.0183(5) 0.0129(5) 0.0176(5) -0.0056(4) -0.0055(4) 0.0022(4)
O4 0.0210(14) 0.0171(13) 0.0211(14) -0.0087(11) -0.0037(11) 0.0025(11)
O2 0.0256(15) 0.0153(13) 0.0213(14) -0.0044(11) -0.0088(12) 0.0048(11)
O3 0.0170(13) 0.0185(13) 0.0200(14) -0.0038(11) -0.0047(11) -0.0012(11)
Si2 0.0172(5) 0.0232(5) 0.0190(5) -0.0084(4) -0.0053(4) 0.0031(4)
Si3 0.0219(5) 0.0210(5) 0.0136(5) -0.0037(4) -0.0038(4) 0.0008(4)
N1 0.0178(16) 0.0209(16) 0.0140(15) -0.0037(12) -0.0121(13) 0.0060(13)
_refine_ls_extinction_coef 21(2)
_refine_ls_extinction_method 'Larson (1970), Equation 22'
_oxford_refine_ls_scale 4.32(4)
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
C1 . C2 . 1.391(6) yes
C1 . C8 . 1.531(6) yes
C1 . Pt1 . 2.139(4) yes
C1 . H11 . 0.977 no
C2 . C3 . 1.511(6) yes
C2 . Pt1 . 2.123(4) yes
C2 . H21 . 0.966 no
C3 . C4 . 1.534(6) yes
C3 . H32 . 0.970 no
C3 . H31 . 0.978 no
C4 . C5 . 1.518(6) yes
C4 . H42 . 0.969 no
C4 . H41 . 0.974 no
C5 . C6 . 1.385(6) yes
C5 . Pt1 . 2.201(4) yes
C5 . H51 . 0.979 no
C6 . C7 . 1.497(6) yes
C6 . Pt1 . 2.169(4) yes
C6 . H61 . 0.982 no
C7 . C8 . 1.528(6) yes
C7 . H72 . 0.968 no
C7 . H71 . 0.965 no
C8 . H82 . 0.967 no
C8 . H81 . 0.971 no
C9 . C10 . 1.513(7) yes
C9 . C11 . 1.515(6) yes
C9 . C12 . 1.519(7) yes
C9 . O2 . 1.442(5) yes
C10 . H102 . 0.961 no
C10 . H103 . 0.965 no
C10 . H101 . 0.961 no
C11 . H111 . 0.964 no
C11 . H112 . 0.961 no
C11 . H113 . 0.961 no
C12 . H121 . 0.960 no
C12 . H122 . 0.964 no
C12 . H123 . 0.957 no
C13 . C14 . 1.530(6) yes
C13 . C15 . 1.523(6) yes
C13 . C16 . 1.518(6) yes
C13 . O3 . 1.435(5) yes
C14 . H141 . 0.965 no
C14 . H142 . 0.971 no
C14 . H143 . 0.961 no
C15 . H151 . 0.962 no
C15 . H152 . 0.966 no
C15 . H153 . 0.964 no
C16 . H162 . 0.959 no
C16 . H161 . 0.959 no
C16 . H163 . 0.958 no
C17 . C18 . 1.519(6) yes
C17 . C19 . 1.519(6) yes
C17 . C20 . 1.522(6) yes
C17 . O4 . 1.444(5) yes
C18 . H183 . 0.957 no
C18 . H181 . 0.956 no
C18 . H182 . 0.959 no
C19 . H193 . 0.959 no
C19 . H192 . 0.966 no
C19 . H191 . 0.961 no
C20 . H203 . 0.966 no
C20 . H201 . 0.959 no
C20 . H202 . 0.958 no
C21 . Si2 . 1.875(5) yes
C21 . H212 . 0.957 no
C21 . H211 . 0.958 no
C21 . H213 . 0.958 no
C22 . Si2 . 1.877(4) yes
C22 . H222 . 0.956 no
C22 . H223 . 0.960 no
C22 . H221 . 0.965 no
C23 . Si2 . 1.885(5) yes
C23 . H231 . 0.954 no
C23 . H233 . 0.956 no
C23 . H232 . 0.952 no
C24 . Si3 . 1.876(5) yes
C24 . H242 . 0.956 no
C24 . H241 . 0.961 no
C24 . H243 . 0.956 no
C25 . Si3 . 1.866(5) yes
C25 . H253 . 0.962 no
C25 . H251 . 0.961 no
C25 . H252 . 0.962 no
C26 . Si3 . 1.880(5) yes
C26 . H261 . 0.954 no
C26 . H263 . 0.957 no
C26 . H262 . 0.952 no
Pt1 . O1 . 1.999(3) yes
Pt1 . N1 . 2.053(3) yes
O1 . Si1 . 1.591(3) yes
Si1 . O4 . 1.630(3) yes
Si1 . O2 . 1.627(3) yes
Si1 . O3 . 1.639(3) yes
Si2 . N1 . 1.710(4) yes
Si3 . N1 . 1.716(3) yes
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
C2 . C1 . C8 . 124.3(4) yes
C2 . C1 . Pt1 . 70.3(2) yes
C8 . C1 . Pt1 . 112.8(3) yes
C2 . C1 . H11 . 115.3 no
C8 . C1 . H11 . 114.3 no
Pt1 . C1 . H11 . 110.7 no
C1 . C2 . C3 . 125.1(4) yes
C1 . C2 . Pt1 . 71.6(2) yes
C3 . C2 . Pt1 . 110.7(3) yes
C1 . C2 . H21 . 115.6 no
C3 . C2 . H21 . 113.9 no
Pt1 . C2 . H21 . 110.9 no
C2 . C3 . C4 . 113.4(3) yes
C2 . C3 . H32 . 110.1 no
C4 . C3 . H32 . 109.4 no
C2 . C3 . H31 . 107.2 no
C4 . C3 . H31 . 108.2 no
H32 . C3 . H31 . 108.4 no
C3 . C4 . C5 . 112.0(3) yes
C3 . C4 . H42 . 109.3 no
C5 . C4 . H42 . 109.0 no
C3 . C4 . H41 . 109.5 no
C5 . C4 . H41 . 109.0 no
H42 . C4 . H41 . 108.0 no
C4 . C5 . C6 . 124.2(4) yes
C4 . C5 . Pt1 . 112.1(3) yes
C6 . C5 . Pt1 . 70.3(2) yes
C4 . C5 . H51 . 114.4 no
C6 . C5 . H51 . 115.7 no
Pt1 . C5 . H51 . 110.7 no
C5 . C6 . C7 . 125.7(4) yes
C5 . C6 . Pt1 . 72.8(2) yes
C7 . C6 . Pt1 . 107.7(3) yes
C5 . C6 . H61 . 115.9 no
C7 . C6 . H61 . 114.3 no
Pt1 . C6 . H61 . 110.0 no
C6 . C7 . C8 . 114.3(4) yes
C6 . C7 . H72 . 108.3 no
C8 . C7 . H72 . 108.6 no
C6 . C7 . H71 . 108.5 no
C8 . C7 . H71 . 108.7 no
H72 . C7 . H71 . 108.2 no
C1 . C8 . C7 . 111.3(3) yes
C1 . C8 . H82 . 109.1 no
C7 . C8 . H82 . 109.2 no
C1 . C8 . H81 . 109.1 no
C7 . C8 . H81 . 109.0 no
H82 . C8 . H81 . 109.2 no
C10 . C9 . C11 . 110.4(4) yes
C10 . C9 . C12 . 111.2(4) yes
C11 . C9 . C12 . 110.8(4) yes
C10 . C9 . O2 . 110.0(4) yes
C11 . C9 . O2 . 105.2(4) yes
C12 . C9 . O2 . 109.1(4) yes
C9 . C10 . H102 . 110.1 no
C9 . C10 . H103 . 109.9 no
H102 . C10 . H103 . 108.7 no
C9 . C10 . H101 . 109.7 no
H102 . C10 . H101 . 109.3 no
H103 . C10 . H101 . 109.2 no
C9 . C11 . H111 . 109.4 no
C9 . C11 . H112 . 109.6 no
H111 . C11 . H112 . 109.9 no
C9 . C11 . H113 . 109.1 no
H111 . C11 . H113 . 109.8 no
H112 . C11 . H113 . 109.0 no
C9 . C12 . H121 . 109.3 no
C9 . C12 . H122 . 109.9 no
H121 . C12 . H122 . 108.8 no
C9 . C12 . H123 . 110.0 no
H121 . C12 . H123 . 109.3 no
H122 . C12 . H123 . 109.5 no
C14 . C13 . C15 . 110.4(4) yes
C14 . C13 . C16 . 110.5(4) yes
C15 . C13 . C16 . 110.7(4) yes
C14 . C13 . O3 . 110.9(3) yes
C15 . C13 . O3 . 105.5(4) yes
C16 . C13 . O3 . 108.8(4) yes
C13 . C14 . H141 . 109.0 no
C13 . C14 . H142 . 110.1 no
H141 . C14 . H142 . 109.4 no
C13 . C14 . H143 . 110.3 no
H141 . C14 . H143 . 108.9 no
H142 . C14 . H143 . 109.2 no
C13 . C15 . H151 . 109.6 no
C13 . C15 . H152 . 109.5 no
H151 . C15 . H152 . 108.3 no
C13 . C15 . H153 . 110.6 no
H151 . C15 . H153 . 109.8 no
H152 . C15 . H153 . 109.0 no
C13 . C16 . H162 . 109.0 no
C13 . C16 . H161 . 109.6 no
H162 . C16 . H161 . 109.2 no
C13 . C16 . H163 . 110.0 no
H162 . C16 . H163 . 109.6 no
H161 . C16 . H163 . 109.4 no
C18 . C17 . C19 . 110.5(4) yes
C18 . C17 . C20 . 111.0(4) yes
C19 . C17 . C20 . 110.7(4) yes
C18 . C17 . O4 . 108.1(3) yes
C19 . C17 . O4 . 105.1(4) yes
C20 . C17 . O4 . 111.3(3) yes
C17 . C18 . H183 . 109.6 no
C17 . C18 . H181 . 109.8 no
H183 . C18 . H181 . 109.0 no
C17 . C18 . H182 . 109.7 no
H183 . C18 . H182 . 109.1 no
H181 . C18 . H182 . 109.5 no
C17 . C19 . H193 . 109.4 no
C17 . C19 . H192 . 110.4 no
H193 . C19 . H192 . 109.1 no
C17 . C19 . H191 . 109.8 no
H193 . C19 . H191 . 109.1 no
H192 . C19 . H191 . 109.0 no
C17 . C20 . H203 . 108.9 no
C17 . C20 . H201 . 109.8 no
H203 . C20 . H201 . 109.4 no
C17 . C20 . H202 . 110.3 no
H203 . C20 . H202 . 109.0 no
H201 . C20 . H202 . 109.3 no
Si2 . C21 . H212 . 109.9 no
Si2 . C21 . H211 . 109.7 no
H212 . C21 . H211 . 109.2 no
Si2 . C21 . H213 . 110.8 no
H212 . C21 . H213 . 108.4 no
H211 . C21 . H213 . 109.0 no
Si2 . C22 . H222 . 110.1 no
Si2 . C22 . H223 . 110.6 no
H222 . C22 . H223 . 108.9 no
Si2 . C22 . H221 . 109.2 no
H222 . C22 . H221 . 108.9 no
H223 . C22 . H221 . 109.1 no
Si2 . C23 . H231 . 109.8 no
Si2 . C23 . H233 . 109.9 no
H231 . C23 . H233 . 108.9 no
Si2 . C23 . H232 . 109.8 no
H231 . C23 . H232 . 109.4 no
H233 . C23 . H232 . 109.0 no
Si3 . C24 . H242 . 109.7 no
Si3 . C24 . H241 . 109.3 no
H242 . C24 . H241 . 109.1 no
Si3 . C24 . H243 . 109.5 no
H242 . C24 . H243 . 109.7 no
H241 . C24 . H243 . 109.5 no
Si3 . C25 . H253 . 110.0 no
Si3 . C25 . H251 . 110.9 no
H253 . C25 . H251 . 109.7 no
Si3 . C25 . H252 . 109.2 no
H253 . C25 . H252 . 108.5 no
H251 . C25 . H252 . 108.5 no
Si3 . C26 . H261 . 109.6 no
Si3 . C26 . H263 . 109.4 no
H261 . C26 . H263 . 109.4 no
Si3 . C26 . H262 . 110.4 no
H261 . C26 . H262 . 109.2 no
H263 . C26 . H262 . 108.9 no
C5 . Pt1 . C6 . 36.96(15) yes
C5 . Pt1 . C1 . 88.93(15) yes
C6 . Pt1 . C1 . 81.84(16) yes
C5 . Pt1 . C2 . 81.16(15) yes
C6 . Pt1 . C2 . 97.52(16) yes
C1 . Pt1 . C2 . 38.09(16) yes
C5 . Pt1 . O1 . 95.91(13) yes
C6 . Pt1 . O1 . 90.95(14) yes
C1 . Pt1 . O1 . 160.91(14) yes
C2 . Pt1 . O1 . 160.98(15) yes
C5 . Pt1 . N1 . 164.60(14) yes
C6 . Pt1 . N1 . 158.43(15) yes
C1 . Pt1 . N1 . 94.02(14) yes
C2 . Pt1 . N1 . 91.86(15) yes
O1 . Pt1 . N1 . 86.21(12) yes
Pt1 . O1 . Si1 . 134.58(17) yes
O1 . Si1 . O4 . 107.13(15) yes
O1 . Si1 . O2 . 110.87(15) yes
O4 . Si1 . O2 . 112.94(15) yes
O1 . Si1 . O3 . 115.15(16) yes
O4 . Si1 . O3 . 104.99(15) yes
O2 . Si1 . O3 . 105.78(15) yes
C17 . O4 . Si1 . 132.1(3) yes
C9 . O2 . Si1 . 131.6(3) yes
C13 . O3 . Si1 . 131.2(3) yes
C23 . Si2 . C22 . 105.1(2) yes
C23 . Si2 . C21 . 105.6(2) yes
C22 . Si2 . C21 . 108.8(2) yes
C23 . Si2 . N1 . 114.6(2) yes
C22 . Si2 . N1 . 111.66(19) yes
C21 . Si2 . N1 . 110.64(19) yes
C26 . Si3 . C24 . 104.9(2) yes
C26 . Si3 . C25 . 107.1(2) yes
C24 . Si3 . C25 . 107.2(2) yes
C26 . Si3 . N1 . 113.0(2) yes
C24 . Si3 . N1 . 112.26(19) yes
C25 . Si3 . N1 . 111.84(19) yes
Pt1 . N1 . Si3 . 114.15(17) yes
Pt1 . N1 . Si2 . 117.48(17) yes
Si3 . N1 . Si2 . 128.37(19) yes
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_site_symmetry_D
_geom_hbond_atom_site_label_H
_geom_hbond_site_symmetry_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_angle_DHA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_publ_flag
C16 . H163 . O2 . 125.00 0.958 2.568 3.219(7) yes
C6 . H61 . O3 . 136.00 0.982 2.551 3.325(7) yes
C12 . H123 . O1 . 126.00 0.957 2.590 3.247(7) yes
_iucr_refine_instruction_details_constraints
;
#
# Punched on 11/01/12 at 10:55:35
#
#LIST 12
BLOCK SCALE X'S, U'S
CONT EXTPARAM
RIDE C ( 1,X'S) H ( 11,X'S)
RIDE C ( 2,X'S) H ( 21,X'S)
RIDE C ( 3,X'S) H ( 32,X'S) H ( 31,X'S)
RIDE C ( 4,X'S) H ( 42,X'S) H ( 41,X'S)
RIDE C ( 5,X'S) H ( 51,X'S)
RIDE C ( 6,X'S) H ( 61,X'S)
RIDE C ( 7,X'S) H ( 72,X'S) H ( 71,X'S)
RIDE C ( 8,X'S) H ( 82,X'S) H ( 81,X'S)
RIDE C ( 10,X'S) H ( 102,X'S) H ( 103,X'S) H ( 101,X'S)
RIDE C ( 11,X'S) H ( 111,X'S) H ( 112,X'S) H ( 113,X'S)
RIDE C ( 12,X'S) H ( 121,X'S) H ( 122,X'S) H ( 123,X'S)
RIDE C ( 14,X'S) H ( 141,X'S) H ( 142,X'S) H ( 143,X'S)
RIDE C ( 15,X'S) H ( 151,X'S) H ( 152,X'S) H ( 153,X'S)
RIDE C ( 16,X'S) H ( 162,X'S) H ( 161,X'S) H ( 163,X'S)
RIDE C ( 18,X'S) H ( 183,X'S) H ( 181,X'S) H ( 182,X'S)
RIDE C ( 19,X'S) H ( 193,X'S) H ( 192,X'S) H ( 191,X'S)
RIDE C ( 20,X'S) H ( 203,X'S) H ( 201,X'S) H ( 202,X'S)
RIDE C ( 21,X'S) H ( 212,X'S) H ( 211,X'S) H ( 213,X'S)
RIDE C ( 22,X'S) H ( 222,X'S) H ( 223,X'S) H ( 221,X'S)
RIDE C ( 23,X'S) H ( 231,X'S) H ( 233,X'S) H ( 232,X'S)
RIDE C ( 24,X'S) H ( 242,X'S) H ( 241,X'S) H ( 243,X'S)
RIDE C ( 25,X'S) H ( 253,X'S) H ( 251,X'S) H ( 252,X'S)
RIDE C ( 26,X'S) H ( 261,X'S) H ( 263,X'S) H ( 262,X'S)
END
;
_iucr_refine_instruction_details_restraints
;
#
# Punched on 11/01/12 at 10:55:35
#
#LIST 16
NO
REM HREST START (DO NOT REMOVE THIS LINE)
REM HREST END (DO NOT REMOVE THIS LINE)
END
;