Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2007

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Dongmei Cui'
_publ_contact_author_address     
;
1State Key Laboratory of Polymer Physics and Chemistry
Changchun Institute of Applied Chemistry, Chinese Academy of Sciences
Renmin Street 5625#
Changchun
Jilin
130022
CHINA
;

_publ_contact_author_email       DMCUI@CIAC.JL.CN

_publ_section_title              
;
C-H Activation Motivated by N,
N'-Diisopropylcarbodiimide within a Lutetium Complex Stabilized by
Amino-Phosphine Ligand
;
loop_
_publ_author_name
'Dongmei Cui'
'Xuesi Chen'
'Xiabin Jing'
'Bo Liu'
'Tao Tang'
'Yi Yang'

data_r043m1
_database_code_depnum_ccdc_archive 'CCDC 641712'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H60 Lu N O P Si2'
_chemical_formula_weight         905.07

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 0.0000 0.0000 '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 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.4720 5.8584 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   41.074(3)
_cell_length_b                   11.8955(10)
_cell_length_c                   19.6868(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.9790(10)
_cell_angle_gamma                90.00
_cell_volume                     9149.2(13)
_cell_formula_units_Z            8
_cell_measurement_temperature    187(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3720
_exptl_absorpt_coefficient_mu    2.278
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5965
_exptl_absorpt_correction_T_max  0.9124
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      187(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            23425
_diffrn_reflns_av_R_equivalents  0.0719
_diffrn_reflns_av_sigmaI/netI    0.0900
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.79
_diffrn_reflns_theta_max         25.38
_reflns_number_total             8379
_reflns_number_gt                5837
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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^)+(0.0466P)^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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8379
_refine_ls_number_parameters     499
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0523
_refine_ls_wR_factor_ref         0.1106
_refine_ls_wR_factor_gt          0.0987
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_restrained_S_all      0.997
_refine_ls_shift/su_max          1.343
_refine_ls_shift/su_mean         0.036

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
C1 C 0.85601(15) 0.2587(6) 0.8399(3) 0.0298(15) Uani 1 1 d . A .
C2 C 0.86796(16) 0.3698(6) 0.8421(3) 0.0356(16) Uani 1 1 d . . .
C3 C 0.88345(18) 0.4023(7) 0.7927(4) 0.051(2) Uani 1 1 d . . .
H3 H 0.8904 0.4767 0.7924 0.061 Uiso 1 1 calc R . .
C4 C 0.88910(19) 0.3295(8) 0.7438(4) 0.058(2) Uani 1 1 d . . .
H4 H 0.9000 0.3538 0.7114 0.070 Uiso 1 1 calc R . .
C5 C 0.87851(18) 0.2197(7) 0.7432(4) 0.049(2) Uani 1 1 d . . .
H5 H 0.8828 0.1693 0.7108 0.059 Uiso 1 1 calc R . .
C6 C 0.86159(17) 0.1828(6) 0.7901(4) 0.0384(17) Uani 1 1 d . . .
C7 C 0.84985(19) 0.0622(6) 0.7879(4) 0.048(2) Uani 1 1 d . . .
H7A H 0.8591 0.0291 0.8344 0.072 Uiso 1 1 calc R . .
H7B H 0.8577 0.0208 0.7541 0.072 Uiso 1 1 calc R . .
H7C H 0.8253 0.0598 0.7739 0.072 Uiso 1 1 calc R . .
C8 C 0.8646(2) 0.4517(6) 0.8976(4) 0.053(2) Uani 1 1 d . . .
H8A H 0.8828 0.5056 0.9072 0.080 Uiso 1 1 calc R . .
H8B H 0.8657 0.4119 0.9407 0.080 Uiso 1 1 calc R . .
H8C H 0.8430 0.4899 0.8804 0.080 Uiso 1 1 calc R . .
C9 C 0.78780(16) 0.3320(5) 0.8283(3) 0.0296(16) Uani 1 1 d . . .
C10 C 0.77354(17) 0.4323(6) 0.8412(3) 0.0421(18) Uani 1 1 d . . .
H10 H 0.7772 0.4557 0.8881 0.051 Uiso 1 1 calc R . .
C11 C 0.75408(19) 0.4977(6) 0.7862(4) 0.0455(19) Uani 1 1 d . . .
H11 H 0.7450 0.5650 0.7961 0.055 Uiso 1 1 calc R . .
C12 C 0.74800(18) 0.4644(6) 0.7167(4) 0.0429(18) Uani 1 1 d . . .
H12 H 0.7347 0.5084 0.6794 0.052 Uiso 1 1 calc R . .
C13 C 0.76168(16) 0.3659(6) 0.7030(3) 0.0422(18) Uani 1 1 d . . .
H13 H 0.7576 0.3427 0.6560 0.051 Uiso 1 1 calc R . .
C14 C 0.78146(16) 0.3004(6) 0.7579(3) 0.0350(16) Uani 1 1 d . . .
H14 H 0.7907 0.2338 0.7473 0.042 Uiso 1 1 calc R . .
C15 C 0.80841(19) 0.2589(6) 0.8884(3) 0.0403(18) Uani 1 1 d . . .
H15 H 0.8194(17) 0.326(6) 0.915(3) 0.048 Uiso 1 1 calc . . .
C16 C 0.79375(16) 0.2351(5) 0.9403(3) 0.0326(15) Uani 1 1 d . . .
H16A H 0.7733 0.1913 0.9184 0.039 Uiso 1 1 calc R . .
H16B H 0.7864 0.3057 0.9555 0.039 Uiso 1 1 calc R . .
C17 C 0.81665(15) 0.2521(6) 1.0936(3) 0.0291(15) Uani 1 1 d . . .
C18 C 0.82652(17) 0.3644(6) 1.0943(4) 0.0394(16) Uani 1 1 d . . .
H18 H 0.8323 0.3931 1.0555 0.047 Uiso 1 1 calc R . .
C19 C 0.82790(18) 0.4329(7) 1.1507(4) 0.049(2) Uani 1 1 d . . .
H19 H 0.8350 0.5071 1.1505 0.059 Uiso 1 1 calc R . .
C20 C 0.81905(19) 0.3932(7) 1.2068(4) 0.055(2) Uani 1 1 d . . .
H20 H 0.8200 0.4406 1.2450 0.066 Uiso 1 1 calc R . .
C21 C 0.8088(2) 0.2846(8) 1.2083(4) 0.058(2) Uani 1 1 d . . .
H21 H 0.8025 0.2584 1.2470 0.069 Uiso 1 1 calc R . .
C22 C 0.80766(18) 0.2128(6) 1.1519(3) 0.0453(19) Uani 1 1 d . . .
H22 H 0.8009 0.1385 1.1531 0.054 Uiso 1 1 calc R . .
C23 C 0.79297(16) 0.0405(5) 1.0285(3) 0.0272(15) Uani 1 1 d . . .
C24 C 0.75917(17) 0.0258(6) 0.9896(3) 0.0339(16) Uani 1 1 d . . .
H24 H 0.7484 0.0783 0.9549 0.041 Uiso 1 1 calc R . .
C25 C 0.74092(19) -0.0668(6) 1.0014(4) 0.0427(18) Uani 1 1 d . . .
H25 H 0.7181 -0.0764 0.9744 0.051 Uiso 1 1 calc R . .
C26 C 0.75641(19) -0.1434(6) 1.0524(4) 0.0429(18) Uani 1 1 d . . .
H26 H 0.7441 -0.2043 1.0611 0.051 Uiso 1 1 calc R . .
C27 C 0.7899(2) -0.1308(6) 1.0907(4) 0.0447(18) Uani 1 1 d . . .
H27 H 0.8002 -0.1841 1.1252 0.054 Uiso 1 1 calc R . .
C28 C 0.80902(18) -0.0407(6) 1.0798(3) 0.0387(17) Uani 1 1 d . . .
H28 H 0.8320 -0.0340 1.1058 0.046 Uiso 1 1 calc R . .
C29 C 0.90615(17) 0.2693(6) 1.0698(3) 0.0380(17) Uani 1 1 d . A .
H29A H 0.9188 0.3216 1.0496 0.046 Uiso 1 1 calc R . .
H29B H 0.8876 0.3118 1.0781 0.046 Uiso 1 1 calc R . .
C30 C 0.9477(2) 0.3504(7) 1.2202(4) 0.074(3) Uani 1 1 d . A .
H30A H 0.9600 0.4042 1.2012 0.111 Uiso 1 1 calc R . .
H30B H 0.9621 0.3237 1.2655 0.111 Uiso 1 1 calc R . .
H30C H 0.9277 0.3853 1.2262 0.111 Uiso 1 1 calc R . .
C31 C 0.9135(2) 0.1265(7) 1.2006(4) 0.071(3) Uani 1 1 d . A .
H31A H 0.8930 0.1590 1.2059 0.107 Uiso 1 1 calc R . .
H31B H 0.9288 0.1071 1.2468 0.107 Uiso 1 1 calc R . .
H31C H 0.9078 0.0601 1.1716 0.107 Uiso 1 1 calc R . .
C32 C 0.97384(19) 0.1657(7) 1.1443(4) 0.063(2) Uani 1 1 d . A .
H32A H 0.9676 0.1003 1.1145 0.095 Uiso 1 1 calc R . .
H32B H 0.9894 0.1446 1.1899 0.095 Uiso 1 1 calc R . .
H32C H 0.9847 0.2194 1.1220 0.095 Uiso 1 1 calc R . .
C33 C 0.88887(18) -0.0499(5) 1.0160(4) 0.0395(17) Uani 1 1 d . A .
H33A H 0.9135 -0.0594 1.0316 0.047 Uiso 1 1 calc R . .
H33B H 0.8822 -0.0524 1.0591 0.047 Uiso 1 1 calc R . .
C34 C 0.8264(2) -0.1754(7) 0.9208(4) 0.065(2) Uani 1 1 d . A .
H34A H 0.8136 -0.1654 0.9537 0.097 Uiso 1 1 calc R . .
H34B H 0.8194 -0.2439 0.8945 0.097 Uiso 1 1 calc R . .
H34C H 0.8222 -0.1131 0.8882 0.097 Uiso 1 1 calc R . .
C35 C 0.8955(2) -0.2218(6) 0.9050(4) 0.064(2) Uani 1 1 d . A .
H35A H 0.8903 -0.1678 0.8669 0.095 Uiso 1 1 calc R . .
H35B H 0.8882 -0.2951 0.8858 0.095 Uiso 1 1 calc R . .
H35C H 0.9198 -0.2225 0.9285 0.095 Uiso 1 1 calc R . .
C36 C 0.8773(3) -0.3019(7) 1.0348(4) 0.085(3) Uani 1 1 d . A .
H36A H 0.9011 -0.3193 1.0559 0.128 Uiso 1 1 calc R . .
H36B H 0.8656 -0.3667 1.0098 0.128 Uiso 1 1 calc R . .
H36C H 0.8676 -0.2812 1.0715 0.128 Uiso 1 1 calc R . .
C37 C 0.9472(2) 0.2428(9) 0.9361(6) 0.069(3) Uani 1 1 d . . .
C40 C 0.9409(2) 0.0434(8) 0.9145(6) 0.076(3) Uani 1 1 d . . .
C41 C 0.0148(5) 0.3218(16) 0.7684(13) 0.217(17) Uani 1 1 d . . .
H41 H 0.0262 0.3904 0.7737 0.260 Uiso 1 1 calc R . .
C42 C 0.0297(6) 0.249(4) 0.7964(14) 0.36(3) Uani 1 1 d . . .
H42 H 0.0505 0.2604 0.8318 0.429 Uiso 1 1 calc R . .
C43 C 0.0182(7) 0.1510(15) 0.7797(15) 0.30(3) Uani 1 1 d . . .
H43 H 0.0298 0.0861 0.7999 0.357 Uiso 1 1 calc R . .
C44 C 1.0042(6) 0.5120(12) 0.9333(8) 0.111(4) Uani 1 1 d . . .
C45 C 0.9740(5) 0.5423(10) 0.9441(9) 0.103(4) Uani 1 1 d . . .
C46 C 0.9697(4) 0.5304(11) 1.0112(13) 0.112(5) Uani 1 1 d . . .
C38A C 0.9778(7) 0.194(3) 0.916(2) 0.093(11) Uani 0.65(6) 1 d P A 1
H38A H 0.9825 0.2381 0.8790 0.112 Uiso 0.65(6) 1 calc PR A 1
H38B H 0.9981 0.1921 0.9575 0.112 Uiso 0.65(6) 1 calc PR A 1
C39A C 0.9671(13) 0.081(3) 0.891(3) 0.114(14) Uani 0.65(6) 1 d P A 1
H39A H 0.9598 0.0797 0.8394 0.136 Uiso 0.65(6) 1 calc PR A 1
H39B H 0.9864 0.0300 0.9081 0.136 Uiso 0.65(6) 1 calc PR A 1
C38B C 0.972(2) 0.213(6) 0.933(4) 0.17(3) Uani 0.35(6) 1 d P A 2
H38C H 0.9753 0.2480 0.8905 0.200 Uiso 0.35(6) 1 calc PR A 2
H38D H 0.9896 0.2446 0.9735 0.200 Uiso 0.35(6) 1 calc PR A 2
C39B C 0.9801(10) 0.092(6) 0.930(5) 0.09(2) Uani 0.35(6) 1 d P A 2
H39C H 0.9955 0.0646 0.9745 0.114 Uiso 0.35(6) 1 calc PR A 2
H39D H 0.9892 0.0746 0.8910 0.114 Uiso 0.35(6) 1 calc PR A 2
Lu1 Lu 0.880958(7) 0.13992(2) 0.980306(14) 0.02990(10) Uani 1 1 d . . .
N1 N 0.83997(12) 0.2177(4) 0.8893(2) 0.0267(12) Uani 1 1 d . A .
O1 O 0.92728(11) 0.1415(4) 0.9404(2) 0.0442(12) Uani 1 1 d . A .
P1 P 0.81820(4) 0.16177(14) 1.01895(8) 0.0293(4) Uani 1 1 d . A .
Si1 Si 0.93457(5) 0.22973(18) 1.15706(10) 0.0435(5) Uani 1 1 d . . .
Si2 Si 0.87272(6) -0.18281(17) 0.97083(10) 0.0451(6) 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
C1 0.034(4) 0.034(4) 0.023(3) 0.009(3) 0.011(3) 0.005(3)
C2 0.041(4) 0.026(4) 0.037(4) 0.007(4) 0.008(3) -0.004(3)
C3 0.040(4) 0.048(5) 0.063(5) 0.013(4) 0.015(4) -0.009(4)
C4 0.049(5) 0.079(7) 0.056(5) 0.026(5) 0.030(4) 0.003(4)
C5 0.049(5) 0.063(6) 0.041(4) 0.003(4) 0.024(4) 0.013(4)
C6 0.040(4) 0.043(5) 0.036(4) 0.004(3) 0.017(3) 0.006(3)
C7 0.071(5) 0.033(5) 0.038(4) -0.009(4) 0.014(4) 0.010(4)
C8 0.069(6) 0.032(5) 0.050(5) 0.000(4) 0.005(4) -0.008(4)
C9 0.033(4) 0.032(4) 0.027(3) 0.009(3) 0.015(3) 0.006(3)
C10 0.055(5) 0.050(5) 0.025(3) 0.002(4) 0.017(3) 0.016(4)
C11 0.062(5) 0.033(5) 0.045(4) 0.011(4) 0.022(4) 0.019(4)
C12 0.053(5) 0.042(5) 0.036(4) 0.009(4) 0.016(3) 0.006(4)
C13 0.039(4) 0.051(5) 0.031(4) -0.008(4) 0.002(3) 0.006(4)
C14 0.040(4) 0.024(4) 0.041(4) -0.003(3) 0.014(3) -0.004(3)
C15 0.052(5) 0.039(5) 0.028(4) 0.002(3) 0.010(3) 0.000(4)
C16 0.041(4) 0.022(4) 0.035(4) 0.001(3) 0.013(3) -0.001(3)
C17 0.032(4) 0.031(4) 0.026(3) -0.002(3) 0.013(3) 0.008(3)
C18 0.045(4) 0.028(4) 0.047(4) 0.004(4) 0.018(3) 0.001(3)
C19 0.059(5) 0.036(5) 0.051(5) -0.015(4) 0.014(4) -0.004(4)
C20 0.057(5) 0.064(6) 0.048(5) -0.026(4) 0.021(4) -0.003(4)
C21 0.071(6) 0.075(7) 0.036(4) -0.006(5) 0.029(4) -0.002(5)
C22 0.065(5) 0.042(5) 0.035(4) -0.004(4) 0.024(4) -0.008(4)
C23 0.044(4) 0.022(4) 0.023(3) -0.003(3) 0.023(3) 0.002(3)
C24 0.046(4) 0.027(4) 0.028(4) -0.001(3) 0.011(3) -0.002(3)
C25 0.049(5) 0.036(5) 0.045(4) -0.014(4) 0.016(4) -0.009(4)
C26 0.069(5) 0.026(4) 0.042(4) -0.005(4) 0.030(4) -0.012(4)
C27 0.068(5) 0.033(4) 0.038(4) 0.002(4) 0.023(4) 0.007(4)
C28 0.050(4) 0.031(4) 0.035(4) 0.003(3) 0.012(3) 0.000(3)
C29 0.042(4) 0.030(4) 0.045(4) -0.001(3) 0.018(3) 0.005(3)
C30 0.080(6) 0.068(6) 0.056(5) -0.028(5) -0.007(4) 0.005(5)
C31 0.099(7) 0.062(6) 0.054(5) 0.009(5) 0.026(5) -0.005(5)
C32 0.055(5) 0.067(6) 0.057(5) -0.006(5) 0.002(4) 0.019(4)
C33 0.050(4) 0.027(4) 0.041(4) 0.001(3) 0.014(3) 0.002(3)
C34 0.075(6) 0.063(6) 0.057(5) -0.014(5) 0.022(5) -0.017(5)
C35 0.093(7) 0.029(5) 0.080(6) -0.006(5) 0.044(5) -0.001(4)
C36 0.164(10) 0.022(5) 0.063(6) 0.011(4) 0.026(6) 0.002(5)
C37 0.045(6) 0.062(7) 0.111(8) 0.014(6) 0.040(6) -0.005(5)
C40 0.064(6) 0.064(7) 0.125(8) -0.036(6) 0.064(6) -0.004(5)
C41 0.27(4) 0.233(19) 0.23(3) -0.16(3) 0.19(3) -0.20(2)
C42 0.109(14) 0.84(8) 0.148(18) 0.25(3) 0.074(13) 0.15(3)
C43 0.52(6) 0.197(17) 0.34(4) 0.22(2) 0.38(4) 0.29(3)
C44 0.160(14) 0.068(9) 0.127(13) -0.024(8) 0.077(13) -0.025(9)
C45 0.127(13) 0.060(8) 0.100(10) -0.012(8) 0.002(8) -0.008(8)
C46 0.096(10) 0.062(8) 0.183(16) -0.024(10) 0.051(11) -0.010(7)
C38A 0.062(15) 0.09(2) 0.17(3) -0.015(19) 0.100(19) 0.013(15)
C39A 0.14(4) 0.064(16) 0.17(3) -0.04(2) 0.11(3) 0.01(2)
C38B 0.22(8) 0.10(5) 0.15(5) -0.03(4) 0.02(5) -0.14(5)
C39B 0.030(19) 0.09(4) 0.17(6) 0.03(4) 0.05(2) 0.01(2)
Lu1 0.03423(16) 0.02305(16) 0.03061(15) 0.00065(15) 0.00734(11) 0.00329(14)
N1 0.031(3) 0.023(3) 0.029(3) 0.002(2) 0.013(2) 0.005(2)
O1 0.045(3) 0.038(3) 0.053(3) -0.001(3) 0.020(2) 0.002(3)
P1 0.0375(10) 0.0256(11) 0.0259(8) 0.0027(8) 0.0113(7) 0.0020(7)
Si1 0.0505(13) 0.0404(13) 0.0346(11) -0.0077(10) 0.0059(9) 0.0030(10)
Si2 0.0694(16) 0.0255(11) 0.0393(12) 0.0011(10) 0.0150(11) 0.0014(10)

_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
C1 C6 1.403(9) . ?
C1 C2 1.406(9) . ?
C1 N1 1.418(7) . ?
C1 Lu1 2.989(6) . ?
C2 C3 1.373(9) . ?
C2 C8 1.503(9) . ?
C3 C4 1.367(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.375(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.387(9) . ?
C5 H5 0.9300 . ?
C6 C7 1.511(10) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C14 1.382(8) . ?
C9 C10 1.387(9) . ?
C9 C15 1.500(9) . ?
C10 C11 1.372(9) . ?
C10 H10 0.9300 . ?
C11 C12 1.371(9) . ?
C11 H11 0.9300 . ?
C12 C13 1.361(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.375(9) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.367(8) . ?
C15 N1 1.381(8) . ?
C15 H15 0.90(7) . ?
C16 P1 1.790(6) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C22 1.390(8) . ?
C17 C18 1.395(9) . ?
C17 P1 1.837(6) . ?
C18 C19 1.365(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.351(10) . ?
C19 H19 0.9300 . ?
C20 C21 1.363(11) . ?
C20 H20 0.9300 . ?
C21 C22 1.391(9) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24 1.374(8) . ?
C23 C28 1.405(8) . ?
C23 P1 1.820(6) . ?
C24 C25 1.392(9) . ?
C24 H24 0.9300 . ?
C25 C26 1.360(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.356(10) . ?
C26 H26 0.9300 . ?
C27 C28 1.386(9) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 Si1 1.816(6) . ?
C29 Lu1 2.328(6) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 Si1 1.866(7) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 Si1 1.857(8) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 Si1 1.869(8) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 Si2 1.834(7) . ?
C33 Lu1 2.357(6) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 Si2 1.855(8) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 Si2 1.878(7) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 Si2 1.866(8) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38B 1.11(9) . ?
C37 O1 1.473(11) . ?
C37 C38A 1.54(2) . ?
C40 C39A 1.37(4) . ?
C40 O1 1.454(9) . ?
C40 C39B 1.64(5) . ?
C41 C42 1.10(4) . ?
C41 C41 1.21(4) 2_556 ?
C41 C43 2.04(3) . ?
C41 H41 0.9300 . ?
C42 C43 1.27(6) . ?
C42 H42 0.9300 . ?
C43 C43 1.59(6) 2_556 ?
C43 H43 0.9300 . ?
C44 C46 1.371(18) 5_767 ?
C44 C45 1.367(17) . ?
C45 C46 1.394(17) . ?
C46 C44 1.371(18) 5_767 ?
C38A C39A 1.45(5) . ?
C38A H38A 0.9700 . ?
C38A H38B 0.9700 . ?
C39A H39A 0.9700 . ?
C39A H39B 0.9700 . ?
C38B C39B 1.49(10) . ?
C38B H38C 0.9700 . ?
C38B H38D 0.9700 . ?
C39B H39C 0.9700 . ?
C39B H39D 0.9700 . ?
Lu1 N1 2.245(5) . ?
Lu1 O1 2.272(4) . ?
Lu1 P1 2.9157(17) . ?

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
C6 C1 C2 119.7(6) . . ?
C6 C1 N1 118.0(6) . . ?
C2 C1 N1 122.2(6) . . ?
C6 C1 Lu1 105.0(4) . . ?
C2 C1 Lu1 113.5(4) . . ?
N1 C1 Lu1 45.8(3) . . ?
C3 C2 C1 118.5(7) . . ?
C3 C2 C8 120.1(7) . . ?
C1 C2 C8 121.5(6) . . ?
C4 C3 C2 122.5(7) . . ?
C4 C3 H3 118.8 . . ?
C2 C3 H3 118.7 . . ?
C3 C4 C5 119.1(7) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C4 C5 C6 121.1(8) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C5 C6 C1 119.1(7) . . ?
C5 C6 C7 120.2(7) . . ?
C1 C6 C7 120.7(6) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C2 C8 H8A 109.5 . . ?
C2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C14 C9 C10 117.2(6) . . ?
C14 C9 C15 121.3(6) . . ?
C10 C9 C15 121.5(6) . . ?
C11 C10 C9 121.3(6) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.3 . . ?
C12 C11 C10 120.4(7) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C13 C12 C11 119.2(7) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C12 C13 C14 120.8(6) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C13 C14 C9 121.1(6) . . ?
C13 C14 H14 119.4 . . ?
C9 C14 H14 119.4 . . ?
C16 C15 N1 123.1(6) . . ?
C16 C15 C9 115.9(6) . . ?
N1 C15 C9 121.0(6) . . ?
C16 C15 H15 87(4) . . ?
N1 C15 H15 90(4) . . ?
C9 C15 H15 93(4) . . ?
C15 C16 P1 119.2(5) . . ?
C15 C16 H16A 107.5 . . ?
P1 C16 H16A 107.5 . . ?
C15 C16 H16B 107.5 . . ?
P1 C16 H16B 107.5 . . ?
H16A C16 H16B 107.0 . . ?
C22 C17 C18 117.6(6) . . ?
C22 C17 P1 123.2(5) . . ?
C18 C17 P1 119.1(5) . . ?
C19 C18 C17 121.2(6) . . ?
C19 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C20 C19 C18 120.2(7) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 120.8(7) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C20 C21 C22 119.9(7) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 C17 120.2(7) . . ?
C21 C22 H22 119.9 . . ?
C17 C22 H22 119.9 . . ?
C24 C23 C28 118.9(6) . . ?
C24 C23 P1 123.5(5) . . ?
C28 C23 P1 117.6(5) . . ?
C23 C24 C25 120.7(6) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 H24 119.7 . . ?
C26 C25 C24 120.0(7) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C27 C26 C25 120.0(7) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C28 121.7(7) . . ?
C26 C27 H27 119.2 . . ?
C28 C27 H27 119.2 . . ?
C27 C28 C23 118.7(7) . . ?
C27 C28 H28 120.6 . . ?
C23 C28 H28 120.6 . . ?
Si1 C29 Lu1 123.4(3) . . ?
Si1 C29 H29A 106.5 . . ?
Lu1 C29 H29A 106.5 . . ?
Si1 C29 H29B 106.5 . . ?
Lu1 C29 H29B 106.5 . . ?
H29A C29 H29B 106.5 . . ?
Si1 C30 H30A 109.5 . . ?
Si1 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si1 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si1 C31 H31A 109.5 . . ?
Si1 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si1 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si1 C32 H32A 109.5 . . ?
Si1 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si1 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si2 C33 Lu1 133.3(3) . . ?
Si2 C33 H33A 103.9 . . ?
Lu1 C33 H33A 103.9 . . ?
Si2 C33 H33B 103.9 . . ?
Lu1 C33 H33B 103.9 . . ?
H33A C33 H33B 105.4 . . ?
Si2 C34 H34A 109.5 . . ?
Si2 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si2 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si2 C35 H35A 109.5 . . ?
Si2 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si2 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si2 C36 H36A 109.5 . . ?
Si2 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si2 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38B C37 O1 107(3) . . ?
C38B C37 C38A 11(5) . . ?
O1 C37 C38A 102.4(16) . . ?
C39A C40 O1 106.6(15) . . ?
C39A C40 C39B 29(3) . . ?
O1 C40 C39B 97(3) . . ?
C42 C41 C41 127(2) . 2_556 ?
C42 C41 C43 33(3) . . ?
C41 C41 C43 95.1(10) 2_556 . ?
C42 C41 H41 116.4 . . ?
C41 C41 H41 116.5 2_556 . ?
C43 C41 H41 147.5 . . ?
C41 C42 C43 119(3) . . ?
C41 C42 H42 120.5 . . ?
C43 C42 H42 120.4 . . ?
C42 C43 C43 112.4(17) . 2_556 ?
C42 C43 C41 28.1(12) . . ?
C43 C43 C41 84.4(10) 2_556 . ?
C42 C43 H43 123.8 . . ?
C43 C43 H43 123.8 2_556 . ?
C41 C43 H43 151.8 . . ?
C46 C44 C45 119.8(13) 5_767 . ?
C44 C45 C46 120.5(12) . . ?
C44 C46 C45 119.7(12) 5_767 . ?
C39A C38A C37 105(2) . . ?
C39A C38A H38A 110.5 . . ?
C37 C38A H38A 110.6 . . ?
C39A C38A H38B 110.6 . . ?
C37 C38A H38B 111.6 . . ?
H38A C38A H38B 108.8 . . ?
C40 C39A C38A 112(2) . . ?
C40 C39A H39A 108.5 . . ?
C38A C39A H39A 109.3 . . ?
C40 C39A H39B 109.8 . . ?
C38A C39A H39B 109.4 . . ?
H39A C39A H39B 107.9 . . ?
C39B C38B C37 122(4) . . ?
C39B C38B H38C 107.4 . . ?
C37 C38B H38C 108.9 . . ?
C39B C38B H38D 104.6 . . ?
C37 C38B H38D 106.3 . . ?
H38C C38B H38D 107.0 . . ?
C38B C39B C40 98(3) . . ?
C38B C39B H39C 114.3 . . ?
C40 C39B H39C 111.8 . . ?
C38B C39B H39D 112.1 . . ?
C40 C39B H39D 110.9 . . ?
H39C C39B H39D 109.5 . . ?
N1 Lu1 O1 102.84(17) . . ?
N1 Lu1 C29 112.3(2) . . ?
O1 Lu1 C29 91.8(2) . . ?
N1 Lu1 C33 129.3(2) . . ?
O1 Lu1 C33 93.3(2) . . ?
C29 Lu1 C33 114.8(2) . . ?
N1 Lu1 P1 70.48(13) . . ?
O1 Lu1 P1 172.64(12) . . ?
C29 Lu1 P1 88.05(17) . . ?
C33 Lu1 P1 93.41(17) . . ?
N1 Lu1 C1 26.94(16) . . ?
O1 Lu1 C1 76.17(16) . . ?
C29 Lu1 C1 109.4(2) . . ?
C33 Lu1 C1 134.8(2) . . ?
P1 Lu1 C1 96.93(12) . . ?
C15 N1 C1 120.2(5) . . ?
C15 N1 Lu1 128.8(4) . . ?
C1 N1 Lu1 107.2(4) . . ?
C40 O1 C37 110.8(6) . . ?
C40 O1 Lu1 124.7(5) . . ?
C37 O1 Lu1 124.5(5) . . ?
C16 P1 C23 106.9(3) . . ?
C16 P1 C17 104.9(3) . . ?
C23 P1 C17 102.7(3) . . ?
C16 P1 Lu1 97.1(2) . . ?
C23 P1 Lu1 122.3(2) . . ?
C17 P1 Lu1 120.8(2) . . ?
C29 Si1 C31 110.7(4) . . ?
C29 Si1 C32 107.9(3) . . ?
C31 Si1 C32 109.7(4) . . ?
C29 Si1 C30 113.6(4) . . ?
C31 Si1 C30 106.3(4) . . ?
C32 Si1 C30 108.6(4) . . ?
C33 Si2 C34 112.0(4) . . ?
C33 Si2 C36 112.4(3) . . ?
C34 Si2 C36 105.6(4) . . ?
C33 Si2 C35 111.4(3) . . ?
C34 Si2 C35 107.1(4) . . ?
C36 Si2 C35 108.1(4) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.38
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.936
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.123

# Attachment 'cif_of_complex_2.cif'

data_lb
_database_code_depnum_ccdc_archive 'CCDC 641713'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H71 Lu N5 O P Si'
_chemical_formula_weight         992.15

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 0.0000 0.0000 '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 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.4720 5.8584 '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                   11.4181(11)
_cell_length_b                   12.6687(12)
_cell_length_c                   19.722(2)
_cell_angle_alpha                106.954(2)
_cell_angle_beta                 102.899(2)
_cell_angle_gamma                91.243(2)
_cell_volume                     2648.5(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    187(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1028
_exptl_absorpt_coefficient_mu    1.954
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6937
_exptl_absorpt_correction_T_max  0.8738
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      187(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            14262
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_av_sigmaI/netI    0.0941
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         25.39
_reflns_number_total             9546
_reflns_number_gt                7514
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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^)+(0.1024P)^2^+2.5264P] 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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9546
_refine_ls_number_parameters     544
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0864
_refine_ls_R_factor_gt           0.0655
_refine_ls_wR_factor_ref         0.1884
_refine_ls_wR_factor_gt          0.1726
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001

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
Lu1 Lu 0.68131(3) 0.84585(3) 0.71644(2) 0.02974(15) Uani 1 1 d . . .
P1 P 0.7713(2) 0.6219(2) 0.71518(13) 0.0341(5) Uani 1 1 d . . .
Si1 Si 1.0367(3) 1.1665(2) 0.83890(17) 0.0449(7) Uani 1 1 d . . .
O O 0.6033(6) 0.7609(5) 0.5888(3) 0.0400(15) Uani 1 1 d . . .
N1 N 0.5499(6) 0.7331(6) 0.7439(4) 0.0304(16) Uani 1 1 d . . .
N2 N 0.8763(6) 0.9005(6) 0.7145(4) 0.0337(17) Uani 1 1 d . . .
N3 N 0.8184(6) 0.9351(6) 0.8199(4) 0.0333(17) Uani 1 1 d . . .
N4 N 0.5725(7) 0.9846(6) 0.7023(4) 0.0379(18) Uani 1 1 d . . .
N5 N 0.3929(7) 1.0440(7) 0.6444(4) 0.0396(19) Uani 1 1 d . . .
C1 C 0.8209(8) 0.5202(8) 0.6414(5) 0.038(2) Uani 1 1 d . . .
C2 C 0.8230(10) 0.5452(9) 0.5783(6) 0.051(3) Uani 1 1 d . . .
H2 H 0.8023 0.6138 0.5738 0.062 Uiso 1 1 calc R . .
C3 C 0.8562(12) 0.4678(13) 0.5211(6) 0.075(4) Uani 1 1 d . . .
H3 H 0.8568 0.4838 0.4781 0.089 Uiso 1 1 calc R . .
C4 C 0.8882(12) 0.3670(13) 0.5292(8) 0.084(5) Uani 1 1 d . . .
H4A H 0.9138 0.3161 0.4921 0.100 Uiso 1 1 calc R . .
C5 C 0.8828(11) 0.3407(10) 0.5914(7) 0.064(3) Uani 1 1 d . . .
H5 H 0.9007 0.2713 0.5957 0.077 Uiso 1 1 calc R . .
C6 C 0.8507(9) 0.4187(9) 0.6466(6) 0.046(3) Uani 1 1 d . . .
H6 H 0.8491 0.4021 0.6893 0.056 Uiso 1 1 calc R . .
C7 C 0.8775(9) 0.6069(8) 0.7952(5) 0.041(2) Uani 1 1 d . . .
C8 C 0.8413(11) 0.5682(9) 0.8467(6) 0.053(3) Uani 1 1 d . . .
H8 H 0.7603 0.5461 0.8401 0.064 Uiso 1 1 calc R . .
C9 C 0.9245(12) 0.5620(10) 0.9083(6) 0.062(3) Uani 1 1 d . . .
H9 H 0.8982 0.5390 0.9435 0.074 Uiso 1 1 calc R . .
C10 C 1.0404(13) 0.5884(11) 0.9174(7) 0.071(4) Uani 1 1 d . . .
H10 H 1.0950 0.5811 0.9581 0.085 Uiso 1 1 calc R . .
C11 C 1.0821(13) 0.6264(14) 0.8681(8) 0.089(5) Uani 1 1 d . . .
H11 H 1.1640 0.6455 0.8755 0.106 Uiso 1 1 calc R . .
C12 C 0.9974(11) 0.6362(12) 0.8051(7) 0.067(4) Uani 1 1 d . . .
H12 H 1.0240 0.6622 0.7711 0.081 Uiso 1 1 calc R . .
C13 C 0.6311(8) 0.5558(8) 0.7128(5) 0.039(2) Uani 1 1 d . . .
H13 H 0.6195 0.4789 0.7000 0.047 Uiso 1 1 calc R . .
C14 C 0.5406(8) 0.6194(8) 0.7302(5) 0.036(2) Uani 1 1 d . . .
C15 C 0.4223(9) 0.5616(8) 0.7273(5) 0.037(2) Uani 1 1 d . . .
C16 C 0.4220(10) 0.4754(8) 0.7572(6) 0.046(2) Uani 1 1 d . . .
H16 H 0.4944 0.4561 0.7810 0.055 Uiso 1 1 calc R . .
C17 C 0.3136(11) 0.4176(9) 0.7518(6) 0.055(3) Uani 1 1 d . . .
H17 H 0.3140 0.3600 0.7722 0.066 Uiso 1 1 calc R . .
C18 C 0.2046(11) 0.4451(10) 0.7159(7) 0.061(3) Uani 1 1 d . . .
H18 H 0.1322 0.4065 0.7124 0.073 Uiso 1 1 calc R . .
C19 C 0.2055(9) 0.5284(9) 0.6865(6) 0.049(3) Uani 1 1 d . . .
H19 H 0.1329 0.5468 0.6623 0.059 Uiso 1 1 calc R . .
C20 C 0.3122(8) 0.5875(8) 0.6914(5) 0.040(2) Uani 1 1 d . . .
H20 H 0.3104 0.6447 0.6706 0.048 Uiso 1 1 calc R . .
C21 C 0.4760(8) 0.7973(7) 0.7868(5) 0.033(2) Uani 1 1 d . . .
C22 C 0.4808(8) 0.7980(8) 0.8585(5) 0.037(2) Uani 1 1 d . . .
C23 C 0.4146(9) 0.8706(9) 0.8998(6) 0.044(2) Uani 1 1 d . . .
H23 H 0.4164 0.8689 0.9468 0.053 Uiso 1 1 calc R . .
C24 C 0.3481(10) 0.9431(9) 0.8737(6) 0.049(3) Uani 1 1 d . . .
H24 H 0.3068 0.9921 0.9028 0.059 Uiso 1 1 calc R . .
C25 C 0.3422(9) 0.9437(9) 0.8025(6) 0.044(2) Uani 1 1 d . . .
H25 H 0.2973 0.9942 0.7844 0.052 Uiso 1 1 calc R . .
C26 C 0.4022(8) 0.8701(8) 0.7581(5) 0.033(2) Uani 1 1 d . . .
C27 C 0.3888(8) 0.8708(7) 0.6795(5) 0.034(2) Uani 1 1 d . . .
H27A H 0.4222 0.8060 0.6533 0.041 Uiso 1 1 calc R . .
H27B H 0.3036 0.8651 0.6562 0.041 Uiso 1 1 calc R . .
C28 C 0.5596(10) 0.7250(9) 0.8925(6) 0.049(3) Uani 1 1 d . . .
H28A H 0.5245 0.6497 0.8720 0.074 Uiso 1 1 calc R . .
H28B H 0.5668 0.7484 0.9442 0.074 Uiso 1 1 calc R . .
H28C H 0.6381 0.7301 0.8830 0.074 Uiso 1 1 calc R . .
C29 C 0.9066(8) 0.9480(7) 0.7874(5) 0.0309(19) Uani 1 1 d . . .
C30 C 1.0281(8) 1.0125(7) 0.8289(5) 0.037(2) Uani 1 1 d . . .
H30A H 1.0890 0.9798 0.8040 0.044 Uiso 1 1 calc R . .
H30B H 1.0481 1.0037 0.8772 0.044 Uiso 1 1 calc R . .
C31 C 1.1937(10) 1.2248(10) 0.8899(8) 0.080(4) Uani 1 1 d . . .
H31A H 1.2007 1.3035 0.8987 0.120 Uiso 1 1 calc R . .
H31B H 1.2492 1.1917 0.8616 0.120 Uiso 1 1 calc R . .
H31C H 1.2120 1.2091 0.9357 0.120 Uiso 1 1 calc R . .
C32 C 1.0023(13) 1.1935(11) 0.7499(7) 0.070(4) Uani 1 1 d . . .
H32A H 0.9236 1.1590 0.7223 0.105 Uiso 1 1 calc R . .
H32B H 1.0613 1.1637 0.7234 0.105 Uiso 1 1 calc R . .
H32C H 1.0042 1.2720 0.7575 0.105 Uiso 1 1 calc R . .
C33 C 0.9342(12) 1.2383(10) 0.8913(7) 0.070(4) Uani 1 1 d . . .
H33A H 0.9284 1.3114 0.8865 0.105 Uiso 1 1 calc R . .
H33B H 0.9641 1.2436 0.9418 0.105 Uiso 1 1 calc R . .
H33C H 0.8558 1.1979 0.8733 0.105 Uiso 1 1 calc R . .
C34 C 0.8371(9) 0.9777(9) 0.8999(5) 0.044(2) Uani 1 1 d . . .
H34 H 0.8989 1.0409 0.9190 0.053 Uiso 1 1 calc R . .
C35 C 0.8787(11) 0.8888(10) 0.9351(6) 0.061(3) Uani 1 1 d . . .
H35A H 0.8197 0.8258 0.9156 0.091 Uiso 1 1 calc R . .
H35B H 0.8883 0.9176 0.9869 0.091 Uiso 1 1 calc R . .
H35C H 0.9545 0.8669 0.9248 0.091 Uiso 1 1 calc R . .
C36 C 0.7208(10) 1.0156(10) 0.9196(6) 0.057(3) Uani 1 1 d . . .
H36A H 0.6987 1.0776 0.9025 0.086 Uiso 1 1 calc R . .
H36B H 0.7320 1.0371 0.9717 0.086 Uiso 1 1 calc R . .
H36C H 0.6579 0.9560 0.8972 0.086 Uiso 1 1 calc R . .
C37 C 0.9670(8) 0.8953(8) 0.6723(5) 0.039(2) Uani 1 1 d . . .
H37 H 1.0196 0.9648 0.6922 0.047 Uiso 1 1 calc R . .
C38 C 0.9029(10) 0.8834(10) 0.5943(5) 0.051(3) Uani 1 1 d . . .
H38A H 0.8449 0.8196 0.5759 0.076 Uiso 1 1 calc R . .
H38B H 0.9607 0.8746 0.5649 0.076 Uiso 1 1 calc R . .
H38C H 0.8623 0.9485 0.5925 0.076 Uiso 1 1 calc R . .
C39 C 1.0432(8) 0.8004(8) 0.6750(6) 0.042(2) Uani 1 1 d . . .
H39A H 1.0899 0.8126 0.7240 0.062 Uiso 1 1 calc R . .
H39B H 1.0964 0.7955 0.6429 0.062 Uiso 1 1 calc R . .
H39C H 0.9919 0.7325 0.6596 0.062 Uiso 1 1 calc R . .
C40 C 0.5769(10) 0.8203(9) 0.5347(5) 0.046(2) Uani 1 1 d . . .
H40A H 0.6493 0.8609 0.5339 0.055 Uiso 1 1 calc R . .
H40B H 0.5170 0.8719 0.5452 0.055 Uiso 1 1 calc R . .
C41 C 0.530(2) 0.7334(12) 0.4650(7) 0.140(9) Uani 1 1 d . . .
H41A H 0.4528 0.7506 0.4407 0.169 Uiso 1 1 calc R . .
H41B H 0.5855 0.7305 0.4337 0.169 Uiso 1 1 calc R . .
C42 C 0.5174(18) 0.6313(12) 0.4764(7) 0.106(6) Uani 1 1 d . . .
H42A H 0.5761 0.5840 0.4578 0.128 Uiso 1 1 calc R . .
H42B H 0.4373 0.5950 0.4514 0.128 Uiso 1 1 calc R . .
C43 C 0.5365(11) 0.6511(8) 0.5543(6) 0.053(3) Uani 1 1 d . . .
H43A H 0.5827 0.5949 0.5693 0.063 Uiso 1 1 calc R . .
H43B H 0.4599 0.6498 0.5677 0.063 Uiso 1 1 calc R . .
C44 C 0.4505(8) 0.9738(8) 0.6729(5) 0.035(2) Uani 1 1 d . . .
C45 C 0.6413(9) 1.0930(8) 0.7156(6) 0.043(2) Uani 1 1 d . . .
H45 H 0.7223 1.0883 0.7438 0.052 Uiso 1 1 calc R . .
C46 C 0.6586(10) 1.1138(10) 0.6479(7) 0.059(3) Uani 1 1 d . . .
H46A H 0.7046 1.0582 0.6244 0.088 Uiso 1 1 calc R . .
H46B H 0.7010 1.1856 0.6601 0.088 Uiso 1 1 calc R . .
H46C H 0.5813 1.1109 0.6154 0.088 Uiso 1 1 calc R . .
C47 C 0.5922(10) 1.1897(9) 0.7633(7) 0.063(3) Uani 1 1 d . . .
H47A H 0.5205 1.2085 0.7349 0.094 Uiso 1 1 calc R . .
H47B H 0.6517 1.2524 0.7820 0.094 Uiso 1 1 calc R . .
H47C H 0.5733 1.1697 0.8032 0.094 Uiso 1 1 calc R . .
C48 C 0.2636(8) 1.0257(8) 0.6143(5) 0.040(2) Uani 1 1 d . . .
H48 H 0.2255 0.9932 0.6444 0.048 Uiso 1 1 calc R . .
C49 C 0.2148(10) 1.1348(10) 0.6135(7) 0.064(3) Uani 1 1 d . . .
H49A H 0.2366 1.1860 0.6620 0.096 Uiso 1 1 calc R . .
H49B H 0.1285 1.1240 0.5967 0.096 Uiso 1 1 calc R . .
H49C H 0.2482 1.1639 0.5814 0.096 Uiso 1 1 calc R . .
C50 C 0.2359(11) 0.9474(11) 0.5361(6) 0.062(3) Uani 1 1 d . . .
H50A H 0.2725 0.9798 0.5066 0.092 Uiso 1 1 calc R . .
H50B H 0.1501 0.9356 0.5165 0.092 Uiso 1 1 calc R . .
H50C H 0.2675 0.8779 0.5360 0.092 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Lu1 0.0259(2) 0.0348(2) 0.0284(2) 0.00974(16) 0.00626(15) -0.00078(14)
P1 0.0310(13) 0.0378(14) 0.0329(13) 0.0094(11) 0.0080(10) 0.0034(10)
Si1 0.0420(16) 0.0361(15) 0.0512(18) 0.0089(13) 0.0073(13) -0.0051(12)
O 0.036(4) 0.048(4) 0.033(4) 0.013(3) 0.001(3) 0.000(3)
N1 0.029(4) 0.036(4) 0.028(4) 0.011(3) 0.009(3) 0.004(3)
N2 0.029(4) 0.037(4) 0.034(4) 0.008(3) 0.008(3) -0.003(3)
N3 0.027(4) 0.041(4) 0.029(4) 0.007(3) 0.006(3) 0.002(3)
N4 0.029(4) 0.042(5) 0.041(5) 0.009(4) 0.011(3) 0.001(3)
N5 0.037(4) 0.044(5) 0.040(5) 0.019(4) 0.005(4) 0.005(4)
C1 0.033(5) 0.046(6) 0.026(5) 0.001(4) 0.004(4) 0.002(4)
C2 0.054(7) 0.051(7) 0.044(6) 0.006(5) 0.011(5) 0.003(5)
C3 0.086(10) 0.096(11) 0.033(7) 0.004(7) 0.023(6) -0.026(8)
C4 0.074(9) 0.075(10) 0.070(10) -0.030(8) 0.023(8) -0.001(8)
C5 0.072(9) 0.053(7) 0.057(8) 0.002(6) 0.016(7) 0.013(6)
C6 0.047(6) 0.051(7) 0.037(6) 0.005(5) 0.012(5) 0.002(5)
C7 0.043(6) 0.041(6) 0.035(5) 0.008(4) 0.007(4) 0.013(4)
C8 0.074(8) 0.042(6) 0.044(6) 0.016(5) 0.012(6) 0.010(5)
C9 0.077(9) 0.069(8) 0.049(7) 0.031(6) 0.014(6) 0.028(7)
C10 0.078(10) 0.085(10) 0.048(8) 0.028(7) -0.001(7) 0.027(8)
C11 0.055(8) 0.124(14) 0.071(10) 0.023(9) -0.008(7) 0.017(8)
C12 0.046(7) 0.100(10) 0.048(7) 0.018(7) 0.003(6) 0.010(7)
C13 0.036(5) 0.038(5) 0.048(6) 0.019(5) 0.010(4) 0.005(4)
C14 0.038(5) 0.048(6) 0.026(5) 0.019(4) 0.005(4) -0.001(4)
C15 0.042(6) 0.037(5) 0.030(5) 0.007(4) 0.009(4) 0.001(4)
C16 0.048(6) 0.045(6) 0.045(6) 0.019(5) 0.006(5) 0.004(5)
C17 0.065(8) 0.045(6) 0.062(7) 0.027(6) 0.016(6) -0.008(5)
C18 0.051(7) 0.053(7) 0.081(9) 0.025(6) 0.016(6) -0.008(6)
C19 0.036(6) 0.049(6) 0.066(7) 0.021(5) 0.014(5) -0.002(5)
C20 0.040(6) 0.032(5) 0.048(6) 0.016(4) 0.007(5) 0.004(4)
C21 0.024(4) 0.039(5) 0.039(5) 0.014(4) 0.013(4) 0.002(4)
C22 0.027(5) 0.049(6) 0.037(5) 0.021(4) 0.005(4) 0.003(4)
C23 0.044(6) 0.054(6) 0.041(6) 0.016(5) 0.024(5) 0.005(5)
C24 0.054(7) 0.058(7) 0.046(6) 0.014(5) 0.033(5) 0.023(5)
C25 0.038(6) 0.047(6) 0.048(6) 0.016(5) 0.009(5) 0.008(4)
C26 0.026(5) 0.040(5) 0.038(5) 0.017(4) 0.011(4) 0.002(4)
C27 0.033(5) 0.039(5) 0.032(5) 0.016(4) 0.004(4) 0.002(4)
C28 0.054(7) 0.062(7) 0.040(6) 0.024(5) 0.015(5) 0.009(5)
C29 0.030(5) 0.028(5) 0.029(5) 0.006(4) 0.000(4) -0.002(4)
C30 0.030(5) 0.037(5) 0.039(5) 0.005(4) 0.008(4) -0.004(4)
C31 0.042(7) 0.054(8) 0.119(12) 0.014(7) -0.016(7) -0.020(6)
C32 0.096(10) 0.065(8) 0.063(8) 0.034(7) 0.029(7) 0.002(7)
C33 0.089(10) 0.044(7) 0.071(9) 0.006(6) 0.024(8) 0.009(6)
C34 0.043(6) 0.052(6) 0.034(6) 0.010(5) 0.010(4) 0.000(5)
C35 0.071(8) 0.077(8) 0.032(6) 0.022(6) 0.002(5) -0.004(6)
C36 0.052(7) 0.072(8) 0.044(7) 0.002(6) 0.022(5) 0.002(6)
C37 0.037(5) 0.049(6) 0.034(5) 0.012(4) 0.017(4) -0.004(4)
C38 0.053(7) 0.067(7) 0.038(6) 0.016(5) 0.024(5) -0.002(5)
C39 0.030(5) 0.044(6) 0.047(6) 0.004(5) 0.016(4) 0.005(4)
C40 0.056(7) 0.047(6) 0.037(6) 0.021(5) 0.007(5) -0.002(5)
C41 0.30(3) 0.063(10) 0.037(8) 0.025(7) -0.007(12) -0.032(13)
C42 0.185(18) 0.072(10) 0.039(8) 0.020(7) -0.017(9) -0.035(10)
C43 0.068(8) 0.033(6) 0.047(6) 0.004(5) 0.004(5) -0.008(5)
C44 0.033(5) 0.037(5) 0.034(5) 0.011(4) 0.010(4) 0.002(4)
C45 0.037(6) 0.038(6) 0.053(6) 0.011(5) 0.011(5) 0.009(4)
C46 0.050(7) 0.058(7) 0.072(8) 0.028(6) 0.011(6) -0.009(5)
C47 0.052(7) 0.035(6) 0.092(10) 0.014(6) 0.006(6) -0.001(5)
C48 0.034(5) 0.046(6) 0.042(6) 0.020(5) 0.007(4) 0.005(4)
C49 0.047(7) 0.058(7) 0.087(9) 0.030(7) 0.004(6) 0.021(6)
C50 0.054(7) 0.078(9) 0.050(7) 0.021(6) 0.005(6) 0.007(6)

_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
Lu1 N4 2.222(8) . ?
Lu1 N3 2.246(7) . ?
Lu1 N1 2.304(7) . ?
Lu1 N2 2.329(7) . ?
Lu1 O 2.381(6) . ?
Lu1 P1 3.033(3) . ?
P1 C13 1.776(9) . ?
P1 C7 1.824(10) . ?
P1 C1 1.845(9) . ?
Si1 C33 1.818(12) . ?
Si1 C32 1.845(12) . ?
Si1 C31 1.863(11) . ?
Si1 C30 1.901(10) . ?
O C40 1.459(11) . ?
O C43 1.466(11) . ?
N1 C14 1.383(12) . ?
N1 C21 1.426(11) . ?
N2 C29 1.348(11) . ?
N2 C37 1.457(11) . ?
N3 C29 1.339(11) . ?
N3 C34 1.474(12) . ?
N4 C44 1.372(11) . ?
N4 C45 1.490(12) . ?
N5 C44 1.301(12) . ?
N5 C48 1.449(12) . ?
C1 C6 1.362(14) . ?
C1 C2 1.376(14) . ?
C2 C3 1.392(16) . ?
C3 C4 1.38(2) . ?
C4 C5 1.374(19) . ?
C5 C6 1.365(15) . ?
C7 C12 1.367(15) . ?
C7 C8 1.383(14) . ?
C8 C9 1.389(15) . ?
C9 C10 1.317(18) . ?
C10 C11 1.37(2) . ?
C11 C12 1.434(17) . ?
C13 C14 1.367(13) . ?
C14 C15 1.504(13) . ?
C15 C16 1.385(13) . ?
C15 C20 1.395(13) . ?
C16 C17 1.391(14) . ?
C17 C18 1.393(16) . ?
C18 C19 1.346(15) . ?
C19 C20 1.385(13) . ?
C21 C22 1.402(12) . ?
C21 C26 1.416(13) . ?
C22 C23 1.396(13) . ?
C22 C28 1.496(14) . ?
C23 C24 1.347(15) . ?
C24 C25 1.393(14) . ?
C25 C26 1.388(13) . ?
C26 C27 1.527(12) . ?
C27 C44 1.521(12) . ?
C29 C30 1.522(11) . ?
C34 C36 1.515(14) . ?
C34 C35 1.519(15) . ?
C37 C39 1.506(14) . ?
C37 C38 1.511(14) . ?
C40 C41 1.466(17) . ?
C41 C42 1.386(18) . ?
C42 C43 1.446(16) . ?
C45 C46 1.488(15) . ?
C45 C47 1.514(14) . ?
C48 C49 1.504(14) . ?
C48 C50 1.529(15) . ?

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
N4 Lu1 N3 99.8(3) . . ?
N4 Lu1 N1 102.6(3) . . ?
N3 Lu1 N1 108.1(3) . . ?
N4 Lu1 N2 105.7(3) . . ?
N3 Lu1 N2 58.8(3) . . ?
N1 Lu1 N2 150.4(3) . . ?
N4 Lu1 O 86.0(3) . . ?
N3 Lu1 O 157.3(2) . . ?
N1 Lu1 O 91.7(2) . . ?
N2 Lu1 O 98.6(2) . . ?
N4 Lu1 P1 165.8(2) . . ?
N3 Lu1 P1 92.9(2) . . ?
N1 Lu1 P1 66.92(18) . . ?
N2 Lu1 P1 86.41(19) . . ?
O Lu1 P1 84.81(17) . . ?
C13 P1 C7 105.7(5) . . ?
C13 P1 C1 102.0(4) . . ?
C7 P1 C1 100.6(4) . . ?
C13 P1 Lu1 96.5(3) . . ?
C7 P1 Lu1 120.1(3) . . ?
C1 P1 Lu1 128.2(3) . . ?
C33 Si1 C32 107.9(6) . . ?
C33 Si1 C31 107.9(7) . . ?
C32 Si1 C31 109.7(7) . . ?
C33 Si1 C30 112.1(5) . . ?
C32 Si1 C30 112.3(5) . . ?
C31 Si1 C30 106.7(5) . . ?
C40 O C43 106.2(7) . . ?
C40 O Lu1 124.9(5) . . ?
C43 O Lu1 125.9(6) . . ?
C14 N1 C21 118.7(7) . . ?
C14 N1 Lu1 130.2(6) . . ?
C21 N1 Lu1 110.9(5) . . ?
C29 N2 C37 120.1(7) . . ?
C29 N2 Lu1 91.8(5) . . ?
C37 N2 Lu1 147.7(6) . . ?
C29 N3 C34 121.1(7) . . ?
C29 N3 Lu1 95.8(5) . . ?
C34 N3 Lu1 143.2(6) . . ?
C44 N4 C45 118.2(8) . . ?
C44 N4 Lu1 124.8(6) . . ?
C45 N4 Lu1 116.4(6) . . ?
C44 N5 C48 120.9(8) . . ?
C6 C1 C2 119.0(9) . . ?
C6 C1 P1 121.6(7) . . ?
C2 C1 P1 119.3(8) . . ?
C1 C2 C3 120.1(12) . . ?
C4 C3 C2 119.0(12) . . ?
C5 C4 C3 120.9(12) . . ?
C6 C5 C4 118.4(13) . . ?
C1 C6 C5 122.5(11) . . ?
C12 C7 C8 118.6(10) . . ?
C12 C7 P1 118.7(9) . . ?
C8 C7 P1 122.6(8) . . ?
C7 C8 C9 120.8(12) . . ?
C10 C9 C8 120.6(12) . . ?
C9 C10 C11 121.4(12) . . ?
C10 C11 C12 119.0(13) . . ?
C7 C12 C11 119.5(13) . . ?
C14 C13 P1 119.0(7) . . ?
C13 C14 N1 122.7(8) . . ?
C13 C14 C15 118.1(9) . . ?
N1 C14 C15 118.9(8) . . ?
C16 C15 C20 118.3(9) . . ?
C16 C15 C14 119.5(9) . . ?
C20 C15 C14 122.1(8) . . ?
C15 C16 C17 120.1(10) . . ?
C16 C17 C18 120.6(10) . . ?
C19 C18 C17 119.1(10) . . ?
C18 C19 C20 121.5(11) . . ?
C19 C20 C15 120.4(9) . . ?
C22 C21 C26 118.5(8) . . ?
C22 C21 N1 122.5(8) . . ?
C26 C21 N1 118.8(8) . . ?
C23 C22 C21 119.5(9) . . ?
C23 C22 C28 119.6(9) . . ?
C21 C22 C28 120.9(9) . . ?
C24 C23 C22 122.2(9) . . ?
C23 C24 C25 119.1(9) . . ?
C26 C25 C24 121.0(10) . . ?
C25 C26 C21 119.6(9) . . ?
C25 C26 C27 119.1(9) . . ?
C21 C26 C27 121.4(8) . . ?
C44 C27 C26 113.8(7) . . ?
N3 C29 N2 113.5(7) . . ?
N3 C29 C30 123.1(8) . . ?
N2 C29 C30 123.4(8) . . ?
C29 C30 Si1 115.4(7) . . ?
N3 C34 C36 110.2(8) . . ?
N3 C34 C35 110.8(8) . . ?
C36 C34 C35 108.8(9) . . ?
N2 C37 C39 112.0(8) . . ?
N2 C37 C38 108.2(8) . . ?
C39 C37 C38 110.1(8) . . ?
O C40 C41 104.6(9) . . ?
C42 C41 C40 110.5(11) . . ?
C41 C42 C43 107.3(12) . . ?
C42 C43 O 106.0(9) . . ?
N5 C44 N4 124.6(8) . . ?
N5 C44 C27 123.5(8) . . ?
N4 C44 C27 111.9(8) . . ?
C46 C45 N4 113.7(8) . . ?
C46 C45 C47 112.2(10) . . ?
N4 C45 C47 113.1(8) . . ?
N5 C48 C49 109.1(8) . . ?
N5 C48 C50 109.9(8) . . ?
C49 C48 C50 109.0(9) . . ?

_diffrn_measured_fraction_theta_max 0.981
_diffrn_reflns_theta_full        25.39
_diffrn_measured_fraction_theta_full 0.981
_refine_diff_density_max         2.435
_refine_diff_density_min         -0.589
_refine_diff_density_rms         0.176