# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2006


data_global
#==============================================================================
_journal_coden_Cambridge         182
# 0. AUDIT DETAILS

_audit_creation_date             'Aug 30 11:51:23 2005'
_audit_creation_method           'XD (Koritsanszky et al, 1995)'
_audit_update_record             
; ?
;

#===============================================================================

# 1. SUBMISSION DETAILS

_publ_contact_author_name        'Prof Sean McGrady'

_publ_contact_author_address     # address of author for correspondence
;
Department of Chemistry
University of New Brunswick
Fredericton, N.B.
E3B 6E2
CANADA
;
_publ_contact_author_email       SMCGRADY@UNB.CA
_publ_requested_journal          'Chem. Commun.'

# Publication choise FI, CI or EI for Inorganic
# FM, CM or EM for Metal-organic
# FO, CO or EO for Organic
_publ_requested_category         ?
_publ_requested_coeditor_name    ?

_publ_contact_letter             # Include date of submission
;
Date of submission ?

Please consider this CIF submission for publication as a
Regular Structural Paper in Acta Crystallographica C.
;

#===============================================================================

# 2. PROCESSING SUMMARY (JOURNAL OFFICE ONLY)

_journal_coden_ASTM              ?
_journal_name_full               ?
_journal_year                    ?
_journal_volume                  ?
_journal_issue                   ?
_journal_page_first              ?
_journal_page_last               ?

#===============================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title              
;
Elucidation of the bonding in Mn(\h^2^-SiH) complexes
by charge density analysis and T~1~ NMR Measurements:
asymmetric oxidative addition and anomeric effects at silicon
;
_publ_section_title_footnote     
; ?
;

# The loop structure below should contain the names and adresses of all
# authors, in the required order of publication. Repeat as necessary.

loop_
_publ_author_name
_publ_author_address
'Scherer, W.'
;
Chemische Physik und Materialwissenschaften
Universit\"at Augsburg
D-86159 Augsburg (Germany)
;
'Eickerling, G.'
;
Chemische Physik und Materialwissenschaften
Universit\"at Augsburg
D-86159 Augsburg (Germany)
;
'Maxim Tafipolsky'
;
Chemische Physik und Materialwissenschaften
Universit\"at Augsburg
D-86159 Augsburg (Germany)
;
'McGrady, G. S.'
;
Department of Chemistry
University of New Brunswick
Fredericton, N.B.
E3B 6E2 (Canada)
;
'Sirsch, P.'
;
Department of Chemistry
University of New Brunswick
Fredericton, N.B.
E3B 6E2 (Canada)
;
'Chatterton, N. P.'
;
Department of Chemistry
King's College London,
Strand
London
WC2R 2LS (U.K.)
;

#===============================================================================

# 4. TEXT

_publ_section_synopsis           
;
?
;
_publ_section_abstract           
;
?
;

# Insert blank lines between paragraphs

_publ_section_comment            
; ?
;
_publ_section_exptl_prep         
;
?
;
_publ_section_exptl_refinement   
;
?
;

# Insert blank lines between references

_publ_section_references         
;
Blessing, R.H. (1995), Acta Cryst. A51, 33-37.

COLLECT. Data Collection Software. Nonius BV, 1998.

Koritsanszky, T., Howard, S.T., Richter, T., Mallinson, P.R., Su, Z.,
and Hansen, N.K. (1995). XD - a computer program package for multipole
refinement and analysis of charge densities from diffraction data.

Otwinowski, Z., Minor, W., Processing of X-ray Diffraction Data Collected
in Oscillation Mode, Methods in Enzymology, Volume 276: Macromolecular
Crystallography, part A, p. 307-326, 1997, Carter, C.W., Jr.,
Sweet, R.M., Eds., Academic Press.

Sheldrick, G.M. SHELXL97. Program for crystal structure
refinement. University of G\"ottingen, Germany, 1997.

Spek, A.L. (1990). Acta Cryst. A46, C-34.

Wilson, A.J.C. (1992) Ed. International Tables for Crystallography,
Volume C, Kluwer Academic Publishers, Dordrecht, The Netherlands.
;

#===============================================================================

data_scha # compound 2
_database_code_depnum_ccdc_archive 'CCDC 604522'

#===============================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H18 F Mn O2 Si'
# Ex: 'C12 H16 N2 O6, H2 O' and '(Cd 2+)3, (C6 N6 Cr 3-)2, 2(H2 O)'
_chemical_formula_structural     ?
_chemical_formula_sum            'C20 H18 F Mn O2 Si'
_chemical_formula_iupac          ?
_chemical_formula_weight         392.37
_chemical_compound_source        'see text'

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mn Mn 0.3368 0.7283
;
For all non-hydrogen atoms both the core and the valence scattering function
were calculated from Hartree-Fock atomic wavefunctions. The deformation density
was described by a multipole model in terms of spherical harmonics multiplied
by Slater-type radial functions with energy-optimised exponents.
E. Clementi, C. Roetti, At. Data Nucl. Data Tables, 1974, 14, 129
;
Si Si 0.0817 0.0704
;
For all non-hydrogen atoms both the core and the valence scattering function
were calculated from Hartree-Fock atomic wavefunctions. The deformation density
was described by a multipole model in terms of spherical harmonics multiplied
by Slater-type radial functions with energy-optimised exponents.
E. Clementi, C. Roetti, At. Data Nucl. Data Tables, 1974, 14, 129
;
F F 0.0171 0.0103
;
For all non-hydrogen atoms both the core and the valence scattering function
were calculated from Hartree-Fock atomic wavefunctions. The deformation density
was described by a multipole model in terms of spherical harmonics multiplied
by Slater-type radial functions with energy-optimised exponents.
E. Clementi, C. Roetti, At. Data Nucl. Data Tables, 1974, 14, 129
;
O O 0.0106 0.0060
;
For all non-hydrogen atoms both the core and the valence scattering function
were calculated from Hartree-Fock atomic wavefunctions. The deformation density
was described by a multipole model in terms of spherical harmonics multiplied
by Slater-type radial functions with energy-optimised exponents.
E. Clementi, C. Roetti, At. Data Nucl. Data Tables, 1974, 14, 129
;
H H 0.0000 0.0000 'Stewart et al., J. Chem. Phys. 1965, 42, 3175'
C C 0.0033 0.0016
;
For all non-hydrogen atoms both the core and the valence scattering function
were calculated from Hartree-Fock atomic wavefunctions. The deformation density
was described by a multipole model in terms of spherical harmonics multiplied
by Slater-type radial functions with energy-optimised exponents.
E. Clementi, C. Roetti, At. Data Nucl. Data Tables, 1974, 14, 129
;

#===============================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_Int_Tables_number      14

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z

_cell_length_a                   16.226(8)
_cell_length_b                   7.032(3)
_cell_length_c                   20.203(14)
_cell_angle_alpha                90
_cell_angle_beta                 128.55(3)
_cell_angle_gamma                90
_cell_volume                     1802.8(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    120
_cell_measurement_reflns_used    58586
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?
_cell_special_details            
; ?
;

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow

_exptl_crystal_size_max          0.68
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.23
_exptl_crystal_size_rad          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.446(2)
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             808
_exptl_absorpt_coefficient_mu    0.818
_exptl_crystal_density_meas_temp ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   
;
Absorption correction was performed using SORTAV
(R.H. Blessing 1995)
;
_exptl_absorpt_correction_T_min  0.767
_exptl_absorpt_correction_T_max  0.838

#===============================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           
; ?
;
_diffrn_ambient_temperature      120
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoKa
_diffrn_radiation_source         'NONIUS FR 591 rotating anode'
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Kappa CCD (Nonius)'
_diffrn_measurement_method       'phi- and omega-rotation'
_diffrn_detector_area_resol_mean 18 # 9 for binned mode

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?

loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

# number of measured reflections (redundant set)
_diffrn_reflns_number            177684
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_sigmaI/netI    0.0195
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_theta_min         3.17
_diffrn_reflns_theta_max         52.02
_diffrn_reflns_theta_full        52.02
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_reduction_process 
; ?
;

# number of unique reflections
_reflns_number_total             19436
# number of observed reflections (> n sig(I))
_reflns_number_gt                13961
_reflns_threshold_expression     I>3\s(I)

_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_cell_refinement       'DENZO (Z. Otwinowski and W. Minor, 1997)'
_computing_data_reduction        'DENZO (Z. Otwinowski and W. Minor, 1997)'
_computing_structure_refinement  'XD (Koritsanszky et al, 1995)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'XD (Koritsanszky et al, 1995)'

#===============================================================================

# 8. REFINEMENT DATA

_refine_special_details          
;
The hydrogen atom positions and their anisotropic thermal parameters
were fixed at the values obtained by neutron diffraction (120K); see text.
;
_refine_ls_structure_factor_coef F
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     w=1/[\s^2^/Fo)]
_refine_ls_hydrogen_treatment    noref
_refine_ls_extinction_method     none
_refine_ls_number_reflns         13961
_refine_ls_number_parameters     601
_refine_ls_number_restraints     ?
_refine_ls_number_constraints    ?
_refine_ls_R_factor_all          0.0207
_refine_ls_R_factor_gt           0.0401
_refine_ls_wR_factor_ref         0.0599
_refine_ls_R_Fsqd_factor         0.0227
_refine_ls_goodness_of_fit_ref   0.9643
_refine_ls_restrained_S_all      0.9643
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.30 # sin(theta)/lambda <= 0.8
_refine_diff_density_min         -0.24 # sin(theta)/lambda <= 0.8

#===============================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
MN 0.137680(7) 0.030288(13) 0.459794(5) 1.0000 0.017
SI 0.23685(1) 0.23507(2) 0.44175(1) 1.0000 0.018
F 0.16019(5) 0.41101(9) 0.38276(4) 1.0000 0.025
O(1) 0.25562(9) -0.14710(22) 0.62799(6) 1.0000 0.044
O(2) 0.12500(8) 0.38342(12) 0.53005(5) 1.0000 0.037
C(1) 0.20949(5) -0.07871(10) 0.56230(4) 1.0000 0.027
C(2) 0.13308(4) 0.24600(8) 0.50298(3) 1.0000 0.024
C(3) -0.01635(4) -0.07964(10) 0.39810(4) 1.0000 0.027
C(4) 0.04863(6) -0.22622(9) 0.40344(4) 1.0000 0.030
C(5) 0.08492(5) -0.16488(8) 0.35894(4) 1.0000 0.027
C(6) 0.04216(4) 0.01942(8) 0.32559(3) 1.0000 0.022
C(7) -0.02150(4) 0.07233(8) 0.34904(3) 1.0000 0.022
C(8) -0.08608(5) 0.24937(11) 0.32250(4) 1.0000 0.034
C(9) 0.27609(3) 0.13628(7) 0.37898(3) 1.0000 0.020
C(10) 0.34974(4) -0.01190(8) 0.41222(4) 1.0000 0.027
C(11) 0.38066(5) -0.08859(10) 0.36713(5) 1.0000 0.034
C(12) 0.33704(6) -0.01845(11) 0.28695(5) 1.0000 0.034
C(13) 0.26360(5) 0.12815(11) 0.25286(4) 1.0000 0.031
C(14) 0.23396(4) 0.20527(9) 0.29877(3) 1.0000 0.025
C(15) 0.35310(4) 0.35461(7) 0.53821(3) 1.0000 0.022
C(16) 0.40224(5) 0.50271(8) 0.52789(4) 1.0000 0.029
C(17) 0.49076(6) 0.59438(9) 0.59742(5) 1.0000 0.033
C(18) 0.53173(5) 0.53914(10) 0.67878(4) 1.0000 0.031
C(19) 0.48441(5) 0.39274(11) 0.69054(4) 1.0000 0.030
C(20) 0.39600(4) 0.30165(9) 0.62065(3) 1.0000 0.027
H(1) 0.25190 0.00570 0.48840 1.0000 0.038
H(3) -0.05630 -0.08220 0.42580 1.0000 0.048
H(4) 0.06820 -0.35940 0.43750 1.0000 0.054
H(5) 0.13800 -0.24270 0.35370 1.0000 0.049
H(6) 0.05170 0.10330 0.28560 1.0000 0.038
H(81) -0.09750 0.29320 0.36800 1.0000 0.065
H(82) -0.05070 0.36690 0.31420 1.0000 0.060
H(83) -0.16430 0.22810 0.26250 1.0000 0.057
H(10) 0.38400 -0.07050 0.47450 1.0000 0.048
H(11) 0.43850 -0.20290 0.39400 1.0000 0.061
H(12) 0.36060 -0.07830 0.25120 1.0000 0.057
H(13) 0.22900 0.18200 0.19010 1.0000 0.055
H(14) 0.17670 0.32170 0.27140 1.0000 0.044
H(16) 0.37180 0.54530 0.46460 1.0000 0.049
H(17) 0.52920 0.70870 0.58910 1.0000 0.059
H(18) 0.60150 0.60950 0.73290 1.0000 0.048
H(19) 0.51640 0.34770 0.75370 1.0000 0.051
H(20) 0.35990 0.18540 0.63090 1.0000 0.049

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
MN 0.01396(3) 0.01477(3) 0.01256(3) -0.00058(3) 0.00718(2) 0.00133(3)
SI 0.01509(5) 0.01474(5) 0.01325(5) 0.00029(3) 0.00817(4) 0.00128(3)
F 0.0219(2) 0.0181(2) 0.0216(2) 0.0041(2) 0.0129(2) 0.0054(2)
O(1) 0.0330(4) 0.0514(5) 0.0215(3) -0.0010(4) 0.0095(3) 0.0173(3)
O(2) 0.0398(4) 0.0235(3) 0.0280(3) 0.0013(2) 0.0243(3) -0.0034(2)
C(1) 0.0207(2) 0.0285(2) 0.0162(2) -0.0014(2) 0.0082(2) 0.0070(2)
C(2) 0.0222(2) 0.0195(2) 0.0169(2) -0.0008(1) 0.0126(1) -0.0010(1)
C(3) 0.0196(2) 0.0282(2) 0.0204(2) -0.0066(2) 0.0114(2) 0.0000(2)
C(4) 0.0285(2) 0.0176(2) 0.0228(2) -0.0051(2) 0.0114(2) 0.0001(1)
C(5) 0.0250(2) 0.0197(2) 0.0201(2) 0.0013(1) 0.0115(2) -0.0028(1)
C(6) 0.0179(1) 0.0216(2) 0.0143(1) 0.0003(1) 0.0086(1) 0.0003(1)
C(7) 0.0150(1) 0.0235(2) 0.0167(1) 0.0002(1) 0.0082(1) 0.0011(1)
C(8) 0.0219(2) 0.0343(3) 0.0269(2) 0.0097(2) 0.0131(2) 0.0058(2)
C(9) 0.0160(1) 0.0186(1) 0.0145(1) 0.0005(1) 0.0090(1) 0.0009(1)
C(10) 0.0220(2) 0.0226(2) 0.0220(2) 0.0050(1) 0.0142(2) 0.0030(1)
C(11) 0.0264(2) 0.0267(2) 0.0316(3) 0.0023(2) 0.0206(2) -0.0025(2)
C(12) 0.0272(2) 0.0332(3) 0.0277(2) -0.0074(2) 0.0203(2) -0.0105(2)
C(13) 0.0252(2) 0.0379(3) 0.0173(2) -0.0048(2) 0.0139(2) -0.0035(2)
C(14) 0.0201(2) 0.0288(2) 0.0149(1) 0.0014(2) 0.0101(1) 0.0027(1)
C(15) 0.0183(1) 0.0189(1) 0.0161(1) -0.0036(1) 0.0103(1) -0.0014(1)
C(16) 0.0266(2) 0.0232(2) 0.0202(2) -0.0083(2) 0.0127(2) -0.0002(1)
C(17) 0.0292(2) 0.0258(2) 0.0248(2) -0.0122(2) 0.0142(2) -0.0035(2)
C(18) 0.0246(2) 0.0291(2) 0.0213(2) -0.0101(2) 0.0121(2) -0.0073(2)
C(19) 0.0237(2) 0.0354(3) 0.0166(2) -0.0095(2) 0.0110(2) -0.0044(2)
C(20) 0.0213(2) 0.0294(2) 0.0160(2) -0.0079(2) 0.0105(1) -0.0015(1)
H(1) 0.0211 0.0342 0.0377 0.0041 0.0166 0.0066
H(3) 0.0333 0.0595 0.0339 -0.0116 0.0236 0.0005
H(4) 0.0597 0.0208 0.0438 -0.0009 0.0272 0.0128
H(5) 0.0438 0.0379 0.0385 0.0092 0.0247 -0.0054
H(6) 0.0348 0.0378 0.0237 -0.0006 0.0187 0.0033
H(81) 0.0610 0.0546 0.0515 0.0236 0.0428 0.0104
H(82) 0.0511 0.0389 0.0599 0.0130 0.0392 0.0169
H(83) 0.0249 0.0604 0.0462 0.0133 0.0060 0.0023
H(10) 0.0443 0.0422 0.0356 0.0178 0.0275 0.0153
H(11) 0.0495 0.0448 0.0609 0.0163 0.0407 0.0063
H(12) 0.0534 0.0503 0.0453 -0.0023 0.0402 -0.0155
H(13) 0.0520 0.0653 0.0251 0.0051 0.0251 0.0073
H(14) 0.0379 0.0437 0.0288 0.0165 0.0192 0.0105
H(16) 0.0483 0.0469 0.0216 -0.0175 0.0151 0.0057
H(17) 0.0519 0.0482 0.0408 -0.0272 0.0218 0.0008
H(18) 0.0370 0.0450 0.0329 -0.0185 0.0146 -0.0111
H(19) 0.0461 0.0639 0.0194 -0.0163 0.0170 -0.0017
H(20) 0.0435 0.0509 0.0264 -0.0240 0.0171 0.0008

#===============================================================================

# 10. MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
MN SI 2.35089(15) 1_555 1_555 yes
MN C(1) 1.7962(5) 1_555 1_555 yes
MN C(2) 1.7745(5) 1_555 1_555 yes
MN C(3) 2.1248(5) 1_555 1_555 yes
MN C(4) 2.1418(5) 1_555 1_555 yes
MN C(5) 2.1434(5) 1_555 1_555 yes
MN C(6) 2.1264(4) 1_555 1_555 yes
MN C(7) 2.1359(5) 1_555 1_555 yes
MN H(1) 1.56963 1_555 1_555 yes
SI F 1.6280(6) 1_555 1_555 yes
SI C(9) 1.8716(5) 1_555 1_555 yes
SI C(15) 1.8657(5) 1_555 1_555 yes
SI H(1) 1.80626 1_555 1_555 yes
F H(5) 2.4780 1_555 1_565 yes
O(1) C(1) 1.1466(10) 1_555 1_555 yes
O(2) C(2) 1.1575(9) 1_555 1_555 yes
C(3) C(4) 1.4297(11) 1_555 1_555 yes
C(3) C(7) 1.4241(8) 1_555 1_555 yes
C(3) H(3) 1.0890 1_555 1_555 yes
C(4) C(5) 1.4146(11) 1_555 1_555 yes
C(4) H(4) 1.0858 1_555 1_555 yes
C(5) C(6) 1.4256(8) 1_555 1_555 yes
C(5) H(5) 1.0798 1_555 1_555 yes
C(6) C(7) 1.4283(8) 1_555 1_555 yes
C(6) H(6) 1.0865 1_555 1_555 yes
C(7) C(8) 1.4950(9) 1_555 1_555 yes
C(8) H(81) 1.0894 1_555 1_555 yes
C(8) H(82) 1.0773 1_555 1_555 yes
C(8) H(83) 1.0886 1_555 1_555 yes
C(9) C(10) 1.4016(7) 1_555 1_555 yes
C(9) C(14) 1.3957(7) 1_555 1_555 yes
C(10) C(11) 1.3937(9) 1_555 1_555 yes
C(10) H(10) 1.0909 1_555 1_555 yes
C(11) C(12) 1.3924(11) 1_555 1_555 yes
C(11) H(11) 1.0893 1_555 1_555 yes
C(12) C(13) 1.3907(12) 1_555 1_555 yes
C(12) H(12) 1.0905 1_555 1_555 yes
C(13) C(14) 1.3934(9) 1_555 1_555 yes
C(13) H(13) 1.0858 1_555 1_555 yes
C(14) H(14) 1.0950 1_555 1_555 yes
C(15) C(16) 1.4040(7) 1_555 1_555 yes
C(15) C(20) 1.3973(7) 1_555 1_555 yes
C(16) C(17) 1.3917(9) 1_555 1_555 yes
C(16) H(16) 1.0870 1_555 1_555 yes
C(17) C(18) 1.3903(10) 1_555 1_555 yes
C(17) H(17) 1.0928 1_555 1_555 yes
C(18) C(19) 1.3903(9) 1_555 1_555 yes
C(18) H(18) 1.0858 1_555 1_555 yes
C(19) C(20) 1.3918(8) 1_555 1_555 yes
C(19) H(19) 1.0829 1_555 1_555 yes
C(20) H(20) 1.0979 1_555 1_555 yes
H(81) H(82) 1.747969 1_555 1_555 yes
H(81) H(83) 1.745813 1_555 1_555 yes
H(82) H(83) 1.744020 1_555 1_555 yes

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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
SI MN C(1) 115.17(2) 1_555 1_555 1_555 yes
SI MN C(2) 78.178(17) 1_555 1_555 1_555 yes
SI MN C(3) 143.169(19) 1_555 1_555 1_555 yes
SI MN C(4) 137.19(2) 1_555 1_555 1_555 yes
SI MN C(5) 98.70(2) 1_555 1_555 1_555 yes
SI MN C(6) 81.358(15) 1_555 1_555 1_555 yes
SI MN C(7) 104.506(16) 1_555 1_555 1_555 yes
SI MN H(1) 50.161 1_555 1_555 1_555 yes
C(1) MN C(2) 89.64(3) 1_555 1_555 1_555 yes
C(1) MN C(3) 101.64(3) 1_555 1_555 1_555 yes
C(1) MN C(4) 89.51(3) 1_555 1_555 1_555 yes
C(1) MN C(5) 114.24(3) 1_555 1_555 1_555 yes
C(1) MN C(6) 152.67(3) 1_555 1_555 1_555 yes
C(1) MN C(7) 139.37(3) 1_555 1_555 1_555 yes
C(1) MN H(1) 76.10 1_555 1_555 1_555 yes
C(2) MN C(3) 101.83(3) 1_555 1_555 1_555 yes
C(2) MN C(4) 139.48(3) 1_555 1_555 1_555 yes
C(2) MN C(5) 154.22(2) 1_555 1_555 1_555 yes
C(2) MN C(6) 115.92(2) 1_555 1_555 1_555 yes
C(2) MN C(7) 90.16(2) 1_555 1_555 1_555 yes
C(2) MN H(1) 108.354 1_555 1_555 1_555 yes
C(3) MN C(4) 39.16(3) 1_555 1_555 1_555 yes
C(3) MN C(5) 65.32(3) 1_555 1_555 1_555 yes
C(3) MN C(6) 65.34(2) 1_555 1_555 1_555 yes
C(3) MN C(7) 39.05(2) 1_555 1_555 1_555 yes
C(3) MN H(1) 149.68 1_555 1_555 1_555 yes
C(4) MN C(5) 38.55(3) 1_555 1_555 1_555 yes
C(4) MN C(6) 65.02(2) 1_555 1_555 1_555 yes
C(4) MN C(7) 65.48(2) 1_555 1_555 1_555 yes
C(4) MN H(1) 110.70 1_555 1_555 1_555 yes
C(5) MN C(6) 39.01(2) 1_555 1_555 1_555 yes
C(5) MN C(7) 65.60(2) 1_555 1_555 1_555 yes
C(5) MN H(1) 87.701 1_555 1_555 1_555 yes
C(6) MN C(7) 39.16(2) 1_555 1_555 1_555 yes
C(6) MN H(1) 102.747 1_555 1_555 1_555 yes
C(7) MN H(1) 141.306 1_555 1_555 1_555 yes
MN SI F 107.13(3) 1_555 1_555 1_555 yes
MN SI C(9) 115.623(15) 1_555 1_555 1_555 yes
MN SI C(15) 117.272(17) 1_555 1_555 1_555 yes
MN SI H(1) 41.856 1_555 1_555 1_555 yes
F SI C(9) 102.32(3) 1_555 1_555 1_555 yes
F SI C(15) 103.66(3) 1_555 1_555 1_555 yes
F SI H(1) 148.62 1_555 1_555 1_555 yes
C(9) SI C(15) 109.00(2) 1_555 1_555 1_555 yes
C(9) SI H(1) 91.694 1_555 1_555 1_555 yes
C(15) SI H(1) 97.897 1_555 1_555 1_555 yes
SI F H(5) 148.44 1_555 1_555 1_565 yes
C(2) O(2) H(4) 111.84 1_555 1_555 1_565 yes
MN C(1) O(1) 179.53(14) 1_555 1_555 1_555 yes
MN C(1) H(1) 47.035 1_555 1_555 1_555 yes
O(1) C(1) H(1) 132.87 1_555 1_555 1_555 yes
MN C(2) O(2) 176.31(7) 1_555 1_555 1_555 yes
MN C(3) C(4) 71.06(3) 1_555 1_555 1_555 yes
MN C(3) C(5) 57.73(2) 1_555 1_555 1_555 yes
MN C(3) C(6) 57.364(19) 1_555 1_555 1_555 yes
MN C(3) C(7) 70.90(3) 1_555 1_555 1_555 yes
MN C(3) H(3) 124.32 1_555 1_555 1_555 yes
MN C(3) H(4) 82.83 1_555 1_555 1_555 yes
C(4) C(3) C(5) 35.70(4) 1_555 1_555 1_555 yes
C(4) C(3) C(6) 71.82(4) 1_555 1_555 1_555 yes
C(4) C(3) C(7) 108.32(6) 1_555 1_555 1_555 yes
C(4) C(3) H(3) 126.62 1_555 1_555 1_555 yes
C(4) C(3) H(4) 23.24 1_555 1_555 1_555 yes
C(5) C(3) C(6) 36.12(2) 1_555 1_555 1_555 yes
C(5) C(3) C(7) 72.62(4) 1_555 1_555 1_555 yes
C(5) C(3) H(3) 162.32 1_555 1_555 1_555 yes
C(5) C(3) H(4) 58.93 1_555 1_555 1_555 yes
C(6) C(3) C(7) 36.50(3) 1_555 1_555 1_555 yes
C(6) C(3) H(3) 161.56 1_555 1_555 1_555 yes
C(6) C(3) H(4) 95.05 1_555 1_555 1_555 yes
C(7) C(3) H(3) 125.06 1_555 1_555 1_555 yes
C(7) C(3) H(4) 131.55 1_555 1_555 1_555 yes
H(3) C(3) H(4) 103.39 1_555 1_555 1_555 yes
MN C(4) C(3) 69.78(3) 1_555 1_555 1_555 yes
MN C(4) C(5) 70.79(3) 1_555 1_555 1_555 yes
MN C(4) C(6) 57.164(19) 1_555 1_555 1_555 yes
MN C(4) C(7) 57.139(19) 1_555 1_555 1_555 yes
MN C(4) H(3) 81.88 1_555 1_555 1_555 yes
MN C(4) H(4) 123.75 1_555 1_555 1_555 yes
MN C(4) H(5) 82.54 1_555 1_555 1_555 yes
C(3) C(4) C(5) 108.16(5) 1_555 1_555 1_555 yes
C(3) C(4) C(6) 71.87(4) 1_555 1_555 1_555 yes
C(3) C(4) C(7) 35.76(3) 1_555 1_555 1_555 yes
C(3) C(4) H(3) 22.80 1_555 1_555 1_555 yes
C(3) C(4) H(4) 125.47 1_555 1_555 1_555 yes
C(3) C(4) H(5) 131.42 1_555 1_555 1_555 yes
C(5) C(4) C(6) 36.29(3) 1_555 1_555 1_555 yes
C(5) C(4) C(7) 72.41(4) 1_555 1_555 1_555 yes
C(5) C(4) H(3) 130.96 1_555 1_555 1_555 yes
C(5) C(4) H(4) 126.35 1_555 1_555 1_555 yes
C(5) C(4) H(5) 23.28 1_555 1_555 1_555 yes
C(6) C(4) C(7) 36.12(2) 1_555 1_555 1_555 yes
C(6) C(4) H(3) 94.67 1_555 1_555 1_555 yes
C(6) C(4) H(4) 162.61 1_555 1_555 1_555 yes
C(6) C(4) H(5) 59.56 1_555 1_555 1_555 yes
C(7) C(4) H(3) 58.56 1_555 1_555 1_555 yes
C(7) C(4) H(4) 161.22 1_555 1_555 1_555 yes
C(7) C(4) H(5) 95.68 1_555 1_555 1_555 yes
H(3) C(4) H(4) 102.68 1_555 1_555 1_555 yes
H(3) C(4) H(5) 154.21 1_555 1_555 1_555 yes
H(4) C(4) H(5) 103.06 1_555 1_555 1_555 yes
MN C(5) C(3) 56.95(2) 1_555 1_555 1_555 yes
MN C(5) C(4) 70.66(3) 1_555 1_555 1_555 yes
MN C(5) C(6) 69.85(3) 1_555 1_555 1_555 yes
MN C(5) C(7) 57.041(19) 1_555 1_555 1_555 yes
MN C(5) H(4) 82.54 1_555 1_555 1_555 yes
MN C(5) H(5) 123.18 1_555 1_555 1_555 yes
MN C(5) H(6) 83.05 1_555 1_555 1_555 yes
C(3) C(5) C(4) 36.14(4) 1_555 1_555 1_555 yes
C(3) C(5) C(6) 71.60(4) 1_555 1_555 1_555 yes
C(3) C(5) C(7) 35.89(2) 1_555 1_555 1_555 yes
C(3) C(5) H(4) 59.16 1_555 1_555 1_555 yes
C(3) C(5) H(5) 161.59 1_555 1_555 1_555 yes
C(3) C(5) H(6) 94.52 1_555 1_555 1_555 yes
C(4) C(5) C(6) 107.74(6) 1_555 1_555 1_555 yes
C(4) C(5) C(7) 72.03(4) 1_555 1_555 1_555 yes
C(4) C(5) H(4) 23.02 1_555 1_555 1_555 yes
C(4) C(5) H(5) 125.53 1_555 1_555 1_555 yes
C(4) C(5) H(6) 130.64 1_555 1_555 1_555 yes
C(6) C(5) C(7) 35.72(3) 1_555 1_555 1_555 yes
C(6) C(5) H(4) 130.76 1_555 1_555 1_555 yes
C(6) C(5) H(5) 126.69 1_555 1_555 1_555 yes
C(6) C(5) H(6) 22.94 1_555 1_555 1_555 yes
C(7) C(5) H(4) 95.05 1_555 1_555 1_555 yes
C(7) C(5) H(5) 162.36 1_555 1_555 1_555 yes
C(7) C(5) H(6) 58.63 1_555 1_555 1_555 yes
H(4) C(5) H(5) 102.51 1_555 1_555 1_555 yes
H(4) C(5) H(6) 153.66 1_555 1_555 1_555 yes
H(5) C(5) H(6) 103.83 1_555 1_555 1_555 yes
MN C(6) C(3) 57.297(18) 1_555 1_555 1_555 yes
MN C(6) C(4) 57.813(19) 1_555 1_555 1_555 yes
MN C(6) C(5) 71.14(3) 1_555 1_555 1_555 yes
MN C(6) C(7) 70.78(3) 1_555 1_555 1_555 yes
MN C(6) H(5) 82.379 1_555 1_555 1_555 yes
MN C(6) H(6) 126.89 1_555 1_555 1_555 yes
C(3) C(6) C(4) 36.31(3) 1_555 1_555 1_555 yes
C(3) C(6) C(5) 72.27(4) 1_555 1_555 1_555 yes
C(3) C(6) C(7) 36.38(3) 1_555 1_555 1_555 yes
C(3) C(6) H(5) 94.95 1_555 1_555 1_555 yes
C(3) C(6) H(6) 161.23 1_555 1_555 1_555 yes
C(4) C(6) C(5) 35.97(4) 1_555 1_555 1_555 yes
C(4) C(6) C(7) 72.68(4) 1_555 1_555 1_555 yes
C(4) C(6) H(5) 58.65 1_555 1_555 1_555 yes
C(4) C(6) H(6) 162.12 1_555 1_555 1_555 yes
C(5) C(6) C(7) 108.65(5) 1_555 1_555 1_555 yes
C(5) C(6) H(5) 22.69 1_555 1_555 1_555 yes
C(5) C(6) H(6) 126.30 1_555 1_555 1_555 yes
C(7) C(6) H(5) 131.32 1_555 1_555 1_555 yes
C(7) C(6) H(6) 124.95 1_555 1_555 1_555 yes
H(5) C(6) H(6) 103.69 1_555 1_555 1_555 yes
MN C(7) C(3) 70.05(3) 1_555 1_555 1_555 yes
MN C(7) C(4) 57.384(18) 1_555 1_555 1_555 yes
MN C(7) C(5) 57.354(18) 1_555 1_555 1_555 yes
MN C(7) C(6) 70.06(2) 1_555 1_555 1_555 yes
MN C(7) C(8) 127.64(4) 1_555 1_555 1_555 yes
MN C(7) H(3) 82.491 1_555 1_555 1_555 yes
MN C(7) H(6) 83.476 1_555 1_555 1_555 yes
MN C(7) H(81) 111.41 1_555 1_555 1_555 yes
MN C(7) H(82) 110.69 1_555 1_555 1_555 yes
MN C(7) H(83) 156.04 1_555 1_555 1_555 yes
C(3) C(7) C(4) 35.92(4) 1_555 1_555 1_555 yes
C(3) C(7) C(5) 71.49(4) 1_555 1_555 1_555 yes
C(3) C(7) C(6) 107.12(5) 1_555 1_555 1_555 yes
C(3) C(7) C(8) 126.77(6) 1_555 1_555 1_555 yes
C(3) C(7) H(3) 23.50 1_555 1_555 1_555 yes
C(3) C(7) H(6) 130.56 1_555 1_555 1_555 yes
C(3) C(7) H(81) 102.04 1_555 1_555 1_555 yes
C(3) C(7) H(82) 149.18 1_555 1_555 1_555 yes
C(3) C(7) H(83) 121.13 1_555 1_555 1_555 yes
C(4) C(7) C(5) 35.57(3) 1_555 1_555 1_555 yes
C(4) C(7) C(6) 71.20(4) 1_555 1_555 1_555 yes
C(4) C(7) C(8) 162.45(5) 1_555 1_555 1_555 yes
C(4) C(7) H(3) 59.43 1_555 1_555 1_555 yes
C(4) C(7) H(6) 94.64 1_555 1_555 1_555 yes
C(4) C(7) H(81) 137.25 1_555 1_555 1_555 yes
C(4) C(7) H(82) 167.31 1_555 1_555 1_555 yes
C(4) C(7) H(83) 144.55 1_555 1_555 1_555 yes
C(5) C(7) C(6) 35.64(3) 1_555 1_555 1_555 yes
C(5) C(7) C(8) 161.44(5) 1_555 1_555 1_555 yes
C(5) C(7) H(3) 94.99 1_555 1_555 1_555 yes
C(5) C(7) H(6) 59.08 1_555 1_555 1_555 yes
C(5) C(7) H(81) 168.16 1_555 1_555 1_555 yes
C(5) C(7) H(82) 136.38 1_555 1_555 1_555 yes
C(5) C(7) H(83) 143.91 1_555 1_555 1_555 yes
C(6) C(7) C(8) 126.02(5) 1_555 1_555 1_555 yes
C(6) C(7) H(3) 130.63 1_555 1_555 1_555 yes
C(6) C(7) H(6) 23.47 1_555 1_555 1_555 yes
C(6) C(7) H(81) 148.95 1_555 1_555 1_555 yes
C(6) C(7) H(82) 101.56 1_555 1_555 1_555 yes
C(6) C(7) H(83) 120.08 1_555 1_555 1_555 yes
C(8) C(7) H(3) 103.31 1_555 1_555 1_555 yes
C(8) C(7) H(6) 102.55 1_555 1_555 1_555 yes
C(8) C(7) H(81) 27.76 1_555 1_555 1_555 yes
C(8) C(7) H(82) 27.80 1_555 1_555 1_555 yes
C(8) C(7) H(83) 28.41 1_555 1_555 1_555 yes
H(3) C(7) H(6) 154.06 1_555 1_555 1_555 yes
H(3) C(7) H(81) 78.910 1_555 1_555 1_555 yes
H(3) C(7) H(82) 126.72 1_555 1_555 1_555 yes
H(3) C(7) H(83) 101.70 1_555 1_555 1_555 yes
H(6) C(7) H(81) 126.69 1_555 1_555 1_555 yes
H(6) C(7) H(82) 78.771 1_555 1_555 1_555 yes
H(6) C(7) H(83) 99.98 1_555 1_555 1_555 yes
H(81) C(7) H(82) 47.919 1_555 1_555 1_555 yes
H(81) C(7) H(83) 47.908 1_555 1_555 1_555 yes
H(82) C(7) H(83) 48.060 1_555 1_555 1_555 yes
C(7) C(8) H(81) 112.50 1_555 1_555 1_555 yes
C(7) C(8) H(82) 111.86 1_555 1_555 1_555 yes
C(7) C(8) H(83) 110.80 1_555 1_555 1_555 yes
H(81) C(8) H(82) 107.56 1_555 1_555 1_555 yes
H(81) C(8) H(83) 106.56 1_555 1_555 1_555 yes
H(82) C(8) H(83) 107.26 1_555 1_555 1_555 yes
SI C(9) C(10) 119.99(4) 1_555 1_555 1_555 yes
SI C(9) C(11) 149.19(3) 1_555 1_555 1_555 yes
SI C(9) C(13) 151.50(3) 1_555 1_555 1_555 yes
SI C(9) C(14) 122.03(4) 1_555 1_555 1_555 yes
SI C(9) H(10) 94.19 1_555 1_555 1_555 yes
SI C(9) H(14) 95.85 1_555 1_555 1_555 yes
C(10) C(9) C(11) 29.20(3) 1_555 1_555 1_555 yes
C(10) C(9) C(13) 88.50(4) 1_555 1_555 1_555 yes
C(10) C(9) C(14) 117.97(5) 1_555 1_555 1_555 yes
C(10) C(9) H(10) 25.81 1_555 1_555 1_555 yes
C(10) C(9) H(14) 144.16 1_555 1_555 1_555 yes
C(11) C(9) C(13) 59.31(3) 1_555 1_555 1_555 yes
C(11) C(9) C(14) 88.78(4) 1_555 1_555 1_555 yes
C(11) C(9) H(10) 55.00 1_555 1_555 1_555 yes
C(11) C(9) H(14) 114.96 1_555 1_555 1_555 yes
C(13) C(9) C(14) 29.47(4) 1_555 1_555 1_555 yes
C(13) C(9) H(10) 114.31 1_555 1_555 1_555 yes
C(13) C(9) H(14) 55.66 1_555 1_555 1_555 yes
C(14) C(9) H(10) 143.78 1_555 1_555 1_555 yes
C(14) C(9) H(14) 26.19 1_555 1_555 1_555 yes
H(10) C(9) H(14) 169.96 1_555 1_555 1_555 yes
C(9) C(10) C(11) 121.42(6) 1_555 1_555 1_555 yes
C(9) C(10) C(12) 91.24(4) 1_555 1_555 1_555 yes
C(9) C(10) C(14) 30.94(3) 1_555 1_555 1_555 yes
C(9) C(10) H(10) 120.19 1_555 1_555 1_555 yes
C(9) C(10) H(11) 147.12 1_555 1_555 1_555 yes
C(11) C(10) C(12) 30.18(4) 1_555 1_555 1_555 yes
C(11) C(10) C(14) 90.48(5) 1_555 1_555 1_555 yes
C(11) C(10) H(10) 118.39 1_555 1_555 1_555 yes
C(11) C(10) H(11) 25.70 1_555 1_555 1_555 yes
C(12) C(10) C(14) 60.30(3) 1_555 1_555 1_555 yes
C(12) C(10) H(10) 148.56 1_555 1_555 1_555 yes
C(12) C(10) H(11) 55.88 1_555 1_555 1_555 yes
C(14) C(10) H(10) 151.13 1_555 1_555 1_555 yes
C(14) C(10) H(11) 116.18 1_555 1_555 1_555 yes
H(10) C(10) H(11) 92.69 1_555 1_555 1_555 yes
C(9) C(11) C(10) 29.38(3) 1_555 1_555 1_555 yes
C(9) C(11) C(12) 90.24(5) 1_555 1_555 1_555 yes
C(9) C(11) C(13) 60.13(3) 1_555 1_555 1_555 yes
C(9) C(11) H(10) 56.03 1_555 1_555 1_555 yes
C(9) C(11) H(11) 149.98 1_555 1_555 1_555 yes
C(9) C(11) H(12) 116.23 1_555 1_555 1_555 yes
C(10) C(11) C(12) 119.62(7) 1_555 1_555 1_555 yes
C(10) C(11) C(13) 89.51(4) 1_555 1_555 1_555 yes
C(10) C(11) H(10) 26.65 1_555 1_555 1_555 yes
C(10) C(11) H(11) 120.60 1_555 1_555 1_555 yes
C(10) C(11) H(12) 145.60 1_555 1_555 1_555 yes
C(12) C(11) C(13) 30.10(4) 1_555 1_555 1_555 yes
C(12) C(11) H(10) 146.26 1_555 1_555 1_555 yes
C(12) C(11) H(11) 119.78 1_555 1_555 1_555 yes
C(12) C(11) H(12) 25.99 1_555 1_555 1_555 yes
C(13) C(11) H(10) 116.16 1_555 1_555 1_555 yes
C(13) C(11) H(11) 149.88 1_555 1_555 1_555 yes
C(13) C(11) H(12) 56.09 1_555 1_555 1_555 yes
H(10) C(11) H(11) 93.95 1_555 1_555 1_555 yes
H(10) C(11) H(12) 172.23 1_555 1_555 1_555 yes
H(11) C(11) H(12) 93.79 1_555 1_555 1_555 yes
C(10) C(12) C(11) 30.21(3) 1_555 1_555 1_555 yes
C(10) C(12) C(13) 89.55(4) 1_555 1_555 1_555 yes
C(10) C(12) C(14) 59.63(2) 1_555 1_555 1_555 yes
C(10) C(12) H(11) 56.26 1_555 1_555 1_555 yes
C(10) C(12) H(12) 150.20 1_555 1_555 1_555 yes
C(10) C(12) H(13) 115.57 1_555 1_555 1_555 yes
C(11) C(12) C(13) 119.75(6) 1_555 1_555 1_555 yes
C(11) C(12) C(14) 89.83(4) 1_555 1_555 1_555 yes
C(11) C(12) H(11) 26.06 1_555 1_555 1_555 yes
C(11) C(12) H(12) 119.99 1_555 1_555 1_555 yes
C(11) C(12) H(13) 145.77 1_555 1_555 1_555 yes
C(13) C(12) C(14) 29.92(3) 1_555 1_555 1_555 yes
C(13) C(12) H(11) 145.81 1_555 1_555 1_555 yes
C(13) C(12) H(12) 120.26 1_555 1_555 1_555 yes
C(13) C(12) H(13) 26.02 1_555 1_555 1_555 yes
C(14) C(12) H(11) 115.89 1_555 1_555 1_555 yes
C(14) C(12) H(12) 150.17 1_555 1_555 1_555 yes
C(14) C(12) H(13) 55.94 1_555 1_555 1_555 yes
H(11) C(12) H(12) 93.93 1_555 1_555 1_555 yes
H(11) C(12) H(13) 171.83 1_555 1_555 1_555 yes
H(12) C(12) H(13) 94.23 1_555 1_555 1_555 yes
C(9) C(13) C(11) 60.56(3) 1_555 1_555 1_555 yes
C(9) C(13) C(12) 90.70(4) 1_555 1_555 1_555 yes
C(9) C(13) C(14) 29.52(3) 1_555 1_555 1_555 yes
C(9) C(13) H(12) 116.60 1_555 1_555 1_555 yes
C(9) C(13) H(13) 149.50 1_555 1_555 1_555 yes
C(9) C(13) H(14) 55.811 1_555 1_555 1_555 yes
C(11) C(13) C(12) 30.14(4) 1_555 1_555 1_555 yes
C(11) C(13) C(14) 90.08(4) 1_555 1_555 1_555 yes
C(11) C(13) H(12) 56.04 1_555 1_555 1_555 yes
C(11) C(13) H(13) 149.93 1_555 1_555 1_555 yes
C(11) C(13) H(14) 116.37 1_555 1_555 1_555 yes
C(12) C(13) C(14) 120.23(6) 1_555 1_555 1_555 yes
C(12) C(13) H(12) 25.90 1_555 1_555 1_555 yes
C(12) C(13) H(13) 119.78 1_555 1_555 1_555 yes
C(12) C(13) H(14) 146.51 1_555 1_555 1_555 yes
C(14) C(13) H(12) 146.12 1_555 1_555 1_555 yes
C(14) C(13) H(13) 119.99 1_555 1_555 1_555 yes
C(14) C(13) H(14) 26.29 1_555 1_555 1_555 yes
H(12) C(13) H(13) 93.89 1_555 1_555 1_555 yes
H(12) C(13) H(14) 172.40 1_555 1_555 1_555 yes
H(13) C(13) H(14) 93.70 1_555 1_555 1_555 yes
C(9) C(14) C(10) 31.09(3) 1_555 1_555 1_555 yes
C(9) C(14) C(12) 91.15(4) 1_555 1_555 1_555 yes
C(9) C(14) C(13) 121.01(6) 1_555 1_555 1_555 yes
C(9) C(14) H(13) 146.91 1_555 1_555 1_555 yes
C(9) C(14) H(14) 119.58 1_555 1_555 1_555 yes
C(10) C(14) C(12) 60.07(3) 1_555 1_555 1_555 yes
C(10) C(14) C(13) 89.92(5) 1_555 1_555 1_555 yes
C(10) C(14) H(13) 115.83 1_555 1_555 1_555 yes
C(10) C(14) H(14) 150.67 1_555 1_555 1_555 yes
C(12) C(14) C(13) 29.85(4) 1_555 1_555 1_555 yes
C(12) C(14) H(13) 55.76 1_555 1_555 1_555 yes
C(12) C(14) H(14) 149.26 1_555 1_555 1_555 yes
C(13) C(14) H(13) 25.91 1_555 1_555 1_555 yes
C(13) C(14) H(14) 119.41 1_555 1_555 1_555 yes
H(13) C(14) H(14) 93.51 1_555 1_555 1_555 yes
SI C(15) C(16) 118.50(4) 1_555 1_555 1_555 yes
SI C(15) C(17) 147.74(3) 1_555 1_555 1_555 yes
SI C(15) C(19) 152.87(3) 1_555 1_555 1_555 yes
SI C(15) C(20) 123.59(4) 1_555 1_555 1_555 yes
SI C(15) H(16) 92.58 1_555 1_555 1_555 yes
SI C(15) H(20) 97.43 1_555 1_555 1_555 yes
C(16) C(15) C(17) 29.26(3) 1_555 1_555 1_555 yes
C(16) C(15) C(19) 88.59(4) 1_555 1_555 1_555 yes
C(16) C(15) C(20) 117.88(5) 1_555 1_555 1_555 yes
C(16) C(15) H(16) 25.93 1_555 1_555 1_555 yes
C(16) C(15) H(20) 144.05 1_555 1_555 1_555 yes
C(17) C(15) C(19) 59.33(3) 1_555 1_555 1_555 yes
C(17) C(15) C(20) 88.63(4) 1_555 1_555 1_555 yes
C(17) C(15) H(16) 55.18 1_555 1_555 1_555 yes
C(17) C(15) H(20) 114.79 1_555 1_555 1_555 yes
C(19) C(15) C(20) 29.29(3) 1_555 1_555 1_555 yes
C(19) C(15) H(16) 114.51 1_555 1_555 1_555 yes
C(19) C(15) H(20) 55.46 1_555 1_555 1_555 yes
C(20) C(15) H(16) 143.80 1_555 1_555 1_555 yes
C(20) C(15) H(20) 26.17 1_555 1_555 1_555 yes
H(16) C(15) H(20) 169.94 1_555 1_555 1_555 yes
C(15) C(16) C(17) 121.20(6) 1_555 1_555 1_555 yes
C(15) C(16) C(18) 91.10(4) 1_555 1_555 1_555 yes
C(15) C(16) C(20) 30.98(3) 1_555 1_555 1_555 yes
C(15) C(16) H(16) 119.69 1_555 1_555 1_555 yes
C(15) C(16) H(17) 146.82 1_555 1_555 1_555 yes
C(17) C(16) C(18) 30.11(4) 1_555 1_555 1_555 yes
C(17) C(16) C(20) 90.23(5) 1_555 1_555 1_555 yes
C(17) C(16) H(16) 119.10 1_555 1_555 1_555 yes
C(17) C(16) H(17) 25.62 1_555 1_555 1_555 yes
C(18) C(16) C(20) 60.12(3) 1_555 1_555 1_555 yes
C(18) C(16) H(16) 149.19 1_555 1_555 1_555 yes
C(18) C(16) H(17) 55.73 1_555 1_555 1_555 yes
C(20) C(16) H(16) 150.65 1_555 1_555 1_555 yes
C(20) C(16) H(17) 115.85 1_555 1_555 1_555 yes
H(16) C(16) H(17) 93.47 1_555 1_555 1_555 yes
C(15) C(17) C(16) 29.54(3) 1_555 1_555 1_555 yes
C(15) C(17) C(18) 90.21(4) 1_555 1_555 1_555 yes
C(15) C(17) C(19) 60.24(2) 1_555 1_555 1_555 yes
C(15) C(17) H(16) 55.854 1_555 1_555 1_555 yes
C(15) C(17) H(17) 150.50 1_555 1_555 1_555 yes
C(15) C(17) H(18) 116.33 1_555 1_555 1_555 yes
C(16) C(17) C(18) 119.75(6) 1_555 1_555 1_555 yes
C(16) C(17) C(19) 89.78(4) 1_555 1_555 1_555 yes
C(16) C(17) H(16) 26.32 1_555 1_555 1_555 yes
C(16) C(17) H(17) 120.96 1_555 1_555 1_555 yes
C(16) C(17) H(18) 145.87 1_555 1_555 1_555 yes
C(18) C(17) C(19) 29.98(3) 1_555 1_555 1_555 yes
C(18) C(17) H(16) 146.06 1_555 1_555 1_555 yes
C(18) C(17) H(17) 119.29 1_555 1_555 1_555 yes
C(18) C(17) H(18) 26.12 1_555 1_555 1_555 yes
C(19) C(17) H(16) 116.09 1_555 1_555 1_555 yes
C(19) C(17) H(17) 149.26 1_555 1_555 1_555 yes
C(19) C(17) H(18) 56.09 1_555 1_555 1_555 yes
H(16) C(17) H(17) 94.64 1_555 1_555 1_555 yes
H(16) C(17) H(18) 172.13 1_555 1_555 1_555 yes
H(17) C(17) H(18) 93.17 1_555 1_555 1_555 yes
C(16) C(18) C(17) 30.14(3) 1_555 1_555 1_555 yes
C(16) C(18) C(19) 89.91(4) 1_555 1_555 1_555 yes
C(16) C(18) C(20) 59.80(2) 1_555 1_555 1_555 yes
C(16) C(18) H(17) 56.48 1_555 1_555 1_555 yes
C(16) C(18) H(18) 149.70 1_555 1_555 1_555 yes
C(16) C(18) H(19) 115.59 1_555 1_555 1_555 yes
C(17) C(18) C(19) 120.05(5) 1_555 1_555 1_555 yes
C(17) C(18) C(20) 89.94(4) 1_555 1_555 1_555 yes
C(17) C(18) H(17) 26.34 1_555 1_555 1_555 yes
C(17) C(18) H(18) 119.57 1_555 1_555 1_555 yes
C(17) C(18) H(19) 145.73 1_555 1_555 1_555 yes
C(19) C(18) C(20) 30.10(3) 1_555 1_555 1_555 yes
C(19) C(18) H(17) 146.39 1_555 1_555 1_555 yes
C(19) C(18) H(18) 120.37 1_555 1_555 1_555 yes
C(19) C(18) H(19) 25.68 1_555 1_555 1_555 yes
C(20) C(18) H(17) 116.29 1_555 1_555 1_555 yes
C(20) C(18) H(18) 150.47 1_555 1_555 1_555 yes
C(20) C(18) H(19) 55.79 1_555 1_555 1_555 yes
H(17) C(18) H(18) 93.23 1_555 1_555 1_555 yes
H(17) C(18) H(19) 172.05 1_555 1_555 1_555 yes
H(18) C(18) H(19) 94.69 1_555 1_555 1_555 yes
C(15) C(19) C(17) 60.43(2) 1_555 1_555 1_555 yes
C(15) C(19) C(18) 90.41(4) 1_555 1_555 1_555 yes
C(15) C(19) C(20) 29.42(3) 1_555 1_555 1_555 yes
C(15) C(19) H(18) 116.19 1_555 1_555 1_555 yes
C(15) C(19) H(19) 149.07 1_555 1_555 1_555 yes
C(15) C(19) H(20) 55.930 1_555 1_555 1_555 yes
C(17) C(19) C(18) 29.98(3) 1_555 1_555 1_555 yes
C(17) C(19) C(20) 89.85(4) 1_555 1_555 1_555 yes
C(17) C(19) H(18) 55.76 1_555 1_555 1_555 yes
C(17) C(19) H(19) 150.48 1_555 1_555 1_555 yes
C(17) C(19) H(20) 116.36 1_555 1_555 1_555 yes
C(18) C(19) C(20) 119.83(6) 1_555 1_555 1_555 yes
C(18) C(19) H(18) 25.78 1_555 1_555 1_555 yes
C(18) C(19) H(19) 120.51 1_555 1_555 1_555 yes
C(18) C(19) H(20) 146.34 1_555 1_555 1_555 yes
C(20) C(19) H(18) 145.61 1_555 1_555 1_555 yes
C(20) C(19) H(19) 119.66 1_555 1_555 1_555 yes
C(20) C(19) H(20) 26.51 1_555 1_555 1_555 yes
H(18) C(19) H(19) 94.73 1_555 1_555 1_555 yes
H(18) C(19) H(20) 172.09 1_555 1_555 1_555 yes
H(19) C(19) H(20) 93.15 1_555 1_555 1_555 yes
C(15) C(20) C(16) 31.14(3) 1_555 1_555 1_555 yes
C(15) C(20) C(18) 91.22(4) 1_555 1_555 1_555 yes
C(15) C(20) C(19) 121.29(5) 1_555 1_555 1_555 yes
C(15) C(20) H(19) 147.30 1_555 1_555 1_555 yes
C(15) C(20) H(20) 119.69 1_555 1_555 1_555 yes
C(16) C(20) C(18) 60.08(3) 1_555 1_555 1_555 yes
C(16) C(20) C(19) 90.14(4) 1_555 1_555 1_555 yes
C(16) C(20) H(19) 116.16 1_555 1_555 1_555 yes
C(16) C(20) H(20) 150.83 1_555 1_555 1_555 yes
C(18) C(20) C(19) 30.07(4) 1_555 1_555 1_555 yes
C(18) C(20) H(19) 56.09 1_555 1_555 1_555 yes
C(18) C(20) H(20) 149.09 1_555 1_555 1_555 yes
C(19) C(20) H(19) 26.02 1_555 1_555 1_555 yes
C(19) C(20) H(20) 119.03 1_555 1_555 1_555 yes
H(19) C(20) H(20) 93.01 1_555 1_555 1_555 yes
MN H(1) SI 87.983 1_555 1_555 1_555 yes
MN H(1) C(1) 56.866 1_555 1_555 1_555 yes
MN H(1) H(10) 157.098 1_555 1_555 1_555 yes
SI H(1) C(1) 129.13 1_555 1_555 1_555 yes
SI H(1) H(10) 88.767 1_555 1_555 1_555 yes
C(1) H(1) H(10) 137.884 1_555 1_555 1_555 yes
C(3) H(3) C(4) 30.58 1_555 1_555 1_555 yes
C(3) H(3) C(7) 31.43 1_555 1_555 1_555 yes
C(4) H(3) C(7) 62.01 1_555 1_555 1_555 yes
O(2) H(4) C(3) 144.26 1_545 1_555 1_555 yes
O(2) H(4) C(4) 170.97 1_545 1_555 1_555 yes
O(2) H(4) C(5) 151.51 1_545 1_555 1_555 yes
C(3) H(4) C(4) 31.30 1_555 1_555 1_555 yes
C(3) H(4) C(5) 61.92 1_555 1_555 1_555 yes
C(4) H(4) C(5) 30.63 1_555 1_555 1_555 yes
F H(5) C(4) 89.06 1_545 1_555 1_555 yes
F H(5) C(5) 118.80 1_545 1_555 1_555 yes
F H(5) C(6) 147.40 1_545 1_555 1_555 yes
C(4) H(5) C(5) 31.19 1_555 1_555 1_555 yes
C(4) H(5) C(6) 61.79 1_555 1_555 1_555 yes
C(5) H(5) C(6) 30.62 1_555 1_555 1_555 yes
C(5) H(6) C(6) 30.76 1_555 1_555 1_555 yes
C(5) H(6) C(7) 62.29 1_555 1_555 1_555 yes
C(6) H(6) C(7) 31.58 1_555 1_555 1_555 yes
C(7) H(81) C(8) 39.74 1_555 1_555 1_555 yes
C(7) H(81) H(82) 65.531 1_555 1_555 1_555 yes
C(7) H(81) H(83) 65.403 1_555 1_555 1_555 yes
C(8) H(81) H(82) 35.99 1_555 1_555 1_555 yes
C(8) H(81) H(83) 36.71 1_555 1_555 1_555 yes
H(82) H(81) H(83) 59.89 1_555 1_555 1_555 yes
C(7) H(82) C(8) 40.33 1_555 1_555 1_555 yes
C(7) H(82) H(81) 66.550 1_555 1_555 1_555 yes
C(7) H(82) H(83) 65.837 1_555 1_555 1_555 yes
C(8) H(82) H(81) 36.46 1_555 1_555 1_555 yes
C(8) H(82) H(83) 36.59 1_555 1_555 1_555 yes
H(81) H(82) H(83) 59.99 1_555 1_555 1_555 yes
C(7) H(83) C(8) 40.79 1_555 1_555 1_555 yes
C(7) H(83) H(81) 66.689 1_555 1_555 1_555 yes
C(7) H(83) H(82) 66.103 1_555 1_555 1_555 yes
C(8) H(83) H(81) 36.74 1_555 1_555 1_555 yes
C(8) H(83) H(82) 36.15 1_555 1_555 1_555 yes
H(81) H(83) H(82) 60.12 1_555 1_555 1_555 yes
C(9) H(10) C(10) 34.01 1_555 1_555 1_555 yes
C(9) H(10) C(11) 68.97 1_555 1_555 1_555 yes
C(9) H(10) H(1) 70.606 1_555 1_555 1_555 yes
C(9) H(10) H(11) 95.099 1_555 1_555 1_555 yes
C(10) H(10) C(11) 34.96 1_555 1_555 1_555 yes
C(10) H(10) H(1) 101.61 1_555 1_555 1_555 yes
C(10) H(10) H(11) 61.09 1_555 1_555 1_555 yes
C(11) H(10) H(1) 132.424 1_555 1_555 1_555 yes
C(11) H(10) H(11) 26.13 1_555 1_555 1_555 yes
H(1) H(10) H(11) 151.44 1_555 1_555 1_555 yes
C(10) H(11) C(11) 33.70 1_555 1_555 1_555 yes
C(10) H(11) C(12) 67.86 1_555 1_555 1_555 yes
C(10) H(11) H(10) 26.213 1_555 1_555 1_555 yes
C(10) H(11) H(12) 93.897 1_555 1_555 1_555 yes
C(11) H(11) C(12) 34.16 1_555 1_555 1_555 yes
C(11) H(11) H(10) 59.91 1_555 1_555 1_555 yes
C(11) H(11) H(12) 60.20 1_555 1_555 1_555 yes
C(12) H(11) H(10) 94.071 1_555 1_555 1_555 yes
C(12) H(11) H(12) 26.037 1_555 1_555 1_555 yes
H(10) H(11) H(12) 120.11 1_555 1_555 1_555 yes
C(11) H(12) C(12) 34.02 1_555 1_555 1_555 yes
C(11) H(12) C(13) 67.87 1_555 1_555 1_555 yes
C(11) H(12) H(11) 26.009 1_555 1_555 1_555 yes
C(11) H(12) H(13) 93.772 1_555 1_555 1_555 yes
C(12) H(12) C(13) 33.85 1_555 1_555 1_555 yes
C(12) H(12) H(11) 60.03 1_555 1_555 1_555 yes
C(12) H(12) H(13) 59.75 1_555 1_555 1_555 yes
C(13) H(12) H(11) 93.876 1_555 1_555 1_555 yes
C(13) H(12) H(13) 25.906 1_555 1_555 1_555 yes
H(11) H(12) H(13) 119.78 1_555 1_555 1_555 yes
C(12) H(13) C(13) 34.19 1_555 1_555 1_555 yes
C(12) H(13) C(14) 68.30 1_555 1_555 1_555 yes
C(12) H(13) H(12) 26.014 1_555 1_555 1_555 yes
C(12) H(13) H(14) 94.512 1_555 1_555 1_555 yes
C(13) H(13) C(14) 34.10 1_555 1_555 1_555 yes
C(13) H(13) H(12) 60.20 1_555 1_555 1_555 yes
C(13) H(13) H(14) 60.32 1_555 1_555 1_555 yes
C(14) H(13) H(12) 94.309 1_555 1_555 1_555 yes
C(14) H(13) H(14) 26.218 1_555 1_555 1_555 yes
H(12) H(13) H(14) 120.52 1_555 1_555 1_555 yes
C(9) H(14) C(13) 68.53 1_555 1_555 1_555 yes
C(9) H(14) C(14) 34.23 1_555 1_555 1_555 yes
C(9) H(14) H(13) 94.504 1_555 1_555 1_555 yes
C(13) H(14) C(14) 34.30 1_555 1_555 1_555 yes
C(13) H(14) H(13) 25.98 1_555 1_555 1_555 yes
C(14) H(14) H(13) 60.28 1_555 1_555 1_555 yes
C(15) H(16) C(16) 34.38 1_555 1_555 1_555 yes
C(15) H(16) C(17) 68.97 1_555 1_555 1_555 yes
C(15) H(16) H(17) 94.990 1_555 1_555 1_555 yes
C(16) H(16) C(17) 34.59 1_555 1_555 1_555 yes
C(16) H(16) H(17) 60.61 1_555 1_555 1_555 yes
C(17) H(16) H(17) 26.024 1_555 1_555 1_555 yes
C(16) H(17) C(17) 33.42 1_555 1_555 1_555 yes
C(16) H(17) C(18) 67.79 1_555 1_555 1_555 yes
C(16) H(17) H(16) 25.915 1_555 1_555 1_555 yes
C(16) H(17) H(18) 93.925 1_555 1_555 1_555 yes
C(17) H(17) C(18) 34.37 1_555 1_555 1_555 yes
C(17) H(17) H(16) 59.33 1_555 1_555 1_555 yes
C(17) H(17) H(18) 60.51 1_555 1_555 1_555 yes
C(18) H(17) H(16) 93.699 1_555 1_555 1_555 yes
C(18) H(17) H(18) 26.140 1_555 1_555 1_555 yes
H(16) H(17) H(18) 119.83 1_555 1_555 1_555 yes
C(17) H(18) C(18) 34.31 1_555 1_555 1_555 yes
C(17) H(18) C(19) 68.15 1_555 1_555 1_555 yes
C(17) H(18) H(17) 26.322 1_555 1_555 1_555 yes
C(17) H(18) H(19) 93.845 1_555 1_555 1_555 yes
C(17) H(18) H(20) 149.47 1_555 1_555 2_656 yes
C(18) H(18) C(19) 33.84 1_555 1_555 1_555 yes
C(18) H(18) H(17) 60.63 1_555 1_555 1_555 yes
C(18) H(18) H(19) 59.54 1_555 1_555 1_555 yes
C(18) H(18) H(20) 126.98 1_555 1_555 2_656 yes
C(19) H(18) H(17) 94.474 1_555 1_555 1_555 yes
C(19) H(18) H(19) 25.695 1_555 1_555 1_555 yes
C(19) H(18) H(20) 98.286 1_555 1_555 2_656 yes
H(17) H(18) H(19) 120.17 1_555 1_555 1_555 yes
H(17) H(18) H(20) 149.02 1_555 1_555 2_656 yes
H(19) H(18) H(20) 75.76 1_555 1_555 2_656 yes
C(18) H(19) C(19) 33.81 1_555 1_555 1_555 yes
C(18) H(19) C(20) 68.13 1_555 1_555 1_555 yes
C(18) H(19) H(18) 25.770 1_555 1_555 1_555 yes
C(18) H(19) H(20) 94.589 1_555 1_555 1_555 yes
C(19) H(19) C(20) 34.32 1_555 1_555 1_555 yes
C(19) H(19) H(18) 59.58 1_555 1_555 1_555 yes
C(19) H(19) H(20) 60.78 1_555 1_555 1_555 yes
C(20) H(19) H(18) 93.897 1_555 1_555 1_555 yes
C(20) H(19) H(20) 26.461 1_555 1_555 1_555 yes
H(18) H(19) H(20) 120.36 1_555 1_555 1_555 yes
C(15) H(20) C(19) 68.61 1_555 1_555 1_555 yes
C(15) H(20) C(20) 34.14 1_555 1_555 1_555 yes
C(15) H(20) H(18) 157.548 1_555 1_555 2_646 yes
C(15) H(20) H(19) 94.677 1_555 1_555 1_555 yes
C(19) H(20) C(20) 34.46 1_555 1_555 1_555 yes
C(19) H(20) H(18) 91.428 1_555 1_555 2_646 yes
C(19) H(20) H(19) 26.070 1_555 1_555 1_555 yes
C(20) H(20) H(18) 125.19 1_555 1_555 2_646 yes
C(20) H(20) H(19) 60.53 1_555 1_555 1_555 yes
H(18) H(20) H(19) 65.86 2_646 1_555 1_555 yes

# End of Crystallographic Information File