# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2002

data_global

_publ_contact_author               
;
L\"onnecke, Peter
Institut f\"ur Anorganische Chemie
Universit\"at Leipzig
Johannisallee 29
04103 Leipzig
Bundesrepublik Deutschland
;
_publ_contact_author_phone   '49 / 341 / 9736130'
_publ_contact_author_fax     '49 / 341 / 9736199'
_publ_contact_author_email   loenneck@server1.rz.uni-leipzig.de
_publ_requested_journal   
;
New Journal of Chemistry
; 
#-------------------------------------------------------------------------------
_publ_section_title
;
Diaminocarbene Homologues: Synthesis and Crystal
Structure of the First Diaminogermylene LiCl Adduct Displaying an
Electrophilic Germanium Centre
;

loop_
_publ_author_name
_publ_author_address
;
K\"uhl, Olaf
;
;        
Institut f\"ur Chemie und Biochemie
Ernst-Moritz-Arndt-Universit\"at Greifswald
Soldmannstrasse 16
17487 Greifswald
Bundesrepublik Deutschland
;
;
L\"onnecke, Peter
;
;        
Institut f\"ur Anorganische Chemie
Universit\"at Leipzig
Johannisallee 29
04103 Leipzig
Bundesrepublik Deutschland
;
;
Heinicke, Joachim
;
;        
Institut f\"ur Chemie und Biochemie
Ernst-Moritz-Arndt-Universit\"at Greifswald
Soldmannstrasse 16
17487 Greifswald
Bundesrepublik Deutschland
;

_journal_name_full      'New Journal of Chemistry'
_journal_volume         ?
_journal_page_first     ?
_journal_page_last      ?
_journal_year           ?

#------------------------------------------------------------------------------#
#                               DATA BLOCK                                     #
#------------------------------------------------------------------------------#

data_c941_fin

_database_code_CSD                166031
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
'C46 H58 Cl Ge Li N6 O2'
_chemical_formula_weight          841.96

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
'Ge'  'Ge'   0.1547   1.8001
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'Cl'  'Cl'   0.1484   0.1585
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'O'  'O'   0.0106   0.0060
'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'
'C'  'C'   0.0033   0.0016
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'Li'  'Li'  -0.0003   0.0001
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'H'  'H'   0.0000   0.0000
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting            Triclinic
_symmetry_space_group_name_H-M    P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                    10.5995(11)
_cell_length_b                    13.3972(14)
_cell_length_c                    17.4350(19)
_cell_angle_alpha                 71.240(2)
_cell_angle_beta                  72.668(2)
_cell_angle_gamma                 89.640(2)
_cell_volume                      2226.9(4)
_cell_formula_units_Z             2
_cell_measurement_temperature     218(2)
_cell_measurement_reflns_used     4477
_cell_measurement_theta_min       1.30
_cell_measurement_theta_max       26.37

_exptl_crystal_description        prism
_exptl_crystal_colour             orange
_exptl_crystal_size_max           0.20
_exptl_crystal_size_mid           0.10
_exptl_crystal_size_min           0.05
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.256
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              888
_exptl_absorpt_coefficient_mu     0.791
_exptl_absorpt_correction_type    SADABS
_exptl_absorpt_correction_T_min   0.8578
_exptl_absorpt_correction_T_max   0.9615
_exptl_absorpt_process_details    ?

_exptl_special_details
;
?
;

_diffrn_ambient_temperature       218(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   'CCD area detector'
_diffrn_measurement_method        'phi and omega scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             13411
_diffrn_reflns_av_R_equivalents   0.0495
_diffrn_reflns_av_sigmaI/netI     0.1541
_diffrn_reflns_limit_h_min        -13
_diffrn_reflns_limit_h_max        11
_diffrn_reflns_limit_k_min        -16
_diffrn_reflns_limit_k_max        16
_diffrn_reflns_limit_l_min        -21
_diffrn_reflns_limit_l_max        14
_diffrn_reflns_theta_min          1.30
_diffrn_reflns_theta_max          26.37
_reflns_number_total              8959
_reflns_number_gt                 4477
_reflns_threshold_expression      >2sigma(I)

_computing_data_collection        'Bruker SMART'
_computing_cell_refinement        'Bruker SAINT'
_computing_data_reduction         'Bruker SAINT'
_computing_structure_solution     'DIRDIF-96 (P. T. Beurskens, Nijmegen)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material   ?

_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^)+(0.0402P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          8959
_refine_ls_number_parameters      523
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.1298
_refine_ls_R_factor_gt            0.0530
_refine_ls_wR_factor_ref          0.1123
_refine_ls_wR_factor_gt           0.0920
_refine_ls_goodness_of_fit_ref    0.882
_refine_ls_restrained_S_all       0.882
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000

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 0.13068(4) 0.26589(3) 0.09357(3) 0.03504(14) Uani 1 1 d . . .
Cl1 Cl 0.02422(9) 0.15827(8) 0.23332(6) 0.0420(3) Uani 1 1 d . . .
O1 O 0.1354(2) -0.0071(2) 0.45517(15) 0.0411(7) Uani 1 1 d . . .
O2 O 0.4323(2) 0.02067(19) 0.43863(16) 0.0386(7) Uani 1 1 d . . .
N1 N 0.3140(3) 0.0149(2) 0.26443(17) 0.0268(7) Uani 1 1 d . . .
N2 N 0.2598(3) -0.0209(2) 0.12610(19) 0.0348(8) Uani 1 1 d . . .
N3 N 0.2956(3) 0.2174(2) 0.32152(18) 0.0298(7) Uani 1 1 d . . .
N4 N 0.1615(3) 0.3942(2) 0.26039(19) 0.0350(8) Uani 1 1 d . . .
N5 N 0.2638(3) 0.1655(2) 0.06368(18) 0.0327(8) Uani 1 1 d . . .
N6 N 0.2269(3) 0.3683(2) 0.12653(18) 0.0311(8) Uani 1 1 d . . .
C1 C 0.2801(4) -0.0865(3) 0.2679(2) 0.0303(9) Uani 1 1 d . . .
C2 C 0.2693(4) -0.1738(3) 0.3413(2) 0.0419(11) Uani 1 1 d . . .
H2 H 0.2754 -0.1628 0.3908 0.050 Uiso 1 1 calc R . .
C3 C 0.2499(4) -0.2742(3) 0.3413(3) 0.0505(12) Uani 1 1 d . . .
H3 H 0.2408 -0.3322 0.3911 0.061 Uiso 1 1 calc R . .
C4 C 0.2437(4) -0.2911(3) 0.2681(3) 0.0501(12) Uani 1 1 d . . .
H4 H 0.2351 -0.3607 0.2677 0.060 Uiso 1 1 calc R . .
C5 C 0.2498(4) -0.2081(3) 0.1968(3) 0.0450(11) Uani 1 1 d . . .
H5 H 0.2438 -0.2208 0.1480 0.054 Uiso 1 1 calc R . .
C6 C 0.2650(4) -0.1035(3) 0.1957(2) 0.0329(10) Uani 1 1 d . . .
C7 C 0.2778(3) 0.0772(3) 0.1265(2) 0.0291(9) Uani 1 1 d . . .
C8 C 0.3192(3) 0.0932(3) 0.1943(2) 0.0280(9) Uani 1 1 d . . .
C9 C 0.2301(3) 0.2718(3) 0.3745(2) 0.0287(9) Uani 1 1 d . . .
C10 C 0.2350(4) 0.2424(3) 0.4584(2) 0.0398(10) Uani 1 1 d . . .
H10 H 0.2806 0.1845 0.4790 0.048 Uiso 1 1 calc R . .
C11 C 0.1735(4) 0.2979(3) 0.5103(2) 0.0497(12) Uani 1 1 d . . .
H11 H 0.1764 0.2775 0.5665 0.060 Uiso 1 1 calc R . .
C12 C 0.1074(5) 0.3837(4) 0.4806(3) 0.0584(13) Uani 1 1 d . . .
H12 H 0.0659 0.4214 0.5168 0.070 Uiso 1 1 calc R . .
C13 C 0.1018(4) 0.4145(3) 0.3993(3) 0.0498(12) Uani 1 1 d . . .
H13 H 0.0553 0.4726 0.3803 0.060 Uiso 1 1 calc R . .
C14 C 0.1651(4) 0.3600(3) 0.3430(2) 0.0349(10) Uani 1 1 d . . .
C15 C 0.2248(4) 0.3418(3) 0.2097(2) 0.0306(9) Uani 1 1 d . . .
C16 C 0.2957(3) 0.2520(3) 0.2423(2) 0.0263(9) Uani 1 1 d . . .
C17 C 0.3804(3) 0.2008(3) 0.1817(2) 0.0255(9) Uani 1 1 d . . .
H17 H 0.3858 0.2466 0.1234 0.031 Uiso 1 1 calc R . .
C18 C 0.5236(3) 0.1959(3) 0.1857(2) 0.0339(10) Uani 1 1 d . . .
H18A H 0.5594 0.2663 0.1798 0.041 Uiso 1 1 calc R . .
H18B H 0.5231 0.1470 0.2414 0.041 Uiso 1 1 calc R . .
C19 C 0.6130(4) 0.1592(3) 0.1155(3) 0.0468(11) Uani 1 1 d . . .
H19A H 0.5872 0.0841 0.1281 0.056 Uiso 1 1 calc R . .
H19B H 0.5989 0.1990 0.0612 0.056 Uiso 1 1 calc R . .
C20 C 0.7596(4) 0.1737(3) 0.1060(3) 0.0721(16) Uani 1 1 d . . .
H20A H 0.7882 0.2487 0.0875 0.108 Uiso 1 1 calc R . .
H20B H 0.8108 0.1438 0.0640 0.108 Uiso 1 1 calc R . .
H20C H 0.7736 0.1380 0.1604 0.108 Uiso 1 1 calc R . .
C21 C 0.2733(4) 0.1566(3) -0.0222(2) 0.0421(11) Uani 1 1 d . . .
C22 C 0.3966(4) 0.1018(3) -0.0529(3) 0.0547(13) Uani 1 1 d . . .
H22A H 0.4730 0.1342 -0.0468 0.082 Uiso 1 1 calc R . .
H22B H 0.4125 0.1095 -0.1123 0.082 Uiso 1 1 calc R . .
H22C H 0.3821 0.0272 -0.0189 0.082 Uiso 1 1 calc R . .
C23 C 0.1485(4) 0.0978(4) -0.0198(3) 0.0606(13) Uani 1 1 d . . .
H23A H 0.1367 0.0262 0.0200 0.091 Uiso 1 1 calc R . .
H23B H 0.1576 0.0955 -0.0763 0.091 Uiso 1 1 calc R . .
H23C H 0.0719 0.1344 -0.0018 0.091 Uiso 1 1 calc R . .
C24 C 0.2965(5) 0.2698(3) -0.0866(2) 0.0631(14) Uani 1 1 d . . .
H24A H 0.2169 0.3055 -0.0740 0.095 Uiso 1 1 calc R . .
H24B H 0.3172 0.2667 -0.1438 0.095 Uiso 1 1 calc R . .
H24C H 0.3699 0.3084 -0.0826 0.095 Uiso 1 1 calc R . .
C25 C 0.2100(4) 0.4826(3) 0.0802(2) 0.0399(11) Uani 1 1 d . . .
C26 C 0.2583(4) 0.4980(3) -0.0145(2) 0.0544(13) Uani 1 1 d . . .
H26A H 0.3483 0.4784 -0.0300 0.082 Uiso 1 1 calc R . .
H26B H 0.2567 0.5717 -0.0469 0.082 Uiso 1 1 calc R . .
H26C H 0.2006 0.4538 -0.0271 0.082 Uiso 1 1 calc R . .
C27 C 0.0659(4) 0.5086(3) 0.1063(3) 0.0595(14) Uani 1 1 d . . .
H27A H 0.0106 0.4634 0.0930 0.089 Uiso 1 1 calc R . .
H27B H 0.0607 0.5822 0.0754 0.089 Uiso 1 1 calc R . .
H27C H 0.0352 0.4967 0.1671 0.089 Uiso 1 1 calc R . .
C28 C 0.3009(5) 0.5569(3) 0.0962(3) 0.0632(14) Uani 1 1 d . . .
H28A H 0.2701 0.5513 0.1558 0.095 Uiso 1 1 calc R . .
H28B H 0.2992 0.6293 0.0610 0.095 Uiso 1 1 calc R . .
H28C H 0.3909 0.5372 0.0819 0.095 Uiso 1 1 calc R . .
C29 C 0.0271(4) -0.0312(3) 0.4289(2) 0.0459(11) Uani 1 1 d . . .
H29A H -0.0016 -0.1072 0.4552 0.055 Uiso 1 1 calc R . .
H29B H 0.0570 -0.0144 0.3668 0.055 Uiso 1 1 calc R . .
C30 C 0.0884(4) -0.0302(3) 0.5464(2) 0.0470(12) Uani 1 1 d . . .
H30A H 0.1606 -0.0117 0.5653 0.056 Uiso 1 1 calc R . .
H30B H 0.0611 -0.1062 0.5749 0.056 Uiso 1 1 calc R . .
C31 C 0.4398(4) -0.0856(3) 0.4904(2) 0.0385(10) Uani 1 1 d . . .
H31A H 0.5164 -0.1146 0.4602 0.046 Uiso 1 1 calc R . .
H31B H 0.3595 -0.1301 0.5006 0.046 Uiso 1 1 calc R . .
C32 C 0.5467(4) 0.0877(3) 0.4257(2) 0.0402(10) Uani 1 1 d . . .
H32A H 0.5389 0.1604 0.3921 0.048 Uiso 1 1 calc R . .
H32B H 0.6264 0.0638 0.3936 0.048 Uiso 1 1 calc R . .
C33 C 0.5925(6) 0.4194(4) 0.3173(4) 0.0709(15) Uani 1 1 d . . .
C34 C 0.5566(6) 0.4113(4) 0.4023(4) 0.0814(17) Uani 1 1 d . . .
H34 H 0.4762 0.4356 0.4266 0.098 Uiso 1 1 calc R . .
C35 C 0.6332(7) 0.3697(5) 0.4509(4) 0.0903(19) Uani 1 1 d . . .
H35 H 0.6039 0.3626 0.5090 0.108 Uiso 1 1 calc R . .
C36 C 0.7530(7) 0.3375(4) 0.4172(5) 0.0911(19) Uani 1 1 d . . .
H36 H 0.8084 0.3131 0.4513 0.109 Uiso 1 1 calc R . .
C37 C 0.7929(6) 0.3402(4) 0.3357(5) 0.0851(18) Uani 1 1 d . . .
H37 H 0.8740 0.3151 0.3135 0.102 Uiso 1 1 calc R . .
C38 C 0.7135(7) 0.3804(4) 0.2845(4) 0.0824(17) Uani 1 1 d . . .
H38 H 0.7405 0.3817 0.2277 0.099 Uiso 1 1 calc R . .
C39 C 0.5083(6) 0.4693(5) 0.2645(4) 0.117(2) Uani 1 1 d . . .
H39A H 0.5499 0.5391 0.2264 0.175 Uiso 1 1 calc R . .
H39B H 0.4219 0.4759 0.3011 0.175 Uiso 1 1 calc R . .
H39C H 0.4978 0.4259 0.2314 0.175 Uiso 1 1 calc R . .
C40 C 0.1808(5) 0.2698(4) 0.7235(3) 0.0558(13) Uani 1 1 d . . .
C41 C 0.1122(5) 0.1738(4) 0.7470(3) 0.0630(14) Uani 1 1 d . . .
H41 H 0.0189 0.1673 0.7658 0.076 Uiso 1 1 calc R . .
C42 C 0.1801(8) 0.0841(4) 0.7433(3) 0.0853(19) Uani 1 1 d . . .
H42 H 0.1336 0.0172 0.7596 0.102 Uiso 1 1 calc R . .
C43 C 0.3171(8) 0.0971(5) 0.7150(4) 0.0863(19) Uani 1 1 d . . .
H43 H 0.3657 0.0387 0.7127 0.104 Uiso 1 1 calc R . .
C44 C 0.3807(6) 0.1945(6) 0.6908(3) 0.0878(18) Uani 1 1 d . . .
H44 H 0.4740 0.2027 0.6711 0.105 Uiso 1 1 calc R . .
C45 C 0.3162(6) 0.2791(5) 0.6937(3) 0.0706(15) Uani 1 1 d . . .
H45 H 0.3640 0.3459 0.6753 0.085 Uiso 1 1 calc R . .
C46 C 0.1146(7) 0.3664(5) 0.7262(4) 0.131(3) Uani 1 1 d . . .
H46A H 0.0367 0.3662 0.7079 0.197 Uiso 1 1 calc R . .
H46B H 0.1755 0.4283 0.6884 0.197 Uiso 1 1 calc R . .
H46C H 0.0882 0.3681 0.7839 0.197 Uiso 1 1 calc R . .
Li1 Li 0.3094(6) 0.0573(5) 0.3710(4) 0.0340(16) Uani 1 1 d . . .

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 0.0361(3) 0.0429(3) 0.0314(3) -0.0138(2) -0.01686(19) 0.0095(2)
Cl1 0.0362(6) 0.0487(6) 0.0380(6) -0.0127(5) -0.0089(5) 0.0006(5)
O1 0.0271(15) 0.0601(18) 0.0302(16) -0.0087(14) -0.0074(12) 0.0050(13)
O2 0.0395(17) 0.0395(16) 0.0423(17) -0.0088(14) -0.0261(13) 0.0040(13)
N1 0.0213(17) 0.0313(18) 0.0286(18) -0.0100(15) -0.0088(14) 0.0064(14)
N2 0.041(2) 0.0355(19) 0.036(2) -0.0193(17) -0.0153(16) 0.0032(16)
N3 0.0300(18) 0.0329(18) 0.0298(19) -0.0116(16) -0.0128(15) 0.0048(15)
N4 0.040(2) 0.0363(19) 0.0322(19) -0.0157(17) -0.0122(15) 0.0113(16)
N5 0.039(2) 0.0420(19) 0.0244(18) -0.0140(16) -0.0167(15) 0.0070(16)
N6 0.044(2) 0.0283(17) 0.0241(18) -0.0102(15) -0.0143(15) 0.0104(15)
C1 0.031(2) 0.027(2) 0.035(2) -0.0114(19) -0.0116(18) 0.0033(17)
C2 0.050(3) 0.037(2) 0.037(3) -0.011(2) -0.014(2) 0.002(2)
C3 0.065(3) 0.032(3) 0.047(3) -0.004(2) -0.017(2) 0.002(2)
C4 0.062(3) 0.024(2) 0.061(3) -0.011(2) -0.017(2) 0.000(2)
C5 0.053(3) 0.038(3) 0.054(3) -0.028(2) -0.018(2) 0.002(2)
C6 0.034(2) 0.034(2) 0.033(2) -0.017(2) -0.0076(18) 0.0065(18)
C7 0.025(2) 0.037(2) 0.028(2) -0.0157(19) -0.0076(17) 0.0026(18)
C8 0.026(2) 0.037(2) 0.028(2) -0.0170(19) -0.0111(17) 0.0119(18)
C9 0.031(2) 0.030(2) 0.028(2) -0.0123(19) -0.0109(18) 0.0017(18)
C10 0.050(3) 0.042(2) 0.035(2) -0.017(2) -0.019(2) 0.014(2)
C11 0.069(3) 0.059(3) 0.027(2) -0.020(2) -0.017(2) 0.014(3)
C12 0.080(4) 0.063(3) 0.044(3) -0.032(3) -0.020(3) 0.029(3)
C13 0.065(3) 0.049(3) 0.045(3) -0.027(2) -0.018(2) 0.024(2)
C14 0.040(2) 0.037(2) 0.032(2) -0.015(2) -0.0151(19) 0.006(2)
C15 0.029(2) 0.029(2) 0.034(2) -0.0103(19) -0.0096(18) 0.0002(18)
C16 0.029(2) 0.024(2) 0.026(2) -0.0086(18) -0.0090(17) -0.0022(17)
C17 0.028(2) 0.028(2) 0.021(2) -0.0069(17) -0.0093(16) 0.0035(17)
C18 0.029(2) 0.032(2) 0.044(2) -0.014(2) -0.0143(18) 0.0048(18)
C19 0.035(3) 0.048(3) 0.055(3) -0.016(2) -0.011(2) 0.005(2)
C20 0.037(3) 0.061(3) 0.097(4) -0.015(3) -0.004(3) 0.012(2)
C21 0.054(3) 0.050(3) 0.032(2) -0.021(2) -0.020(2) 0.008(2)
C22 0.064(3) 0.068(3) 0.037(3) -0.029(2) -0.010(2) 0.017(3)
C23 0.067(3) 0.081(3) 0.058(3) -0.041(3) -0.035(3) 0.014(3)
C24 0.101(4) 0.064(3) 0.022(2) -0.012(2) -0.019(2) 0.015(3)
C25 0.058(3) 0.028(2) 0.031(2) -0.0050(19) -0.016(2) 0.009(2)
C26 0.076(3) 0.039(3) 0.037(3) 0.002(2) -0.017(2) 0.009(2)
C27 0.063(3) 0.062(3) 0.055(3) -0.017(3) -0.026(2) 0.037(3)
C28 0.098(4) 0.035(3) 0.053(3) -0.006(2) -0.027(3) 0.000(3)
C29 0.036(3) 0.063(3) 0.034(2) -0.013(2) -0.009(2) 0.004(2)
C30 0.036(3) 0.071(3) 0.028(2) -0.007(2) -0.0116(19) 0.008(2)
C31 0.047(3) 0.035(2) 0.039(3) -0.011(2) -0.024(2) 0.004(2)
C32 0.042(3) 0.039(2) 0.040(3) -0.005(2) -0.021(2) 0.004(2)
C33 0.066(4) 0.053(3) 0.085(4) -0.001(3) -0.035(3) -0.009(3)
C34 0.080(4) 0.070(4) 0.075(5) -0.013(4) -0.010(4) -0.003(3)
C35 0.094(5) 0.084(4) 0.076(4) -0.011(4) -0.018(4) -0.005(4)
C36 0.085(5) 0.068(4) 0.095(5) 0.001(4) -0.023(4) -0.004(3)
C37 0.058(4) 0.075(4) 0.103(5) -0.021(4) -0.008(4) 0.001(3)
C38 0.081(5) 0.076(4) 0.076(4) -0.024(4) -0.004(4) -0.027(3)
C39 0.108(5) 0.097(5) 0.142(6) -0.005(4) -0.071(5) -0.029(4)
C40 0.069(4) 0.058(3) 0.048(3) -0.022(3) -0.026(3) 0.013(3)
C41 0.050(3) 0.071(4) 0.064(3) -0.010(3) -0.025(3) -0.003(3)
C42 0.140(6) 0.051(4) 0.061(4) -0.002(3) -0.044(4) -0.018(4)
C43 0.110(6) 0.088(5) 0.079(4) -0.050(4) -0.033(4) 0.039(4)
C44 0.067(4) 0.125(6) 0.074(4) -0.041(4) -0.017(3) 0.015(4)
C45 0.063(4) 0.093(4) 0.064(4) -0.037(3) -0.020(3) -0.005(3)
C46 0.184(8) 0.096(5) 0.157(7) -0.072(5) -0.085(6) 0.064(5)
Li1 0.036(4) 0.038(4) 0.034(4) -0.015(3) -0.015(3) 0.009(3)

_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 N5 2.016(3) . ?
Ge1 N6 2.031(3) . ?
Ge1 Cl1 2.3263(10) . ?
O1 C29 1.431(5) . ?
O1 C30 1.445(4) . ?
O1 Li1 1.973(7) . ?
O2 C32 1.431(4) . ?
O2 C31 1.436(4) . ?
O2 Li1 1.966(7) . ?
N1 C8 1.317(4) . ?
N1 C1 1.385(4) . ?
N1 Li1 2.098(7) . ?
N2 C7 1.332(4) . ?
N2 C6 1.369(4) . ?
N3 C16 1.308(4) . ?
N3 C9 1.382(4) . ?
N3 Li1 2.061(7) . ?
N4 C15 1.328(4) . ?
N4 C14 1.377(4) . ?
N5 C7 1.371(4) . ?
N5 C21 1.513(4) . ?
N6 C15 1.371(4) . ?
N6 C25 1.522(4) . ?
C1 C6 1.403(5) . ?
C1 C2 1.404(5) . ?
C2 C3 1.363(5) . ?
C3 C4 1.387(6) . ?
C4 C5 1.359(5) . ?
C5 C6 1.405(5) . ?
C7 C8 1.451(5) . ?
C8 C17 1.507(5) . ?
C9 C10 1.404(5) . ?
C9 C14 1.405(5) . ?
C10 C11 1.368(5) . ?
C11 C12 1.380(5) . ?
C12 C13 1.362(5) . ?
C13 C14 1.416(5) . ?
C15 C16 1.462(5) . ?
C16 C17 1.512(5) . ?
C17 C18 1.540(5) . ?
C18 C19 1.527(5) . ?
C19 C20 1.521(5) . ?
C21 C23 1.528(5) . ?
C21 C22 1.534(5) . ?
C21 C24 1.538(5) . ?
C25 C26 1.520(5) . ?
C25 C27 1.530(5) . ?
C25 C28 1.533(5) . ?
C29 C30 1.504(5) 2_556 ?
C30 C29 1.504(5) 2_556 ?
C31 C32 1.503(5) 2_656 ?
C32 C31 1.503(5) 2_656 ?
C33 C34 1.383(7) . ?
C33 C38 1.411(7) . ?
C33 C39 1.475(7) . ?
C34 C35 1.337(7) . ?
C35 C36 1.363(7) . ?
C36 C37 1.345(7) . ?
C37 C38 1.387(8) . ?
C40 C41 1.358(6) . ?
C40 C45 1.364(6) . ?
C40 C46 1.476(6) . ?
C41 C42 1.406(7) . ?
C42 C43 1.379(8) . ?
C43 C44 1.350(7) . ?
C44 C45 1.328(7) . ?

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
N5 Ge1 N6 105.55(12) . . ?
N5 Ge1 Cl1 96.60(9) . . ?
N6 Ge1 Cl1 94.76(8) . . ?
C29 O1 C30 108.3(3) . . ?
C29 O1 Li1 121.1(3) . . ?
C30 O1 Li1 130.4(3) . . ?
C32 O2 C31 110.2(3) . . ?
C32 O2 Li1 124.4(3) . . ?
C31 O2 Li1 123.3(3) . . ?
C8 N1 C1 117.2(3) . . ?
C8 N1 Li1 116.4(3) . . ?
C1 N1 Li1 124.5(3) . . ?
C7 N2 C6 118.1(3) . . ?
C16 N3 C9 117.8(3) . . ?
C16 N3 Li1 115.6(3) . . ?
C9 N3 Li1 120.1(3) . . ?
C15 N4 C14 117.5(3) . . ?
C7 N5 C21 118.5(3) . . ?
C7 N5 Ge1 119.9(2) . . ?
C21 N5 Ge1 111.2(2) . . ?
C15 N6 C25 117.9(3) . . ?
C15 N6 Ge1 118.6(2) . . ?
C25 N6 Ge1 111.1(2) . . ?
N1 C1 C6 120.0(3) . . ?
N1 C1 C2 120.6(3) . . ?
C6 C1 C2 119.3(3) . . ?
C3 C2 C1 120.4(4) . . ?
C2 C3 C4 120.2(4) . . ?
C5 C4 C3 120.7(4) . . ?
C4 C5 C6 120.5(4) . . ?
N2 C6 C1 121.4(3) . . ?
N2 C6 C5 119.8(4) . . ?
C1 C6 C5 118.7(4) . . ?
N2 C7 N5 123.0(3) . . ?
N2 C7 C8 119.2(3) . . ?
N5 C7 C8 117.7(3) . . ?
N1 C8 C7 122.3(3) . . ?
N1 C8 C17 118.2(3) . . ?
C7 C8 C17 119.3(3) . . ?
N3 C9 C10 120.0(3) . . ?
N3 C9 C14 120.0(3) . . ?
C10 C9 C14 120.0(3) . . ?
C11 C10 C9 120.1(4) . . ?
C10 C11 C12 120.5(4) . . ?
C13 C12 C11 120.7(4) . . ?
C12 C13 C14 120.8(4) . . ?
N4 C14 C9 122.2(3) . . ?
N4 C14 C13 119.9(3) . . ?
C9 C14 C13 117.9(4) . . ?
N4 C15 N6 122.5(3) . . ?
N4 C15 C16 119.9(3) . . ?
N6 C15 C16 117.6(3) . . ?
N3 C16 C15 122.5(3) . . ?
N3 C16 C17 117.8(3) . . ?
C15 C16 C17 119.5(3) . . ?
C8 C17 C16 112.6(3) . . ?
C8 C17 C18 111.2(3) . . ?
C16 C17 C18 112.1(3) . . ?
C19 C18 C17 111.4(3) . . ?
C20 C19 C18 113.1(4) . . ?
N5 C21 C23 112.1(3) . . ?
N5 C21 C22 110.0(3) . . ?
C23 C21 C22 110.5(3) . . ?
N5 C21 C24 107.4(3) . . ?
C23 C21 C24 110.6(3) . . ?
C22 C21 C24 106.0(3) . . ?
C26 C25 N6 106.6(3) . . ?
C26 C25 C27 110.0(3) . . ?
N6 C25 C27 112.8(3) . . ?
C26 C25 C28 107.4(3) . . ?
N6 C25 C28 109.2(3) . . ?
C27 C25 C28 110.5(4) . . ?
O1 C29 C30 111.6(3) . 2_556 ?
O1 C30 C29 110.9(3) . 2_556 ?
O2 C31 C32 110.8(3) . 2_656 ?
O2 C32 C31 110.7(3) . 2_656 ?
C34 C33 C38 116.6(5) . . ?
C34 C33 C39 120.5(6) . . ?
C38 C33 C39 122.8(6) . . ?
C35 C34 C33 121.9(6) . . ?
C34 C35 C36 120.8(6) . . ?
C37 C36 C35 120.6(7) . . ?
C36 C37 C38 119.5(6) . . ?
C37 C38 C33 120.4(6) . . ?
C41 C40 C45 119.4(5) . . ?
C41 C40 C46 122.6(5) . . ?
C45 C40 C46 117.9(5) . . ?
C40 C41 C42 120.4(5) . . ?
C43 C42 C41 117.9(5) . . ?
C44 C43 C42 119.5(6) . . ?
C45 C44 C43 122.4(6) . . ?
C44 C45 C40 120.4(5) . . ?
O2 Li1 O1 103.2(3) . . ?
O2 Li1 N3 114.5(3) . . ?
O1 Li1 N3 107.3(3) . . ?
O2 Li1 N1 127.0(3) . . ?
O1 Li1 N1 104.4(3) . . ?
N3 Li1 N1 99.0(3) . . ?

_diffrn_measured_fraction_theta_max    0.982
_diffrn_reflns_theta_full              26.37
_diffrn_measured_fraction_theta_full   0.982
_refine_diff_density_max    0.491
_refine_diff_density_min   -0.323
_refine_diff_density_rms    0.062



#------------------------------------------------------------------------------#
#                            END OF DATA BLOCK                                 #
#------------------------------------------------------------------------------#