# Supplementary Material (ESI) for Journal of Materials Chemistry
# This journal is (C) The Royal Society of Chemistry 2010


data_global
#TrackingRef '- siasu7.cif'
_journal_coden_Cambridge         1145

#------------------ AUDIT DETAILS -------------------------------------------#

_audit_creation_date             2009-10-20
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_update_record             ?

#------------------ AUTHOR DETAILS -------------------------------------------#

# Name and address of author for correspondence

_publ_contact_author_name        'Martin P. Attfield'
_publ_contact_author_address     
;
School of Chemistry,
University of Manchester,
Brunswick Street,
Manchester M13 9PL,
UK
;
_publ_contact_author_email       m.attfield@manchester.ac.uk
_publ_contact_author_fax         44(161)3064467
_publ_contact_author_phone       44(161)2754598

loop_
_publ_author_name
'Martin P. Attfield'

# Insert blank lines between references

_publ_section_references         
;
Blessing, R. H. (1995) Acta Cryst., A51, 33-38.

Blessing, R. H. (1987) Cryst. Rev. 1, 3-58.

Blessing, R. H. (1989) J. Appl. Cryst. 22, 396-397.

Bruker (2007) APEX2 (Version 2.1-4), SAINT (version 7.34A), SADABS
(version 2007/4), BrukerAXS Inc, Madison, Wisconsin, USA.

Cremer, D. & Pople, J.A. (1975). J. Am. Chem. Soc. 97, 1354-1358.

Flack H. D. & Bernardinelli, G. (71999). Acta Cryst. A55, 908-915.

Flack H. D. & Bernardinelli, G. (2000). J. Appl. Cryst. 33, 1143-1148.

Lehman, M. S. and Larsen, F. K. (1974) Acta. Cryst. A30, 580

LePage, Y. (1987). J. Appl. Cryst. 20, 264-269.

North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968) Acta Cryst,
A24, 351-359

Streltsov, V. A. & Zavodnik, V. E. (1989) Sov. Phys. Crystallogr.
34, 824-828

Streltsov, V. A. & Zavodnik, V. E. (1990) Sov. Phys. Crystallogr.
35, 281.

ABSCOR: Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.

APEX, APEX2, SMART, SAINT, SAINT-Plus: Bruker (2007). Program name(s).
Bruker AXS Inc., Madison, Wisconsin, USA.
[Older versions (pre-1997) should refer to Siemens Analytical X-ray
Instruments Inc. instead of Bruker AXS.]

CAD-4 Software: Enraf-Nonius (1989). CAD-4 Software (or CAD-4 EXPRESS).
Enraf-Nonius, Delft, The Netherlands.

Cambridge Structural Database: Allen, F. R. (2002). Acta Cryst. B58, 380-388.

CAMERON: Watkin, D. J., Prout, C. K. & Pearce, L. J. (1996). CAMERON.
Chemical Crystallography Laboratory, Oxford, England.

CrysAlis CCD, CrysAlis RED and associated programs: Oxford Diffraction (2006).
Program name(s). Oxford Diffraction Ltd, Abingdon, England.

CRYSTALS: Betteridge, P. W., Carruthers, J. R., Cooper, R. I., Prout, K. &
Watkin, D. J. (2003). J. Appl. Cryst. 36, 1487.

COLLECT: Nonius [or Hooft, R. W. W.] (1998). COLLECT. Nonius BV, Delft,
The Netherlands.

DENZO/SCALEPACK: Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology,
Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr
& R. M. Sweet, pp. 307-326. New York: Academic Press.

DIAMOND: Brandenburg, K. [or Brandenburg, K. & Putz, H., or Brandenburg, K.
& Berndt, M.] (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.

DIF4 and REDU4: Stoe & Cie (1991). Program name(s). Stoe & Cie, Darmstadt,
Germany.

DIFABS: Walker, N. & Stuart, D. (1983). Acta Cryst., A39, 158 - 166.

DIRAX: Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.

DIRDIF99: Beurskens, P.T., Beurskens, G., de Gelder, R., Garci\'ia-Granda,
S., Gould, R.O., Israel, R. & Smits, J.M.M. (1999) The DIRDIF-99 program
system, Technical Report of the Crystallography Laboratory, University of
Nijmegen, The Netherlands.

enCIFer: Allen, F. H., Johnson, O., Shields, G. P., Smith, B. R. & Towler,
M. (2004). J. Appl. Cryst. 37, 335-338.

EVALCCD: Duisenberg, A. J. M., Kroon-Batenburg, L. M. J. & Schreurs,
A. M. M. (2003). J. Appl. Cryst. 36, 220-229.

JANA2000: Petricek, V. & Dusek, M. (2000). JANA2000. Institute of Physics,
Czech Academy of Sciences, Prague, Czech Republic.

Mercury: Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields,
G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst.
39, 453-457.

Mogul: Bruno, I. J., Cole, J. C., Kessler, M., Luo, J., Motherwell,
W. D. S., Purkis, L. H., Smith, B. R., Taylor, R., Cooper, R. I., Harris,
S. E. & Orpen, A. G. (2004). J. Chem. Inf. Comput. Sci. 44, 2133-2144.

ORTEPII: Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge
National Laboratory, Tennessee, USA.

ORTEPIII: Burnett, M. N. & Johnson, C. K. (1996). ORTEPIII.
Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA.

ORTEP-3: Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.

PARST: Nardelli, M. (1995). J. Appl. Cryst. 28, 659.

PLATON: Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.

PROCESS: Rigaku (1996). PROCESS. Rigaku Corporation, Tokyo, Japan.

PROCESS-AUTO: Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.

publCIF: Westrip, S. P. (2008). publCIF. In preparation.

SADABS, TWINABS: Bruker (2001). Program name. Bruker AXS Inc., Madison,
Wisconsin, USA. or Sheldrick, G. M. (1996). Program name. University of
G ttingen, Germany.

SHELX Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

SIR92: Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla,
M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.

SIR97: Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L.,
Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. &
Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.

SIR2002: Burla, M. C., Camalli, M., Carrozzini, B., Cascarano, G. L.,
Giacovazzo, C., Polidori, G. & Spagna, R. (2003). J. Appl. Cryst. 36, 1103.

SUPERFLIP Palatinus, L. & Chapuis, G. (2007) J. Appl. Cryst. 40, 786-790.

TEXSAN: Molecular Structure Corporation & Rigaku (2000). TEXSAN. MSC,
The Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan.

WinGX: Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.

X-AREA, X-RED, X-RED32, X-SHAPE: Stoe & Cie (2002). Program name(s).
Stoe & Cie GmbH, Darmstadt, Germany.

XCAD4: Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.

XSCANS: Siemens (1994). XSCANS. Siemens Analytical X-ray Instruments Inc.,
Madison, Wisconsin, USA.

;
_publ_requested_category         FM

#------------------ SECTION 2. COMPOUND(S) DETAILS -------------------------#

data_317
_database_code_depnum_ccdc_archive 'CCDC 777010'
#TrackingRef '- siasu7.cif'

_audit_creation_date             2009-10-20T17:21:46-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
# CHEMICAL INFORMATION #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
?
;
_chemical_formula_moiety         '2(Ge3.89 Si1.11 O10), C2 N, O'

_chemical_formula_sum            'C8 Ge31.14 N4.16 O84 Si8.86'
_chemical_formula_weight         4008.49
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
# UNIT CELL INFORMATION #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 4/m n c'
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_Int_Tables_number      128
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x-1/2, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z-1/2'
'-y-1/2, -x-1/2, z-1/2'
'y-1/2, x-1/2, z-1/2'

_cell_length_a                   12.3484(3)
_cell_length_b                   12.3484(3)
_cell_length_c                   14.3979(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2195.43(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    2580
_cell_measurement_theta_min      2.91
_cell_measurement_theta_max      27.48
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
# CRYSTAL INFORMATION #
#----------------------------------------------------------------------------#

_exptl_crystal_description       Rod
_exptl_crystal_colour            Colourless
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_crystal_density_diffrn    3.03
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1869.2
_exptl_special_details           
;
?
;

#----------------------------------------------------------------------------#
# ABSORPTION CORRECTION #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    10.731
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS V2.10 (Sheldrick, G.M., 2003)'
_exptl_absorpt_correction_T_min  0.288
_exptl_absorpt_correction_T_max  0.746

#----------------------------------------------------------------------------#
# DATA COLLECTION #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_measurement_device_type  'Bruker-Nonius 95mm CCD camera on \k-goniostat'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_detector_area_resol_mean 9.091
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_av_unetI/netI     0.025
_diffrn_reflns_number            11355
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.3
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_reflns_number_total             1314
_reflns_number_gt                955
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
# COMPUTER PROGRAMS USED #
#----------------------------------------------------------------------------#

_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_cell_refinement       
"'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)"
_computing_data_reduction        
"'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)"
_computing_structure_solution    'SHELXs-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
# STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   none

#----------------------------------------------------------------------------#
# REFINEMENT INFORMATION #
#----------------------------------------------------------------------------#

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0140P)^2^+7.1308P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     none
_refine_ls_number_reflns         1314
_refine_ls_number_parameters     111
_refine_ls_number_restraints     28
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0242
_refine_ls_wR_factor_ref         0.0614
_refine_ls_wR_factor_gt          0.0547
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_restrained_S_all      1.114
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.735
_refine_diff_density_min         -0.531
_refine_diff_density_rms         0.121

#----------------------------------------------------------------------------#
# ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.34036(3) 0.08320(3) 0.10883(3) 0.00935(15) Uani 0.771(7) 1 d P . 1
Ge2 Ge 0.58463(3) 0.16037(3) 0.10817(3) 0.00931(15) Uani 0.773(7) 1 d P . 1
Ge3 Ge 0.25041(3) 0.24959(3) 0.25 0.00967(17) Uani 0.805(7) 2 d SP . 1
Si1 Si 0.34036(3) 0.08320(3) 0.10883(3) 0.00935(15) Uani 0.229(7) 1 d P . 2
Si2 Si 0.58463(3) 0.16037(3) 0.10817(3) 0.00931(15) Uani 0.227(7) 1 d P . 2
Si3 Si 0.25041(3) 0.24959(3) 0.25 0.00967(17) Uani 0.195(7) 2 d SP . 2
O1 O 0.24074(18) 0.13577(18) 0.18095(16) 0.0168(6) Uani 1 1 d . . .
O2 O 0.63635(18) 0.25990(18) 0.18081(16) 0.0168(6) Uani 1 1 d . . .
O3 O 0.3074(4) 0.1295(4) 0 0.0184(11) Uani 0.868(12) 2 d SP . .
O4 O 0.4588(3) 0.1360(3) 0.1536(3) 0.0199(9) Uani 0.868(12) 1 d P . .
O5 O 0.5825(4) 0.2188(4) 0 0.0172(11) Uani 0.868(12) 2 d SP . .
O6 O 0.3254(3) -0.0547(2) 0.1205(3) 0.0178(10) Uani 0.868(12) 1 d P . .
O7 O 0.5 0 0 0.062(2) Uani 1 4 d S . .
C1 C 0.5 0.5 0.3772(19) 0.066(7) Uani 0.5 4 d SPDU . .
C2 C 0.5 0.5 0.208(2) 0.074(11) Uani 0.5 4 d SPDU . .
C3 C 0.5 0.5 0.123(2) 0.092(10) Uani 0.5 4 d SPDU . .
C4 C 0.5 0.5 0.298(2) 0.084(9) Uani 0.5 4 d SPDU . .
N1 N 0.520(3) 0.434(2) 0.2926(16) 0.039(8) Uiso 0.13 1 d PD . .
N2 N 0.485(3) 0.436(3) 0.2108(16) 0.038(7) Uiso 0.13 1 d PD . .
O3B O 0.283(3) 0.085(3) 0 0.027(5) Uiso 0.132(12) 2 d SP . .
O4B O 0.451(2) 0.169(2) 0.123(2) 0.027(5) Uiso 0.132(12) 1 d P . .
O5B O 0.628(3) 0.194(3) 0 0.027(5) Uiso 0.132(12) 2 d SP . .
O6B O 0.368(3) -0.0414(19) 0.152(2) 0.027(5) Uiso 0.132(12) 1 d P . .

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
Ge1 0.0104(2) 0.0094(2) 0.0083(2) 0.00005(15) -0.00021(15) -0.00016(14)
Ge2 0.0101(2) 0.0099(2) 0.0080(2) 0.00050(15) 0.00013(15) 0.00026(14)
Ge3 0.0103(2) 0.0103(2) 0.0085(3) -0.00014(16) -0.00014(16) 0.00041(17)
Si1 0.0104(2) 0.0094(2) 0.0083(2) 0.00005(15) -0.00021(15) -0.00016(14)
Si2 0.0101(2) 0.0099(2) 0.0080(2) 0.00050(15) 0.00013(15) 0.00026(14)
Si3 0.0103(2) 0.0103(2) 0.0085(3) -0.00014(16) -0.00014(16) 0.00041(17)
O1 0.0190(12) 0.0171(12) 0.0142(12) -0.0022(10) 0.0008(10) -0.0009(10)
O2 0.0166(12) 0.0169(12) 0.0170(13) -0.0016(10) -0.0036(10) -0.0007(9)
O3 0.026(2) 0.016(2) 0.013(2) 0 0 -0.0006(19)
O4 0.0161(15) 0.0282(18) 0.0155(17) 0.0009(14) 0.0001(13) -0.0071(13)
O5 0.020(2) 0.019(2) 0.013(2) 0 0 0.0018(17)
O6 0.0185(18) 0.0126(14) 0.0221(18) 0.0016(13) -0.0008(14) 0.0036(12)
O7 0.067(5) 0.074(5) 0.044(4) 0 0 0.002(4)
C1 0.061(10) 0.061(10) 0.075(18) 0 0 0
C2 0.015(7) 0.015(7) 0.19(4) 0 0 0
C3 0.069(13) 0.069(13) 0.14(3) 0 0 0
C4 0.076(15) 0.076(15) 0.10(3) 0 0 0

#----------------------------------------------------------------------------#
# MOLECULAR GEOMETRY #
#----------------------------------------------------------------------------#

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 O6B 1.70(2) . ?
Ge1 O3 1.7171(19) . ?
Ge1 O3B 1.719(15) . ?
Ge1 O6 1.721(3) . ?
Ge1 O4 1.726(3) . ?
Ge1 O1 1.736(2) . ?
Ge1 O4B 1.74(3) . ?
Ge2 O4B 1.67(3) . ?
Ge2 O5B 1.699(14) . ?
Ge2 O6B 1.70(2) 2_655 ?
Ge2 O4 1.713(3) . ?
Ge2 O5 1.7167(19) . ?
Ge2 O6 1.723(3) 2_655 ?
Ge2 O2 1.736(2) . ?
Ge3 O1 1.726(2) 8 ?
Ge3 O1 1.726(2) . ?
Ge3 O2 1.729(2) 4_565 ?
Ge3 O2 1.729(2) 6_455 ?
O2 Si3 1.729(2) 3_655 ?
O2 Ge3 1.729(2) 3_655 ?
O3 O3B 0.62(4) . ?
O3 Si1 1.7171(19) 10 ?
O3 Ge1 1.7171(19) 10 ?
O4 O4B 0.60(3) . ?
O5 O5B 0.64(4) . ?
O5 Si2 1.7167(19) 10 ?
O5 Ge2 1.7167(19) 10 ?
O6 O6B 0.72(3) . ?
O6 Si2 1.723(3) 2_655 ?
O6 Ge2 1.723(3) 2_655 ?
C1 C4 1.14(4) . ?
C1 N1 1.484(18) 4_565 ?
C1 N1 1.484(18) 3_655 ?
C1 N1 1.484(18) 2_665 ?
C1 N1 1.484(18) . ?
C2 N2 0.82(3) 2_665 ?
C2 N2 0.82(3) . ?
C2 N2 0.82(3) 3_655 ?
C2 N2 0.82(3) 4_565 ?
C2 C3 1.22(4) . ?
C2 C4 1.30(5) . ?
C2 N1 1.484(19) 3_655 ?
C2 N1 1.484(19) 2_665 ?
C2 N1 1.484(19) . ?
C2 N1 1.484(19) 4_565 ?
C3 N2 1.503(18) 2_665 ?
C3 N2 1.503(18) 3_655 ?
C3 N2 1.503(18) 4_565 ?
C3 N2 1.503(18) . ?
C4 N1 0.85(3) 3_655 ?
C4 N1 0.85(3) 4_565 ?
C4 N1 0.85(3) 2_665 ?
C4 N1 0.85(3) . ?
C4 N2 1.497(18) . ?
C4 N2 1.497(18) 4_565 ?
C4 N2 1.497(18) 3_655 ?
C4 N2 1.497(18) 2_665 ?
N1 N1 1.20(4) 3_655 ?
N1 N1 1.20(4) 4_565 ?
N1 N2 1.25(3) . ?
N1 N2 1.44(4) 3_655 ?
N1 N1 1.69(6) 2_665 ?
N1 N2 1.86(4) 4_565 ?
N2 N2 1.16(4) 3_655 ?
N2 N2 1.16(4) 4_565 ?
N2 N1 1.44(4) 4_565 ?
N2 N2 1.64(6) 2_665 ?
N2 N1 1.86(4) 3_655 ?
O3B Si1 1.719(16) 10 ?
O3B Ge1 1.719(16) 10 ?
O5B Si2 1.699(14) 10 ?
O5B Ge2 1.699(14) 10 ?
O6B Si2 1.70(2) 2_655 ?
O6B Ge2 1.70(2) 2_655 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O6B Ge1 O3 133.4(10) . . ?
O6B Ge1 O3B 115.7(14) . . ?
O3 Ge1 O3B 20.9(13) . . ?
O6B Ge1 O6 24.3(11) . . ?
O3 Ge1 O6 113.14(17) . . ?
O3B Ge1 O6 93.4(14) . . ?
O6B Ge1 O4 91.9(11) . . ?
O3 Ge1 O4 114.59(18) . . ?
O3B Ge1 O4 133.1(13) . . ?
O6 Ge1 O4 115.36(15) . . ?
O6B Ge1 O1 105.2(8) . . ?
O3 Ge1 O1 104.67(15) . . ?
O3B Ge1 O1 104.4(11) . . ?
O6 Ge1 O1 103.63(12) . . ?
O4 Ge1 O1 103.62(13) . . ?
O6B Ge1 O4B 110.3(12) . . ?
O3 Ge1 O4B 95.4(11) . . ?
O3B Ge1 O4B 115.0(14) . . ?
O6 Ge1 O4B 132.3(10) . . ?
O4 Ge1 O4B 20.0(11) . . ?
O1 Ge1 O4B 105.0(9) . . ?
O4B Ge2 O5B 114.7(14) . . ?
O4B Ge2 O6B 110.0(12) . 2_655 ?
O5B Ge2 O6B 116.3(14) . 2_655 ?
O4B Ge2 O4 20.4(11) . . ?
O5B Ge2 O4 132.9(13) . . ?
O6B Ge2 O4 90.9(11) 2_655 . ?
O4B Ge2 O5 94.4(12) . . ?
O5B Ge2 O5 21.7(13) . . ?
O6B Ge2 O5 135.0(11) 2_655 . ?
O4 Ge2 O5 113.99(18) . . ?
O4B Ge2 O6 132.1(11) . 2_655 ?
O5B Ge2 O6 94.2(14) . 2_655 ?
O6B Ge2 O6 24.2(11) 2_655 2_655 ?
O4 Ge2 O6 114.39(16) . 2_655 ?
O5 Ge2 O6 114.94(17) . 2_655 ?
O4B Ge2 O2 104.1(9) . . ?
O5B Ge2 O2 105.3(11) . . ?
O6B Ge2 O2 105.1(8) 2_655 . ?
O4 Ge2 O2 103.17(13) . . ?
O5 Ge2 O2 104.75(15) . . ?
O6 Ge2 O2 103.70(12) 2_655 . ?
O1 Ge3 O1 116.40(16) 8 . ?
O1 Ge3 O2 102.73(10) 8 4_565 ?
O1 Ge3 O2 109.65(11) . 4_565 ?
O1 Ge3 O2 109.65(11) 8 6_455 ?
O1 Ge3 O2 102.73(10) . 6_455 ?
O2 Ge3 O2 116.25(15) 4_565 6_455 ?
Ge3 O1 Ge1 126.88(14) . . ?
Si3 O2 Ge3 0.00(3) 3_655 3_655 ?
Si3 O2 Ge2 126.80(13) 3_655 . ?
Ge3 O2 Ge2 126.80(13) 3_655 . ?
O3B O3 Si1 79.7(13) . 10 ?
O3B O3 Ge1 79.7(13) . 10 ?
Si1 O3 Ge1 0.00(3) 10 10 ?
O3B O3 Ge1 79.7(13) . . ?
Si1 O3 Ge1 131.7(3) 10 . ?
Ge1 O3 Ge1 131.7(3) 10 . ?
O4B O4 Ge2 76(3) . . ?
O4B O4 Ge1 81(3) . . ?
Ge2 O4 Ge1 133.8(2) . . ?
O5B O5 Si2 77.6(12) . 10 ?
O5B O5 Ge2 77.6(12) . 10 ?
Si2 O5 Ge2 0.00(2) 10 10 ?
O5B O5 Ge2 77.6(12) . . ?
Si2 O5 Ge2 130.2(3) 10 . ?
Ge2 O5 Ge2 130.2(3) 10 . ?
O6B O6 Ge1 75.9(19) . . ?
O6B O6 Si2 76.4(19) . 2_655 ?
Ge1 O6 Si2 132.1(2) . 2_655 ?
O6B O6 Ge2 76.4(19) . 2_655 ?
Ge1 O6 Ge2 132.1(2) . 2_655 ?
Si2 O6 Ge2 0.00(4) 2_655 2_655 ?
C4 C1 N1 34.8(13) . 4_565 ?
C4 C1 N1 34.8(13) . 3_655 ?
N1 C1 N1 70(3) 4_565 3_655 ?
C4 C1 N1 34.8(13) . 2_665 ?
N1 C1 N1 47.6(16) 4_565 2_665 ?
N1 C1 N1 47.6(16) 3_655 2_665 ?
C4 C1 N1 34.8(13) . . ?
N1 C1 N1 47.6(16) 4_565 . ?
N1 C1 N1 47.6(16) 3_655 . ?
N1 C1 N1 70(3) 2_665 . ?
N2 C2 N2 174(5) 2_665 . ?
N2 C2 N2 89.9(3) 2_665 3_655 ?
N2 C2 N2 89.9(3) . 3_655 ?
N2 C2 N2 89.9(3) 2_665 4_565 ?
N2 C2 N2 89.9(3) . 4_565 ?
N2 C2 N2 174(5) 3_655 4_565 ?
N2 C2 C3 93(3) 2_665 . ?
N2 C2 C3 93(3) . . ?
N2 C2 C3 93(3) 3_655 . ?
N2 C2 C3 93(3) 4_565 . ?
N2 C2 C4 87(3) 2_665 . ?
N2 C2 C4 87(3) . . ?
N2 C2 C4 87(3) 3_655 . ?
N2 C2 C4 87(3) 4_565 . ?
C3 C2 C4 180.000(7) . . ?
N2 C2 N1 71(3) 2_665 3_655 ?
N2 C2 N1 104(3) . 3_655 ?
N2 C2 N1 58(2) 3_655 3_655 ?
N2 C2 N1 117(3) 4_565 3_655 ?
C3 C2 N1 145.2(14) . 3_655 ?
C4 C2 N1 34.8(14) . 3_655 ?
N2 C2 N1 58(2) 2_665 2_665 ?
N2 C2 N1 117(3) . 2_665 ?
N2 C2 N1 104(3) 3_655 2_665 ?
N2 C2 N1 71(3) 4_565 2_665 ?
C3 C2 N1 145.2(14) . 2_665 ?
C4 C2 N1 34.8(14) . 2_665 ?
N1 C2 N1 47.6(17) 3_655 2_665 ?
N2 C2 N1 117(3) 2_665 . ?
N2 C2 N1 58(2) . . ?
N2 C2 N1 71(3) 3_655 . ?
N2 C2 N1 104(3) 4_565 . ?
C3 C2 N1 145.2(14) . . ?
C4 C2 N1 34.8(14) . . ?
N1 C2 N1 47.6(17) 3_655 . ?
N1 C2 N1 70(3) 2_665 . ?
N2 C2 N1 104(3) 2_665 4_565 ?
N2 C2 N1 71(3) . 4_565 ?
N2 C2 N1 117(3) 3_655 4_565 ?
N2 C2 N1 58(2) 4_565 4_565 ?
C3 C2 N1 145.2(14) . 4_565 ?
C4 C2 N1 34.8(14) . 4_565 ?
N1 C2 N1 70(3) 3_655 4_565 ?
N1 C2 N1 47.6(17) 2_665 4_565 ?
N1 C2 N1 47.6(17) . 4_565 ?
C2 C3 N2 33.0(14) . 2_665 ?
C2 C3 N2 33.0(14) . 3_655 ?
N2 C3 N2 45.3(18) 2_665 3_655 ?
C2 C3 N2 33.0(14) . 4_565 ?
N2 C3 N2 45.3(18) 2_665 4_565 ?
N2 C3 N2 66(3) 3_655 4_565 ?
C2 C3 N2 33.0(14) . . ?
N2 C3 N2 66(3) 2_665 . ?
N2 C3 N2 45.3(18) 3_655 . ?
N2 C3 N2 45.3(18) 4_565 . ?
N1 C4 N1 170(5) 3_655 4_565 ?
N1 C4 N1 89.5(5) 3_655 2_665 ?
N1 C4 N1 89.5(5) 4_565 2_665 ?
N1 C4 N1 89.5(5) 3_655 . ?
N1 C4 N1 89.5(5) 4_565 . ?
N1 C4 N1 170(5) 2_665 . ?
N1 C4 C1 95(3) 3_655 . ?
N1 C4 C1 95(3) 4_565 . ?
N1 C4 C1 95(3) 2_665 . ?
N1 C4 C1 95(3) . . ?
N1 C4 C2 85(3) 3_655 . ?
N1 C4 C2 85(3) 4_565 . ?
N1 C4 C2 85(3) 2_665 . ?
N1 C4 C2 85(3) . . ?
C1 C4 C2 180.000(9) . . ?
N1 C4 N2 101(3) 3_655 . ?
N1 C4 N2 70(3) 4_565 . ?
N1 C4 N2 113(3) 2_665 . ?
N1 C4 N2 57(2) . . ?
C1 C4 N2 146.9(14) . . ?
C2 C4 N2 33.1(14) . . ?
N1 C4 N2 113(3) 3_655 4_565 ?
N1 C4 N2 57(2) 4_565 4_565 ?
N1 C4 N2 70(3) 2_665 4_565 ?
N1 C4 N2 101(3) . 4_565 ?
C1 C4 N2 146.9(14) . 4_565 ?
C2 C4 N2 33.1(14) . 4_565 ?
N2 C4 N2 45.4(19) . 4_565 ?
N1 C4 N2 57(2) 3_655 3_655 ?
N1 C4 N2 113(3) 4_565 3_655 ?
N1 C4 N2 101(3) 2_665 3_655 ?
N1 C4 N2 70(3) . 3_655 ?
C1 C4 N2 146.9(14) . 3_655 ?
C2 C4 N2 33.1(14) . 3_655 ?
N2 C4 N2 45.4(19) . 3_655 ?
N2 C4 N2 66(3) 4_565 3_655 ?
N1 C4 N2 70(3) 3_655 2_665 ?
N1 C4 N2 101(3) 4_565 2_665 ?
N1 C4 N2 57(2) 2_665 2_665 ?
N1 C4 N2 113(3) . 2_665 ?
C1 C4 N2 146.9(14) . 2_665 ?
C2 C4 N2 33.1(14) . 2_665 ?
N2 C4 N2 66(3) . 2_665 ?
N2 C4 N2 45.4(19) 4_565 2_665 ?
N2 C4 N2 45.4(19) 3_655 2_665 ?
C4 N1 N1 45.2(2) . 3_655 ?
C4 N1 N1 45.2(2) . 4_565 ?
N1 N1 N1 90.000(9) 3_655 4_565 ?
C4 N1 N2 89(3) . . ?
N1 N1 N2 98.7(17) 3_655 . ?
N1 N1 N2 72(2) 4_565 . ?
C4 N1 N2 77(3) . 3_655 ?
N1 N1 N2 55.7(17) 3_655 3_655 ?
N1 N1 N2 97.6(15) 4_565 3_655 ?
N2 N1 N2 50(2) . 3_655 ?
C4 N1 C2 60(3) . . ?
N1 N1 C2 66.2(9) 3_655 . ?
N1 N1 C2 66.2(9) 4_565 . ?
N2 N1 C2 33.5(15) . . ?
N2 N1 C2 32.5(13) 3_655 . ?
C4 N1 C1 50(3) . . ?
N1 N1 C1 66.2(8) 3_655 . ?
N1 N1 C1 66.2(8) 4_565 . ?
N2 N1 C1 135(3) . . ?
N2 N1 C1 120(2) 3_655 . ?
C2 N1 C1 110(3) . . ?
C4 N1 N1 5(3) . 2_665 ?
N1 N1 N1 45.000(7) 3_655 2_665 ?
N1 N1 N1 45.000(5) 4_565 2_665 ?
N2 N1 N1 84(2) . 2_665 ?
N2 N1 N1 72.3(19) 3_655 2_665 ?
C2 N1 N1 55.2(14) . 2_665 ?
C1 N1 N1 55.2(13) . 2_665 ?
C4 N1 N2 52(2) . 4_565 ?
N1 N1 N2 78.0(14) 3_655 4_565 ?
N1 N1 N2 41.7(10) 4_565 4_565 ?
N2 N1 N2 37.6(16) . 4_565 ?
N2 N1 N2 58(2) 3_655 4_565 ?
C2 N1 N2 25.3(11) . 4_565 ?
C1 N1 N2 98(2) . 4_565 ?
N1 N1 N2 47.6(14) 2_665 4_565 ?
C2 N2 N2 45.07(14) . 3_655 ?
C2 N2 N2 45.07(14) . 4_565 ?
N2 N2 N2 90.000(6) 3_655 4_565 ?
C2 N2 N1 89(3) . . ?
N2 N2 N1 73(2) 3_655 . ?
N2 N2 N1 101.0(17) 4_565 . ?
C2 N2 N1 77(3) . 4_565 ?
N2 N2 N1 99.6(15) 3_655 4_565 ?
N2 N2 N1 56.4(18) 4_565 4_565 ?
N1 N2 N1 52(2) . 4_565 ?
C2 N2 C4 60(3) . . ?
N2 N2 C4 67.3(9) 3_655 . ?
N2 N2 C4 67.3(9) 4_565 . ?
N1 N2 C4 34.6(14) . . ?
N1 N2 C4 33.6(12) 4_565 . ?
C2 N2 C3 54(3) . . ?
N2 N2 C3 67.4(9) 3_655 . ?
N2 N2 C3 67.4(9) 4_565 . ?
N1 N2 C3 139(3) . . ?
N1 N2 C3 122(3) 4_565 . ?
C4 N2 C3 114(3) . . ?
C2 N2 N2 3(3) . 2_665 ?
N2 N2 N2 45.000(2) 3_655 2_665 ?
N2 N2 N2 45.000(5) 4_565 2_665 ?
N1 N2 N2 86(2) . 2_665 ?
N1 N2 N2 74(2) 4_565 2_665 ?
C4 N2 N2 56.9(14) . 2_665 ?
C3 N2 N2 57.0(14) . 2_665 ?
C2 N2 N1 51(2) . 3_655 ?
N2 N2 N1 41.4(10) 3_655 3_655 ?
N2 N2 N1 78.9(15) 4_565 3_655 ?
N1 N2 N1 39.5(15) . 3_655 ?
N1 N2 N1 60(2) 4_565 3_655 ?
C4 N2 N1 26.6(11) . 3_655 ?
C3 N2 N1 100(2) . 3_655 ?
N2 N2 N1 48.2(15) 2_665 3_655 ?
O3 O3B Ge1 79.4(19) . . ?
O3 O3B Si1 79.4(19) . 10 ?
Ge1 O3B Si1 131(2) . 10 ?
O3 O3B Ge1 79.4(19) . 10 ?
Ge1 O3B Ge1 131(2) . 10 ?
Si1 O3B Ge1 0.00(2) 10 10 ?
O4 O4B Ge2 84(3) . . ?
O4 O4B Ge1 79(3) . . ?
Ge2 O4B Ge1 136.5(17) . . ?
O5 O5B Si2 80.7(18) . 10 ?
O5 O5B Ge2 80.7(18) . 10 ?
Si2 O5B Ge2 0.00(3) 10 10 ?
O5 O5B Ge2 80.7(18) . . ?
Si2 O5B Ge2 133(2) 10 . ?
Ge2 O5B Ge2 133(2) 10 . ?
O6 O6B Ge1 80(2) . . ?
O6 O6B Si2 79(2) . 2_655 ?
Ge1 O6B Si2 135.5(17) . 2_655 ?
O6 O6B Ge2 79(2) . 2_655 ?
Ge1 O6B Ge2 135.5(17) . 2_655 ?
Si2 O6B Ge2 0.00(4) 2_655 2_655 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Ge3 O1 Ge1 -48.63(13) 8 . . . ?
O2 Ge3 O1 Ge1 67.37(19) 4_565 . . . ?
O2 Ge3 O1 Ge1 -168.43(15) 6_455 . . . ?
O6B Ge1 O1 Ge3 117.3(13) . . . . ?
O3 Ge1 O1 Ge3 -98.8(2) . . . . ?
O3B Ge1 O1 Ge3 -120.5(15) . . . . ?
O6 Ge1 O1 Ge3 142.4(2) . . . . ?
O4 Ge1 O1 Ge3 21.6(2) . . . . ?
O4B Ge1 O1 Ge3 1.0(13) . . . . ?
O4B Ge2 O2 Si3 139.4(13) . . . 3_655 ?
O5B Ge2 O2 Si3 -99.6(15) . . . 3_655 ?
O6B Ge2 O2 Si3 23.8(13) 2_655 . . 3_655 ?
O4 Ge2 O2 Si3 118.4(2) . . . 3_655 ?
O5 Ge2 O2 Si3 -122.1(2) . . . 3_655 ?
O6 Ge2 O2 Si3 -1.2(2) 2_655 . . 3_655 ?
O4B Ge2 O2 Ge3 139.4(13) . . . 3_655 ?
O5B Ge2 O2 Ge3 -99.6(15) . . . 3_655 ?
O6B Ge2 O2 Ge3 23.8(13) 2_655 . . 3_655 ?
O4 Ge2 O2 Ge3 118.4(2) . . . 3_655 ?
O5 Ge2 O2 Ge3 -122.1(2) . . . 3_655 ?
O6 Ge2 O2 Ge3 -1.2(2) 2_655 . . 3_655 ?
O6B Ge1 O3 O3B 36(4) . . . . ?
O6 Ge1 O3 O3B 20(3) . . . . ?
O4 Ge1 O3 O3B 155(3) . . . . ?
O1 Ge1 O3 O3B -92(3) . . . . ?
O4B Ge1 O3 O3B 161(3) . . . . ?
O6B Ge1 O3 Si1 -29.8(12) . . . 10 ?
O3B Ge1 O3 Si1 -66(3) . . . 10 ?
O6 Ge1 O3 Si1 -46.0(4) . . . 10 ?
O4 Ge1 O3 Si1 89.1(4) . . . 10 ?
O1 Ge1 O3 Si1 -158.1(4) . . . 10 ?
O4B Ge1 O3 Si1 94.9(9) . . . 10 ?
O6B Ge1 O3 Ge1 -29.8(12) . . . 10 ?
O3B Ge1 O3 Ge1 -66(3) . . . 10 ?
O6 Ge1 O3 Ge1 -46.0(4) . . . 10 ?
O4 Ge1 O3 Ge1 89.1(4) . . . 10 ?
O1 Ge1 O3 Ge1 -158.1(4) . . . 10 ?
O4B Ge1 O3 Ge1 94.9(9) . . . 10 ?
O5B Ge2 O4 O4B -31(3) . . . . ?
O6B Ge2 O4 O4B -159(3) 2_655 . . . ?
O5 Ge2 O4 O4B -18(3) . . . . ?
O6 Ge2 O4 O4B -153(3) 2_655 . . . ?
O2 Ge2 O4 O4B 95(3) . . . . ?
O4B Ge2 O4 Ge1 62(3) . . . . ?
O5B Ge2 O4 Ge1 31.0(16) . . . . ?
O6B Ge2 O4 Ge1 -97.3(8) 2_655 . . . ?
O5 Ge2 O4 Ge1 44.0(4) . . . . ?
O6 Ge2 O4 Ge1 -91.1(4) 2_655 . . . ?
O2 Ge2 O4 Ge1 157.0(3) . . . . ?
O6B Ge1 O4 O4B 158(3) . . . . ?
O3 Ge1 O4 O4B 17(3) . . . . ?
O3B Ge1 O4 O4B 29(3) . . . . ?
O6 Ge1 O4 O4B 151(3) . . . . ?
O1 Ge1 O4 O4B -96(3) . . . . ?
O6B Ge1 O4 Ge2 97.5(8) . . . . ?
O3 Ge1 O4 Ge2 -43.0(4) . . . . ?
O3B Ge1 O4 Ge2 -31.1(16) . . . . ?
O6 Ge1 O4 Ge2 91.0(4) . . . . ?
O1 Ge1 O4 Ge2 -156.4(3) . . . . ?
O4B Ge1 O4 Ge2 -60(3) . . . . ?
O4B Ge2 O5 O5B -160(3) . . . . ?
O6B Ge2 O5 O5B -36(3) 2_655 . . . ?
O4 Ge2 O5 O5B -154(3) . . . . ?
O6 Ge2 O5 O5B -19(3) 2_655 . . . ?
O2 Ge2 O5 O5B 94(3) . . . . ?
O4B Ge2 O5 Si2 -98.2(9) . . . 10 ?
O5B Ge2 O5 Si2 62(3) . . . 10 ?
O6B Ge2 O5 Si2 26.0(13) 2_655 . . 10 ?
O4 Ge2 O5 Si2 -92.0(4) . . . 10 ?
O6 Ge2 O5 Si2 42.8(4) 2_655 . . 10 ?
O2 Ge2 O5 Si2 156.0(3) . . . 10 ?
O4B Ge2 O5 Ge2 -98.2(9) . . . 10 ?
O5B Ge2 O5 Ge2 62(3) . . . 10 ?
O6B Ge2 O5 Ge2 26.0(13) 2_655 . . 10 ?
O4 Ge2 O5 Ge2 -92.0(4) . . . 10 ?
O6 Ge2 O5 Ge2 42.8(4) 2_655 . . 10 ?
O2 Ge2 O5 Ge2 156.0(3) . . . 10 ?
O3 Ge1 O6 O6B 150.5(19) . . . . ?
O3B Ge1 O6 O6B 158(2) . . . . ?
O4 Ge1 O6 O6B 16(2) . . . . ?
O1 Ge1 O6 O6B -96.8(19) . . . . ?
O4B Ge1 O6 O6B 29(2) . . . . ?
O6B Ge1 O6 Si2 -56.4(19) . . . 2_655 ?
O3 Ge1 O6 Si2 94.0(3) . . . 2_655 ?
O3B Ge1 O6 Si2 101.1(11) . . . 2_655 ?
O4 Ge1 O6 Si2 -40.7(3) . . . 2_655 ?
O1 Ge1 O6 Si2 -153.2(3) . . . 2_655 ?
O4B Ge1 O6 Si2 -27.7(13) . . . 2_655 ?
O6B Ge1 O6 Ge2 -56.4(19) . . . 2_655 ?
O3 Ge1 O6 Ge2 94.0(3) . . . 2_655 ?
O3B Ge1 O6 Ge2 101.1(11) . . . 2_655 ?
O4 Ge1 O6 Ge2 -40.7(3) . . . 2_655 ?
O1 Ge1 O6 Ge2 -153.2(3) . . . 2_655 ?
O4B Ge1 O6 Ge2 -27.7(13) . . . 2_655 ?
N2 C2 C3 N2 180.000(8) . . . 2_665 ?
N2 C2 C3 N2 -90.000(9) 3_655 . . 2_665 ?
N2 C2 C3 N2 90.000(9) 4_565 . . 2_665 ?
C4 C2 C3 N2 6E1(10) . . . 2_665 ?
N1 C2 C3 N2 -60(3) 3_655 . . 2_665 ?
N1 C2 C3 N2 30(3) 2_665 . . 2_665 ?
N1 C2 C3 N2 -150(3) . . . 2_665 ?
N1 C2 C3 N2 120(3) 4_565 . . 2_665 ?
N2 C2 C3 N2 90.000(6) 2_665 . . 3_655 ?
N2 C2 C3 N2 -90.000(6) . . . 3_655 ?
N2 C2 C3 N2 180.000(5) 4_565 . . 3_655 ?
C4 C2 C3 N2 15E1(10) . . . 3_655 ?
N1 C2 C3 N2 30(3) 3_655 . . 3_655 ?
N1 C2 C3 N2 120(3) 2_665 . . 3_655 ?
N1 C2 C3 N2 -60(3) . . . 3_655 ?
N1 C2 C3 N2 -150(3) 4_565 . . 3_655 ?
N2 C2 C3 N2 -90.000(7) 2_665 . . 4_565 ?
N2 C2 C3 N2 90.000(6) . . . 4_565 ?
N2 C2 C3 N2 180.000(5) 3_655 . . 4_565 ?
C4 C2 C3 N2 -3E1(10) . . . 4_565 ?
N1 C2 C3 N2 -150(3) 3_655 . . 4_565 ?
N1 C2 C3 N2 -60(3) 2_665 . . 4_565 ?
N1 C2 C3 N2 120(3) . . . 4_565 ?
N1 C2 C3 N2 30(3) 4_565 . . 4_565 ?
N2 C2 C3 N2 180.000(9) 2_665 . . . ?
N2 C2 C3 N2 90.000(7) 3_655 . . . ?
N2 C2 C3 N2 -90.000(6) 4_565 . . . ?
C4 C2 C3 N2 -12E1(10) . . . . ?
N1 C2 C3 N2 120(3) 3_655 . . . ?
N1 C2 C3 N2 -150(3) 2_665 . . . ?
N1 C2 C3 N2 30(3) . . . . ?
N1 C2 C3 N2 -60(3) 4_565 . . . ?
N1 C1 C4 N1 180.0000(10) 4_565 . . 3_655 ?
N1 C1 C4 N1 90.000(9) 2_665 . . 3_655 ?
N1 C1 C4 N1 -90.000(8) . . . 3_655 ?
N1 C1 C4 N1 180.000(2) 3_655 . . 4_565 ?
N1 C1 C4 N1 -90.000(10) 2_665 . . 4_565 ?
N1 C1 C4 N1 90.000(7) . . . 4_565 ?
N1 C1 C4 N1 90.000(9) 4_565 . . 2_665 ?
N1 C1 C4 N1 -90.000(9) 3_655 . . 2_665 ?
N1 C1 C4 N1 180.000(12) . . . 2_665 ?
N1 C1 C4 N1 -90.000(8) 4_565 . . . ?
N1 C1 C4 N1 90.000(7) 3_655 . . . ?
N1 C1 C4 N1 180.000(10) 2_665 . . . ?
N1 C1 C4 C2 -12E1(10) 4_565 . . . ?
N1 C1 C4 C2 6E1(10) 3_655 . . . ?
N1 C1 C4 C2 15E1(10) 2_665 . . . ?
N1 C1 C4 C2 -3E1(10) . . . . ?
N1 C1 C4 N2 -60(3) 4_565 . . . ?
N1 C1 C4 N2 120(3) 3_655 . . . ?
N1 C1 C4 N2 -150(3) 2_665 . . . ?
N1 C1 C4 N2 30(3) . . . . ?
N1 C1 C4 N2 30(3) 4_565 . . 4_565 ?
N1 C1 C4 N2 -150(3) 3_655 . . 4_565 ?
N1 C1 C4 N2 -60(3) 2_665 . . 4_565 ?
N1 C1 C4 N2 120(3) . . . 4_565 ?
N1 C1 C4 N2 -150(3) 4_565 . . 3_655 ?
N1 C1 C4 N2 30(3) 3_655 . . 3_655 ?
N1 C1 C4 N2 120(3) 2_665 . . 3_655 ?
N1 C1 C4 N2 -60(3) . . . 3_655 ?
N1 C1 C4 N2 120(3) 4_565 . . 2_665 ?
N1 C1 C4 N2 -60(3) 3_655 . . 2_665 ?
N1 C1 C4 N2 30(3) 2_665 . . 2_665 ?
N1 C1 C4 N2 -150(3) . . . 2_665 ?
N2 C2 C4 N1 -60(3) 2_665 . . 3_655 ?
N2 C2 C4 N1 120(3) . . . 3_655 ?
N2 C2 C4 N1 30(3) 3_655 . . 3_655 ?
N2 C2 C4 N1 -150(3) 4_565 . . 3_655 ?
C3 C2 C4 N1 -12E1(10) . . . 3_655 ?
N1 C2 C4 N1 -90.000(9) 2_665 . . 3_655 ?
N1 C2 C4 N1 90.000(7) . . . 3_655 ?
N1 C2 C4 N1 180.000(2) 4_565 . . 3_655 ?
N2 C2 C4 N1 120(3) 2_665 . . 4_565 ?
N2 C2 C4 N1 -60(3) . . . 4_565 ?
N2 C2 C4 N1 -150(3) 3_655 . . 4_565 ?
N2 C2 C4 N1 30(3) 4_565 . . 4_565 ?
C3 C2 C4 N1 6E1(10) . . . 4_565 ?
N1 C2 C4 N1 180.000(2) 3_655 . . 4_565 ?
N1 C2 C4 N1 90.000(8) 2_665 . . 4_565 ?
N1 C2 C4 N1 -90.000(7) . . . 4_565 ?
N2 C2 C4 N1 30(3) 2_665 . . 2_665 ?
N2 C2 C4 N1 -150(3) . . . 2_665 ?
N2 C2 C4 N1 120(3) 3_655 . . 2_665 ?
N2 C2 C4 N1 -60(3) 4_565 . . 2_665 ?
C3 C2 C4 N1 -3E1(10) . . . 2_665 ?
N1 C2 C4 N1 90.000(9) 3_655 . . 2_665 ?
N1 C2 C4 N1 180.000(10) . . . 2_665 ?
N1 C2 C4 N1 -90.000(9) 4_565 . . 2_665 ?
N2 C2 C4 N1 -150(3) 2_665 . . . ?
N2 C2 C4 N1 30(3) . . . . ?
N2 C2 C4 N1 -60(3) 3_655 . . . ?
N2 C2 C4 N1 120(3) 4_565 . . . ?
C3 C2 C4 N1 15E1(10) . . . . ?
N1 C2 C4 N1 -90.000(7) 3_655 . . . ?
N1 C2 C4 N1 180.000(11) 2_665 . . . ?
N1 C2 C4 N1 90.000(8) 4_565 . . . ?
N2 C2 C4 C1 -12E1(10) 2_665 . . . ?
N2 C2 C4 C1 6E1(10) . . . . ?
N2 C2 C4 C1 -3E1(10) 3_655 . . . ?
N2 C2 C4 C1 15E1(10) 4_565 . . . ?
C3 C2 C4 C1 0E1(10) . . . . ?
N1 C2 C4 C1 -6E1(10) 3_655 . . . ?
N1 C2 C4 C1 -15E1(10) 2_665 . . . ?
N1 C2 C4 C1 3E1(10) . . . . ?
N1 C2 C4 C1 12E1(10) 4_565 . . . ?
N2 C2 C4 N2 180.000(9) 2_665 . . . ?
N2 C2 C4 N2 -90.000(9) 3_655 . . . ?
N2 C2 C4 N2 90.000(8) 4_565 . . . ?
C3 C2 C4 N2 12E1(10) . . . . ?
N1 C2 C4 N2 -120(3) 3_655 . . . ?
N1 C2 C4 N2 150(3) 2_665 . . . ?
N1 C2 C4 N2 -30(3) . . . . ?
N1 C2 C4 N2 60(3) 4_565 . . . ?
N2 C2 C4 N2 90.000(8) 2_665 . . 4_565 ?
N2 C2 C4 N2 -90.000(8) . . . 4_565 ?
N2 C2 C4 N2 180.000(6) 3_655 . . 4_565 ?
C3 C2 C4 N2 3E1(10) . . . 4_565 ?
N1 C2 C4 N2 150(3) 3_655 . . 4_565 ?
N1 C2 C4 N2 60(3) 2_665 . . 4_565 ?
N1 C2 C4 N2 -120(3) . . . 4_565 ?
N1 C2 C4 N2 -30(3) 4_565 . . 4_565 ?
N2 C2 C4 N2 -90.000(7) 2_665 . . 3_655 ?
N2 C2 C4 N2 90.000(6) . . . 3_655 ?
N2 C2 C4 N2 180.000(6) 4_565 . . 3_655 ?
C3 C2 C4 N2 -15E1(10) . . . 3_655 ?
N1 C2 C4 N2 -30(3) 3_655 . . 3_655 ?
N1 C2 C4 N2 -120(3) 2_665 . . 3_655 ?
N1 C2 C4 N2 60(3) . . . 3_655 ?
N1 C2 C4 N2 150(3) 4_565 . . 3_655 ?
N2 C2 C4 N2 180.000(11) . . . 2_665 ?
N2 C2 C4 N2 90.000(10) 3_655 . . 2_665 ?
N2 C2 C4 N2 -90.000(10) 4_565 . . 2_665 ?
C3 C2 C4 N2 -6E1(10) . . . 2_665 ?
N1 C2 C4 N2 60(3) 3_655 . . 2_665 ?
N1 C2 C4 N2 -30(3) 2_665 . . 2_665 ?
N1 C2 C4 N2 150(3) . . . 2_665 ?
N1 C2 C4 N2 -120(3) 4_565 . . 2_665 ?
N1 C4 N1 N1 170(5) 4_565 . . 3_655 ?
N1 C4 N1 N1 85(3) 2_665 . . 3_655 ?
C1 C4 N1 N1 -95(3) . . . 3_655 ?
C2 C4 N1 N1 85(3) . . . 3_655 ?
N2 C4 N1 N1 104(3) . . . 3_655 ?
N2 C4 N1 N1 114(4) 4_565 . . 3_655 ?
N2 C4 N1 N1 54(3) 3_655 . . 3_655 ?
N2 C4 N1 N1 68(2) 2_665 . . 3_655 ?
N1 C4 N1 N1 -170(5) 3_655 . . 4_565 ?
N1 C4 N1 N1 -85(3) 2_665 . . 4_565 ?
C1 C4 N1 N1 95(3) . . . 4_565 ?
C2 C4 N1 N1 -85(3) . . . 4_565 ?
N2 C4 N1 N1 -66(3) . . . 4_565 ?
N2 C4 N1 N1 -56(2) 4_565 . . 4_565 ?
N2 C4 N1 N1 -115(3) 3_655 . . 4_565 ?
N2 C4 N1 N1 -102(4) 2_665 . . 4_565 ?
N1 C4 N1 N2 -104(3) 3_655 . . . ?
N1 C4 N1 N2 66(3) 4_565 . . . ?
N1 C4 N1 N2 -19.0(19) 2_665 . . . ?
C1 C4 N1 N2 161.0(18) . . . . ?
C2 C4 N1 N2 -19.0(18) . . . . ?
N2 C4 N1 N2 10(3) 4_565 . . . ?
N2 C4 N1 N2 -49(2) 3_655 . . . ?
N2 C4 N1 N2 -36(4) 2_665 . . . ?
N1 C4 N1 N2 -54(3) 3_655 . . 3_655 ?
N1 C4 N1 N2 115(3) 4_565 . . 3_655 ?
N1 C4 N1 N2 30.3(14) 2_665 . . 3_655 ?
C1 C4 N1 N2 -149.7(14) . . . 3_655 ?
C2 C4 N1 N2 30.3(14) . . . 3_655 ?
N2 C4 N1 N2 49(2) . . . 3_655 ?
N2 C4 N1 N2 59(3) 4_565 . . 3_655 ?
N2 C4 N1 N2 13(2) 2_665 . . 3_655 ?
N1 C4 N1 C2 -85(3) 3_655 . . . ?
N1 C4 N1 C2 85(3) 4_565 . . . ?
N1 C4 N1 C2 0.00(5) 2_665 . . . ?
C1 C4 N1 C2 180.000(8) . . . . ?
N2 C4 N1 C2 19.0(18) . . . . ?
N2 C4 N1 C2 28.9(17) 4_565 . . . ?
N2 C4 N1 C2 -30.3(14) 3_655 . . . ?
N2 C4 N1 C2 -17.2(19) 2_665 . . . ?
N1 C4 N1 C1 95(3) 3_655 . . . ?
N1 C4 N1 C1 -95(3) 4_565 . . . ?
N1 C4 N1 C1 180.00(6) 2_665 . . . ?
C2 C4 N1 C1 180.000(11) . . . . ?
N2 C4 N1 C1 -161.0(18) . . . . ?
N2 C4 N1 C1 -151.1(17) 4_565 . . . ?
N2 C4 N1 C1 149.7(14) 3_655 . . . ?
N2 C4 N1 C1 162.8(19) 2_665 . . . ?
N1 C4 N1 N1 -85(3) 3_655 . . 2_665 ?
N1 C4 N1 N1 85(3) 4_565 . . 2_665 ?
C1 C4 N1 N1 180.00(9) . . . 2_665 ?
C2 C4 N1 N1 0.00(9) . . . 2_665 ?
N2 C4 N1 N1 19.0(19) . . . 2_665 ?
N2 C4 N1 N1 28.9(17) 4_565 . . 2_665 ?
N2 C4 N1 N1 -30.3(14) 3_655 . . 2_665 ?
N2 C4 N1 N1 -17.2(19) 2_665 . . 2_665 ?
N1 C4 N1 N2 -114(4) 3_655 . . 4_565 ?
N1 C4 N1 N2 56(2) 4_565 . . 4_565 ?
N1 C4 N1 N2 -28.9(17) 2_665 . . 4_565 ?
C1 C4 N1 N2 151.1(17) . . . 4_565 ?
C2 C4 N1 N2 -28.9(17) . . . 4_565 ?
N2 C4 N1 N2 -10(3) . . . 4_565 ?
N2 C4 N1 N2 -59(3) 3_655 . . 4_565 ?
N2 C4 N1 N2 -46(3) 2_665 . . 4_565 ?
N2 C2 N1 C4 34(4) 2_665 . . . ?
N2 C2 N1 C4 -144(4) . . . . ?
N2 C2 N1 C4 114(3) 3_655 . . . ?
N2 C2 N1 C4 -63(3) 4_565 . . . ?
C3 C2 N1 C4 180.000(14) . . . . ?
N1 C2 N1 C4 50.6(5) 3_655 . . . ?
N1 C2 N1 C4 0.000(10) 2_665 . . . ?
N1 C2 N1 C4 -50.6(5) 4_565 . . . ?
N2 C2 N1 N1 -17(3) 2_665 . . 3_655 ?
N2 C2 N1 N1 166(4) . . . 3_655 ?
N2 C2 N1 N1 63(3) 3_655 . . 3_655 ?
N2 C2 N1 N1 -114(3) 4_565 . . 3_655 ?
C3 C2 N1 N1 129.4(5) . . . 3_655 ?
C4 C2 N1 N1 -50.6(5) . . . 3_655 ?
N1 C2 N1 N1 -50.6(5) 2_665 . . 3_655 ?
N1 C2 N1 N1 -101.2(9) 4_565 . . 3_655 ?
N2 C2 N1 N1 85(4) 2_665 . . 4_565 ?
N2 C2 N1 N1 -93(4) . . . 4_565 ?
N2 C2 N1 N1 164(3) 3_655 . . 4_565 ?
N2 C2 N1 N1 -13(3) 4_565 . . 4_565 ?
C3 C2 N1 N1 -129.4(5) . . . 4_565 ?
C4 C2 N1 N1 50.6(5) . . . 4_565 ?
N1 C2 N1 N1 101.2(9) 3_655 . . 4_565 ?
N1 C2 N1 N1 50.6(5) 2_665 . . 4_565 ?
N2 C2 N1 N2 178(2) 2_665 . . . ?
N2 C2 N1 N2 -102(2) 3_655 . . . ?
N2 C2 N1 N2 80.7(13) 4_565 . . . ?
C3 C2 N1 N2 -36(4) . . . . ?
C4 C2 N1 N2 144(4) . . . . ?
N1 C2 N1 N2 -166(4) 3_655 . . . ?
N1 C2 N1 N2 144(4) 2_665 . . . ?
N1 C2 N1 N2 93(4) 4_565 . . . ?
N2 C2 N1 N2 -79.7(8) 2_665 . . 3_655 ?
N2 C2 N1 N2 102(2) . . . 3_655 ?
N2 C2 N1 N2 -177(3) 4_565 . . 3_655 ?
C3 C2 N1 N2 66(3) . . . 3_655 ?
C4 C2 N1 N2 -114(3) . . . 3_655 ?
N1 C2 N1 N2 -63(3) 3_655 . . 3_655 ?
N1 C2 N1 N2 -114(3) 2_665 . . 3_655 ?
N1 C2 N1 N2 -164(3) 4_565 . . 3_655 ?
N2 C2 N1 C1 34(4) 2_665 . . . ?
N2 C2 N1 C1 -144(4) . . . . ?
N2 C2 N1 C1 114(3) 3_655 . . . ?
N2 C2 N1 C1 -63(3) 4_565 . . . ?
C3 C2 N1 C1 180.000(10) . . . . ?
C4 C2 N1 C1 0.000(7) . . . . ?
N1 C2 N1 C1 50.6(5) 3_655 . . . ?
N1 C2 N1 C1 0.000(5) 2_665 . . . ?
N1 C2 N1 C1 -50.6(5) 4_565 . . . ?
N2 C2 N1 N1 34(4) 2_665 . . 2_665 ?
N2 C2 N1 N1 -144(4) . . . 2_665 ?
N2 C2 N1 N1 114(3) 3_655 . . 2_665 ?
N2 C2 N1 N1 -63(3) 4_565 . . 2_665 ?
C3 C2 N1 N1 180.000(10) . . . 2_665 ?
C4 C2 N1 N1 0.000(8) . . . 2_665 ?
N1 C2 N1 N1 50.6(5) 3_655 . . 2_665 ?
N1 C2 N1 N1 -50.6(5) 4_565 . . 2_665 ?
N2 C2 N1 N2 97(3) 2_665 . . 4_565 ?
N2 C2 N1 N2 -80.7(13) . . . 4_565 ?
N2 C2 N1 N2 177(3) 3_655 . . 4_565 ?
C3 C2 N1 N2 -117(3) . . . 4_565 ?
C4 C2 N1 N2 63(3) . . . 4_565 ?
N1 C2 N1 N2 114(3) 3_655 . . 4_565 ?
N1 C2 N1 N2 63(3) 2_665 . . 4_565 ?
N1 C2 N1 N2 13(3) 4_565 . . 4_565 ?
N1 C1 N1 C4 50.6(4) 4_565 . . . ?
N1 C1 N1 C4 -50.6(4) 3_655 . . . ?
N1 C1 N1 C4 0.000(11) 2_665 . . . ?
C4 C1 N1 N1 50.6(4) . . . 3_655 ?
N1 C1 N1 N1 101.2(9) 4_565 . . 3_655 ?
N1 C1 N1 N1 50.6(4) 2_665 . . 3_655 ?
C4 C1 N1 N1 -50.6(4) . . . 4_565 ?
N1 C1 N1 N1 -101.2(9) 3_655 . . 4_565 ?
N1 C1 N1 N1 -50.6(4) 2_665 . . 4_565 ?
C4 C1 N1 N2 -27(3) . . . . ?
N1 C1 N1 N2 23(3) 4_565 . . . ?
N1 C1 N1 N2 -78(2) 3_655 . . . ?
N1 C1 N1 N2 -27(3) 2_665 . . . ?
C4 C1 N1 N2 34.5(17) . . . 3_655 ?
N1 C1 N1 N2 85.1(15) 4_565 . . 3_655 ?
N1 C1 N1 N2 -16(2) 3_655 . . 3_655 ?
N1 C1 N1 N2 34.5(17) 2_665 . . 3_655 ?
C4 C1 N1 C2 0.000(7) . . . . ?
N1 C1 N1 C2 50.6(4) 4_565 . . . ?
N1 C1 N1 C2 -50.6(4) 3_655 . . . ?
N1 C1 N1 C2 0.000(5) 2_665 . . . ?
C4 C1 N1 N1 0.000(8) . . . 2_665 ?
N1 C1 N1 N1 50.6(4) 4_565 . . 2_665 ?
N1 C1 N1 N1 -50.6(4) 3_655 . . 2_665 ?
C4 C1 N1 N2 -22.6(12) . . . 4_565 ?
N1 C1 N1 N2 28.0(14) 4_565 . . 4_565 ?
N1 C1 N1 N2 -73.2(12) 3_655 . . 4_565 ?
N1 C1 N1 N2 -22.6(12) 2_665 . . 4_565 ?
N2 C2 N2 N2 -87(3) 2_665 . . 3_655 ?
N2 C2 N2 N2 -174(5) 4_565 . . 3_655 ?
C3 C2 N2 N2 93(3) . . . 3_655 ?
C4 C2 N2 N2 -87(3) . . . 3_655 ?
N1 C2 N2 N2 -56(2) 3_655 . . 3_655 ?
N1 C2 N2 N2 -106(4) 2_665 . . 3_655 ?
N1 C2 N2 N2 -67(3) . . . 3_655 ?
N1 C2 N2 N2 -119(3) 4_565 . . 3_655 ?
N2 C2 N2 N2 87(3) 2_665 . . 4_565 ?
N2 C2 N2 N2 174(5) 3_655 . . 4_565 ?
C3 C2 N2 N2 -93(3) . . . 4_565 ?
C4 C2 N2 N2 87(3) . . . 4_565 ?
N1 C2 N2 N2 118(4) 3_655 . . 4_565 ?
N1 C2 N2 N2 68(2) 2_665 . . 4_565 ?
N1 C2 N2 N2 107(3) . . . 4_565 ?
N1 C2 N2 N2 56(3) 4_565 . . 4_565 ?
N2 C2 N2 N1 -19.7(19) 2_665 . . . ?
N2 C2 N2 N1 67(3) 3_655 . . . ?
N2 C2 N2 N1 -107(3) 4_565 . . . ?
C3 C2 N2 N1 160.3(19) . . . . ?
C4 C2 N2 N1 -19.7(19) . . . . ?
N1 C2 N2 N1 11(3) 3_655 . . . ?
N1 C2 N2 N1 -38(4) 2_665 . . . ?
N1 C2 N2 N1 -51(2) 4_565 . . . ?
N2 C2 N2 N1 31.6(14) 2_665 . . 4_565 ?
N2 C2 N2 N1 119(3) 3_655 . . 4_565 ?
N2 C2 N2 N1 -56(3) 4_565 . . 4_565 ?
C3 C2 N2 N1 -148.4(13) . . . 4_565 ?
C4 C2 N2 N1 31.6(13) . . . 4_565 ?
N1 C2 N2 N1 62(3) 3_655 . . 4_565 ?
N1 C2 N2 N1 13(3) 2_665 . . 4_565 ?
N1 C2 N2 N1 51(2) . . . 4_565 ?
N2 C2 N2 C4 0.00(7) 2_665 . . . ?
N2 C2 N2 C4 87(3) 3_655 . . . ?
N2 C2 N2 C4 -87(3) 4_565 . . . ?
C3 C2 N2 C4 180.000(8) . . . . ?
N1 C2 N2 C4 30.7(17) 3_655 . . . ?
N1 C2 N2 C4 -19(2) 2_665 . . . ?
N1 C2 N2 C4 19.7(19) . . . . ?
N1 C2 N2 C4 -31.6(13) 4_565 . . . ?
N2 C2 N2 C3 180.00(10) 2_665 . . . ?
N2 C2 N2 C3 -93(3) 3_655 . . . ?
N2 C2 N2 C3 93(3) 4_565 . . . ?
C4 C2 N2 C3 180.000(6) . . . . ?
N1 C2 N2 C3 -149.3(17) 3_655 . . . ?
N1 C2 N2 C3 161(2) 2_665 . . . ?
N1 C2 N2 C3 -160.3(19) . . . . ?
N1 C2 N2 C3 148.4(13) 4_565 . . . ?
N2 C2 N2 N2 87(3) 3_655 . . 2_665 ?
N2 C2 N2 N2 -87(3) 4_565 . . 2_665 ?
C3 C2 N2 N2 180.00(12) . . . 2_665 ?
C4 C2 N2 N2 0.00(13) . . . 2_665 ?
N1 C2 N2 N2 30.7(17) 3_655 . . 2_665 ?
N1 C2 N2 N2 -19(2) 2_665 . . 2_665 ?
N1 C2 N2 N2 19.7(19) . . . 2_665 ?
N1 C2 N2 N2 -31.6(14) 4_565 . . 2_665 ?
N2 C2 N2 N1 -30.7(17) 2_665 . . 3_655 ?
N2 C2 N2 N1 56(2) 3_655 . . 3_655 ?
N2 C2 N2 N1 -118(4) 4_565 . . 3_655 ?
C3 C2 N2 N1 149.3(17) . . . 3_655 ?
C4 C2 N2 N1 -30.7(17) . . . 3_655 ?
N1 C2 N2 N1 -49(3) 2_665 . . 3_655 ?
N1 C2 N2 N1 -11(3) . . . 3_655 ?
N1 C2 N2 N1 -62(3) 4_565 . . 3_655 ?
C4 N1 N2 C2 31(3) . . . . ?
N1 N1 N2 C2 -13(3) 3_655 . . . ?
N1 N1 N2 C2 74(3) 4_565 . . . ?
N2 N1 N2 C2 -43.0(9) 3_655 . . . ?
C1 N1 N2 C2 52(5) . . . . ?
N1 N1 N2 C2 29(3) 2_665 . . . ?
N2 N1 N2 C2 43.7(10) 4_565 . . . ?
C4 N1 N2 N2 74(3) . . . 3_655 ?
N1 N1 N2 N2 30(3) 3_655 . . 3_655 ?
N1 N1 N2 N2 117(3) 4_565 . . 3_655 ?
C2 N1 N2 N2 43.0(9) . . . 3_655 ?
C1 N1 N2 N2 95(4) . . . 3_655 ?
N1 N1 N2 N2 72(3) 2_665 . . 3_655 ?
N2 N1 N2 N2 86.7(6) 4_565 . . 3_655 ?
C4 N1 N2 N2 -13(3) . . . 4_565 ?
N1 N1 N2 N2 -57(4) 3_655 . . 4_565 ?
N1 N1 N2 N2 30(3) 4_565 . . 4_565 ?
N2 N1 N2 N2 -86.7(7) 3_655 . . 4_565 ?
C2 N1 N2 N2 -43.7(10) . . . 4_565 ?
C1 N1 N2 N2 8(5) . . . 4_565 ?
N1 N1 N2 N2 -15(3) 2_665 . . 4_565 ?
C4 N1 N2 N1 -42.9(9) . . . 4_565 ?
N1 N1 N2 N1 -87.1(6) 3_655 . . 4_565 ?
N2 N1 N2 N1 -117(3) 3_655 . . 4_565 ?
C2 N1 N2 N1 -74(3) . . . 4_565 ?
C1 N1 N2 N1 -22(3) . . . 4_565 ?
N1 N1 N2 N1 -44.6(5) 2_665 . . 4_565 ?
N2 N1 N2 N1 -30(3) 4_565 . . 4_565 ?
N1 N1 N2 C4 -44.2(9) 3_655 . . . ?
N1 N1 N2 C4 42.9(9) 4_565 . . . ?
N2 N1 N2 C4 -74(3) 3_655 . . . ?
C2 N1 N2 C4 -31(3) . . . . ?
C1 N1 N2 C4 21(2) . . . . ?
N1 N1 N2 C4 -1.7(9) 2_665 . . . ?
N2 N1 N2 C4 13(3) 4_565 . . . ?
C4 N1 N2 C3 55(5) . . . . ?
N1 N1 N2 C3 11(5) 3_655 . . . ?
N1 N1 N2 C3 98(5) 4_565 . . . ?
N2 N1 N2 C3 -19(3) 3_655 . . . ?
C2 N1 N2 C3 24(3) . . . . ?
C1 N1 N2 C3 76(6) . . . . ?
N1 N1 N2 C3 54(5) 2_665 . . . ?
N2 N1 N2 C3 68(2) 4_565 . . . ?
C4 N1 N2 N2 30(3) . . . 2_665 ?
N1 N1 N2 N2 -14(3) 3_655 . . 2_665 ?
N1 N1 N2 N2 73(3) 4_565 . . 2_665 ?
N2 N1 N2 N2 -44.0(4) 3_655 . . 2_665 ?
C2 N1 N2 N2 -1.0(9) . . . 2_665 ?
C1 N1 N2 N2 51(4) . . . 2_665 ?
N1 N1 N2 N2 28(3) 2_665 . . 2_665 ?
N2 N1 N2 N2 42.7(5) 4_565 . . 2_665 ?
C4 N1 N2 N1 44.2(9) . . . 3_655 ?
N1 N1 N2 N1 87.1(6) 4_565 . . 3_655 ?
N2 N1 N2 N1 -30(3) 3_655 . . 3_655 ?
C2 N1 N2 N1 13(3) . . . 3_655 ?
C1 N1 N2 N1 65(2) . . . 3_655 ?
N1 N1 N2 N1 42.5(5) 2_665 . . 3_655 ?
N2 N1 N2 N1 57(4) 4_565 . . 3_655 ?
N1 C4 N2 C2 -62(3) 3_655 . . . ?
N1 C4 N2 C2 113(3) 4_565 . . . ?
N1 C4 N2 C2 33(3) 2_665 . . . ?
N1 C4 N2 C2 -144(4) . . . . ?
C1 C4 N2 C2 180.000(8) . . . . ?
N2 C4 N2 C2 50.0(5) 4_565 . . . ?
N2 C4 N2 C2 -50.0(5) 3_655 . . . ?
N2 C4 N2 C2 0.000(7) 2_665 . . . ?
N1 C4 N2 N2 -12(3) 3_655 . . 3_655 ?
N1 C4 N2 N2 163(3) 4_565 . . 3_655 ?
N1 C4 N2 N2 83(4) 2_665 . . 3_655 ?
N1 C4 N2 N2 -94(4) . . . 3_655 ?
C1 C4 N2 N2 -130.0(5) . . . 3_655 ?
C2 C4 N2 N2 50.0(5) . . . 3_655 ?
N2 C4 N2 N2 100.1(9) 4_565 . . 3_655 ?
N2 C4 N2 N2 50.0(5) 2_665 . . 3_655 ?
N1 C4 N2 N2 -112(3) 3_655 . . 4_565 ?
N1 C4 N2 N2 63(3) 4_565 . . 4_565 ?
N1 C4 N2 N2 -17(3) 2_665 . . 4_565 ?
N1 C4 N2 N2 166(4) . . . 4_565 ?
C1 C4 N2 N2 130.0(5) . . . 4_565 ?
C2 C4 N2 N2 -50.0(5) . . . 4_565 ?
N2 C4 N2 N2 -100.1(9) 3_655 . . 4_565 ?
N2 C4 N2 N2 -50.0(5) 2_665 . . 4_565 ?
N1 C4 N2 N1 81.9(13) 3_655 . . . ?
N1 C4 N2 N1 -103(2) 4_565 . . . ?
N1 C4 N2 N1 176.3(18) 2_665 . . . ?
C1 C4 N2 N1 -36(4) . . . . ?
C2 C4 N2 N1 144(4) . . . . ?
N2 C4 N2 N1 -166(4) 4_565 . . . ?
N2 C4 N2 N1 94(4) 3_655 . . . ?
N2 C4 N2 N1 144(4) 2_665 . . . ?
N1 C4 N2 N1 -175(3) 3_655 . . 4_565 ?
N1 C4 N2 N1 -80.3(8) 2_665 . . 4_565 ?
N1 C4 N2 N1 103(2) . . . 4_565 ?
C1 C4 N2 N1 67(3) . . . 4_565 ?
C2 C4 N2 N1 -113(3) . . . 4_565 ?
N2 C4 N2 N1 -63(3) 4_565 . . 4_565 ?
N2 C4 N2 N1 -163(3) 3_655 . . 4_565 ?
N2 C4 N2 N1 -113(3) 2_665 . . 4_565 ?
N1 C4 N2 C3 -62(3) 3_655 . . . ?
N1 C4 N2 C3 113(3) 4_565 . . . ?
N1 C4 N2 C3 33(3) 2_665 . . . ?
N1 C4 N2 C3 -144(4) . . . . ?
C1 C4 N2 C3 180.000(6) . . . . ?
C2 C4 N2 C3 0.000(8) . . . . ?
N2 C4 N2 C3 50.0(5) 4_565 . . . ?
N2 C4 N2 C3 -50.0(5) 3_655 . . . ?
N2 C4 N2 C3 0.000(4) 2_665 . . . ?
N1 C4 N2 N2 -62(3) 3_655 . . 2_665 ?
N1 C4 N2 N2 113(3) 4_565 . . 2_665 ?
N1 C4 N2 N2 33(3) 2_665 . . 2_665 ?
N1 C4 N2 N2 -144(4) . . . 2_665 ?
C1 C4 N2 N2 180.000(8) . . . 2_665 ?
C2 C4 N2 N2 0.000(7) . . . 2_665 ?
N2 C4 N2 N2 50.0(5) 4_565 . . 2_665 ?
N2 C4 N2 N2 -50.0(5) 3_655 . . 2_665 ?
N1 C4 N2 N1 175(3) 4_565 . . 3_655 ?
N1 C4 N2 N1 94(3) 2_665 . . 3_655 ?
N1 C4 N2 N1 -81.9(12) . . . 3_655 ?
C1 C4 N2 N1 -118(3) . . . 3_655 ?
C2 C4 N2 N1 62(3) . . . 3_655 ?
N2 C4 N2 N1 112(3) 4_565 . . 3_655 ?
N2 C4 N2 N1 12(3) 3_655 . . 3_655 ?
N2 C4 N2 N1 62(3) 2_665 . . 3_655 ?
N2 C3 N2 C2 0.000(7) 2_665 . . . ?
N2 C3 N2 C2 50.0(4) 3_655 . . . ?
N2 C3 N2 C2 -50.0(4) 4_565 . . . ?
C2 C3 N2 N2 -50.0(4) . . . 3_655 ?
N2 C3 N2 N2 -50.0(4) 2_665 . . 3_655 ?
N2 C3 N2 N2 -100.0(9) 4_565 . . 3_655 ?
C2 C3 N2 N2 50.0(5) . . . 4_565 ?
N2 C3 N2 N2 50.0(5) 2_665 . . 4_565 ?
N2 C3 N2 N2 100.0(9) 3_655 . . 4_565 ?
C2 C3 N2 N1 -31(3) . . . . ?
N2 C3 N2 N1 -31(3) 2_665 . . . ?
N2 C3 N2 N1 19(3) 3_655 . . . ?
N2 C3 N2 N1 -81(3) 4_565 . . . ?
C2 C3 N2 N1 37.1(18) . . . 4_565 ?
N2 C3 N2 N1 37.1(18) 2_665 . . 4_565 ?
N2 C3 N2 N1 87.1(16) 3_655 . . 4_565 ?
N2 C3 N2 N1 -13(2) 4_565 . . 4_565 ?
C2 C3 N2 C4 0.000(9) . . . . ?
N2 C3 N2 C4 0.000(5) 2_665 . . . ?
N2 C3 N2 C4 50.0(5) 3_655 . . . ?
N2 C3 N2 C4 -50.0(4) 4_565 . . . ?
C2 C3 N2 N2 0.000(9) . . . 2_665 ?
N2 C3 N2 N2 50.0(5) 3_655 . . 2_665 ?
N2 C3 N2 N2 -50.0(4) 4_565 . . 2_665 ?
C2 C3 N2 N1 -23.6(13) . . . 3_655 ?
N2 C3 N2 N1 -23.6(13) 2_665 . . 3_655 ?
N2 C3 N2 N1 26.4(15) 3_655 . . 3_655 ?
N2 C3 N2 N1 -73.6(12) 4_565 . . 3_655 ?
Si1 O3 O3B Ge1 136.1(11) 10 . . . ?
Ge1 O3 O3B Ge1 136.1(11) 10 . . . ?
Ge1 O3 O3B Si1 0 10 . . 10 ?
Ge1 O3 O3B Si1 -136.1(11) . . . 10 ?
Si1 O3 O3B Ge1 0 10 . . 10 ?
Ge1 O3 O3B Ge1 -136.1(11) . . . 10 ?
O6B Ge1 O3B O3 -152(3) . . . . ?
O6 Ge1 O3B O3 -162(3) . . . . ?
O4 Ge1 O3B O3 -32(4) . . . . ?
O1 Ge1 O3B O3 93(3) . . . . ?
O4B Ge1 O3B O3 -21(4) . . . . ?
O6B Ge1 O3B Si1 -86(3) . . . 10 ?
O3 Ge1 O3B Si1 65(3) . . . 10 ?
O6 Ge1 O3B Si1 -96(3) . . . 10 ?
O4 Ge1 O3B Si1 34(4) . . . 10 ?
O1 Ge1 O3B Si1 159(3) . . . 10 ?
O4B Ge1 O3B Si1 44(3) . . . 10 ?
O6B Ge1 O3B Ge1 -86(3) . . . 10 ?
O3 Ge1 O3B Ge1 65(3) . . . 10 ?
O6 Ge1 O3B Ge1 -96(3) . . . 10 ?
O4 Ge1 O3B Ge1 34(4) . . . 10 ?
O1 Ge1 O3B Ge1 159(3) . . . 10 ?
O4B Ge1 O3B Ge1 44(3) . . . 10 ?
Ge1 O4 O4B Ge2 -139.8(9) . . . . ?
Ge2 O4 O4B Ge1 139.8(9) . . . . ?
O5B Ge2 O4B O4 156(3) . . . . ?
O6B Ge2 O4B O4 22(3) 2_655 . . . ?
O5 Ge2 O4B O4 164(3) . . . . ?
O6 Ge2 O4B O4 34(3) 2_655 . . . ?
O2 Ge2 O4B O4 -90(3) . . . . ?
O5B Ge2 O4B Ge1 88(3) . . . . ?
O6B Ge2 O4B Ge1 -45(3) 2_655 . . . ?
O4 Ge2 O4B Ge1 -67(3) . . . . ?
O5 Ge2 O4B Ge1 97(3) . . . . ?
O6 Ge2 O4B Ge1 -33(4) 2_655 . . . ?
O2 Ge2 O4B Ge1 -157(3) . . . . ?
O6B Ge1 O4B O4 -24(3) . . . . ?
O3 Ge1 O4B O4 -164(2) . . . . ?
O3B Ge1 O4B O4 -157(2) . . . . ?
O6 Ge1 O4B O4 -36(3) . . . . ?
O1 Ge1 O4B O4 89(3) . . . . ?
O6B Ge1 O4B Ge2 45(3) . . . . ?
O3 Ge1 O4B Ge2 -96(3) . . . . ?
O3B Ge1 O4B Ge2 -88(3) . . . . ?
O6 Ge1 O4B Ge2 33(4) . . . . ?
O4 Ge1 O4B Ge2 69(3) . . . . ?
O1 Ge1 O4B Ge2 158(3) . . . . ?
Ge2 O5 O5B Si2 0 10 . . 10 ?
Ge2 O5 O5B Si2 136.5(12) . . . 10 ?
Si2 O5 O5B Ge2 0 10 . . 10 ?
Ge2 O5 O5B Ge2 136.5(12) . . . 10 ?
Si2 O5 O5B Ge2 -136.5(12) 10 . . . ?
Ge2 O5 O5B Ge2 -136.5(12) 10 . . . ?
O4B Ge2 O5B O5 22(3) . . . . ?
O6B Ge2 O5B O5 153(3) 2_655 . . . ?
O4 Ge2 O5B O5 34(4) . . . . ?
O6 Ge2 O5B O5 163(3) 2_655 . . . ?
O2 Ge2 O5B O5 -92(3) . . . . ?
O4B Ge2 O5B Si2 -46(4) . . . 10 ?
O6B Ge2 O5B Si2 85(3) 2_655 . . 10 ?
O4 Ge2 O5B Si2 -34(4) . . . 10 ?
O5 Ge2 O5B Si2 -68(4) . . . 10 ?
O6 Ge2 O5B Si2 95(3) 2_655 . . 10 ?
O2 Ge2 O5B Si2 -160(3) . . . 10 ?
O4B Ge2 O5B Ge2 -46(4) . . . 10 ?
O6B Ge2 O5B Ge2 85(3) 2_655 . . 10 ?
O4 Ge2 O5B Ge2 -34(4) . . . 10 ?
O5 Ge2 O5B Ge2 -68(4) . . . 10 ?
O6 Ge2 O5B Ge2 95(3) 2_655 . . 10 ?
O2 Ge2 O5B Ge2 -160(3) . . . 10 ?
Si2 O6 O6B Ge1 140.5(8) 2_655 . . . ?
Ge2 O6 O6B Ge1 140.5(8) 2_655 . . . ?
Ge1 O6 O6B Si2 -140.5(8) . . . 2_655 ?
Ge2 O6 O6B Si2 0 2_655 . . 2_655 ?
Ge1 O6 O6B Ge2 -140.5(8) . . . 2_655 ?
Si2 O6 O6B Ge2 0 2_655 . . 2_655 ?
O3 Ge1 O6B O6 -39(2) . . . . ?
O3B Ge1 O6B O6 -25(2) . . . . ?
O4 Ge1 O6B O6 -165.8(18) . . . . ?
O1 Ge1 O6B O6 89.6(18) . . . . ?
O4B Ge1 O6B O6 -157.8(18) . . . . ?
O3 Ge1 O6B Si2 25(4) . . . 2_655 ?
O3B Ge1 O6B Si2 38(3) . . . 2_655 ?
O6 Ge1 O6B Si2 63(3) . . . 2_655 ?
O4 Ge1 O6B Si2 -103(3) . . . 2_655 ?
O1 Ge1 O6B Si2 153(2) . . . 2_655 ?
O4B Ge1 O6B Si2 -95(3) . . . 2_655 ?
O3 Ge1 O6B Ge2 25(4) . . . 2_655 ?
O3B Ge1 O6B Ge2 38(3) . . . 2_655 ?
O6 Ge1 O6B Ge2 63(3) . . . 2_655 ?
O4 Ge1 O6B Ge2 -103(3) . . . 2_655 ?
O1 Ge1 O6B Ge2 153(2) . . . 2_655 ?
O4B Ge1 O6B Ge2 -95(3) . . . 2_655 ?

# END of CIF