#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/61/4086194.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4086194
loop_
_publ_author_name
'Liu, Bo'
'Sun, Guangping'
'Li, Shihui'
'Liu, Dongtao'
'Cui, Dongmei'
_publ_section_title
;
 Isoprene Polymerization with Iminophosphonamide Rare-Earth-Metal Alkyl
 Complexes: Influence of Metal Size on the Regio- and Stereoselectivity
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              4063
_journal_paper_doi               10.1021/acs.organomet.5b00502
_journal_volume                  34
_journal_year                    2015
_chemical_formula_sum            'C59 H70 La N2 O P'
_chemical_formula_weight         993.05
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   38.374(3)
_cell_length_b                   12.6640(9)
_cell_length_c                   21.6208(15)
_cell_measurement_reflns_used    6358
_cell_measurement_temperature    187(2)
_cell_measurement_theta_max      21.91
_cell_measurement_theta_min      2.16
_cell_volume                     10507.0(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      187(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2156
_diffrn_reflns_av_sigmaI/netI    0.1862
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            69864
_diffrn_reflns_theta_full        28.05
_diffrn_reflns_theta_max         28.05
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    0.884
_exptl_absorpt_correction_T_max  0.9327
_exptl_absorpt_correction_T_min  0.8938
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4144
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.769
_refine_diff_density_min         -0.562
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         12541
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.2295
_refine_ls_R_factor_gt           0.0958
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0515P)²+4.4688P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1341
_refine_ls_wR_factor_ref         0.1758
_reflns_number_gt                5347
_reflns_number_total             12541
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5b00502_si_002.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4086191--4086194.cif.
;
_cod_original_cell_volume        10507.1(13)
_cod_original_sg_symbol_H-M      Pbcn
_cod_database_code               4086194
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y, z-1/2'
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
La1 La 0.633031(12) 0.18166(4) 0.489542(18) 0.04165(14) Uani 1 1 d .
N1 N 0.62028(13) 0.1232(4) 0.6009(2) 0.0288(14) Uani 1 1 d .
N2 N 0.62252(13) 0.3149(5) 0.5763(2) 0.0342(14) Uani 1 1 d .
O1 O 0.62581(13) 0.3394(5) 0.4121(2) 0.0577(16) Uani 1 1 d .
P1 P 0.62497(5) 0.23628(14) 0.63442(8) 0.0304(4) Uani 1 1 d .
C1 C 0.61204(19) 0.0263(6) 0.6320(3) 0.0361(18) Uani 1 1 d .
C2 C 0.5762(2) -0.0013(6) 0.6419(3) 0.0425(19) Uani 1 1 d .
C3 C 0.5687(2) -0.0965(7) 0.6717(4) 0.067(3) Uani 1 1 d .
H3 H 0.5451 -0.1157 0.6783 0.081 Uiso 1 1 calc R
C4 C 0.5948(3) -0.1638(7) 0.6922(5) 0.084(3) Uani 1 1 d .
H4 H 0.5891 -0.2276 0.7130 0.100 Uiso 1 1 calc R
C5 C 0.6288(2) -0.1370(6) 0.6819(4) 0.064(2) Uani 1 1 d .
H5 H 0.6466 -0.1831 0.6960 0.076 Uiso 1 1 calc R
C6 C 0.6382(2) -0.0445(6) 0.6514(3) 0.0415(19) Uani 1 1 d .
C7 C 0.67660(19) -0.0251(6) 0.6409(3) 0.043(2) Uani 1 1 d .
H7 H 0.6789 0.0434 0.6183 0.051 Uiso 1 1 calc R
C8 C 0.6963(2) -0.0138(6) 0.7022(3) 0.059(2) Uani 1 1 d .
H8A H 0.6866 0.0455 0.7257 0.089 Uiso 1 1 calc R
H8B H 0.7210 -0.0009 0.6939 0.089 Uiso 1 1 calc R
H8C H 0.6938 -0.0790 0.7263 0.089 Uiso 1 1 calc R
C9 C 0.6937(2) -0.1103(6) 0.6010(4) 0.054(2) Uani 1 1 d .
H9A H 0.6906 -0.1794 0.6206 0.081 Uiso 1 1 calc R
H9B H 0.7186 -0.0952 0.5969 0.081 Uiso 1 1 calc R
H9C H 0.6828 -0.1108 0.5600 0.081 Uiso 1 1 calc R
C10 C 0.54589(19) 0.0661(6) 0.6195(4) 0.051(2) Uani 1 1 d .
H10 H 0.5555 0.1329 0.6017 0.062 Uiso 1 1 calc R
C11 C 0.5206(2) 0.0947(7) 0.6718(4) 0.075(3) Uani 1 1 d .
H11A H 0.5108 0.0299 0.6895 0.112 Uiso 1 1 calc R
H11B H 0.5018 0.1388 0.6554 0.112 Uiso 1 1 calc R
H11C H 0.5332 0.1336 0.7041 0.112 Uiso 1 1 calc R
C12 C 0.5255(2) 0.0094(9) 0.5695(4) 0.101(4) Uani 1 1 d .
H12A H 0.5148 -0.0542 0.5868 0.152 Uiso 1 1 calc R
H12B H 0.5413 -0.0104 0.5358 0.152 Uiso 1 1 calc R
H12C H 0.5073 0.0563 0.5535 0.152 Uiso 1 1 calc R
C13 C 0.59649(18) 0.2610(6) 0.6994(3) 0.0385(18) Uani 1 1 d .
C14 C 0.59553(19) 0.1879(6) 0.7475(3) 0.0441(19) Uani 1 1 d .
H14 H 0.6088 0.1248 0.7442 0.053 Uiso 1 1 calc R
C15 C 0.5757(2) 0.2047(7) 0.8003(4) 0.054(2) Uani 1 1 d .
H15 H 0.5755 0.1544 0.8329 0.065 Uiso 1 1 calc R
C16 C 0.5562(2) 0.2952(7) 0.8044(4) 0.062(3) Uani 1 1 d .
H16 H 0.5425 0.3077 0.8402 0.075 Uiso 1 1 calc R
C17 C 0.5565(2) 0.3664(7) 0.7584(4) 0.066(3) Uani 1 1 d .
H17 H 0.5424 0.4279 0.7620 0.079 Uiso 1 1 calc R
C18 C 0.5767(2) 0.3522(6) 0.7058(4) 0.050(2) Uani 1 1 d .
H18 H 0.5769 0.4046 0.6744 0.060 Uiso 1 1 calc R
C19 C 0.66773(18) 0.2474(5) 0.6702(3) 0.0300(17) Uani 1 1 d .
C20 C 0.6746(2) 0.2742(5) 0.7313(3) 0.0410(19) Uani 1 1 d .
H20 H 0.6557 0.2871 0.7588 0.049 Uiso 1 1 calc R
C21 C 0.7088(3) 0.2825(7) 0.7531(4) 0.061(3) Uani 1 1 d .
H21 H 0.7130 0.3003 0.7951 0.073 Uiso 1 1 calc R
C22 C 0.7362(2) 0.2649(7) 0.7137(4) 0.062(3) Uani 1 1 d .
H22 H 0.7594 0.2700 0.7286 0.075 Uiso 1 1 calc R
C23 C 0.7304(2) 0.2402(6) 0.6532(4) 0.048(2) Uani 1 1 d .
H23 H 0.7494 0.2286 0.6259 0.057 Uiso 1 1 calc R
C24 C 0.6963(2) 0.2320(5) 0.6318(3) 0.0388(19) Uani 1 1 d .
H24 H 0.6925 0.2153 0.5895 0.047 Uiso 1 1 calc R
C25 C 0.6105(2) 0.4220(6) 0.5731(3) 0.042(2) Uani 1 1 d .
C26 C 0.5759(2) 0.4387(6) 0.5521(4) 0.051(2) Uani 1 1 d .
C27 C 0.5644(2) 0.5430(8) 0.5453(4) 0.075(3) Uani 1 1 d .
H27 H 0.5414 0.5554 0.5307 0.090 Uiso 1 1 calc R
C28 C 0.5852(3) 0.6278(8) 0.5590(5) 0.088(4) Uani 1 1 d .
H28 H 0.5766 0.6978 0.5555 0.106 Uiso 1 1 calc R
C29 C 0.6186(3) 0.6097(6) 0.5779(4) 0.065(3) Uani 1 1 d .
H29 H 0.6330 0.6688 0.5869 0.078 Uiso 1 1 calc R
C30 C 0.6327(2) 0.5089(6) 0.5848(4) 0.052(2) Uani 1 1 d .
C31 C 0.6703(2) 0.4954(6) 0.6038(4) 0.053(2) Uani 1 1 d .
H31 H 0.6758 0.4182 0.6029 0.064 Uiso 1 1 calc R
C32 C 0.6763(3) 0.5348(7) 0.6698(4) 0.085(3) Uani 1 1 d .
H32A H 0.6707 0.6102 0.6721 0.128 Uiso 1 1 calc R
H32B H 0.7008 0.5241 0.6811 0.128 Uiso 1 1 calc R
H32C H 0.6614 0.4954 0.6984 0.128 Uiso 1 1 calc R
C33 C 0.6956(2) 0.5514(7) 0.5600(4) 0.067(3) Uani 1 1 d .
H33A H 0.6916 0.5268 0.5176 0.100 Uiso 1 1 calc R
H33B H 0.7196 0.5354 0.5722 0.100 Uiso 1 1 calc R
H33C H 0.6917 0.6278 0.5621 0.100 Uiso 1 1 calc R
C34 C 0.5508(2) 0.3499(7) 0.5367(4) 0.059(2) Uani 1 1 d .
H34 H 0.5630 0.2816 0.5451 0.071 Uiso 1 1 calc R
C35 C 0.5180(2) 0.3522(8) 0.5761(4) 0.081(3) Uani 1 1 d .
H35A H 0.5241 0.3396 0.6195 0.122 Uiso 1 1 calc R
H35B H 0.5019 0.2972 0.5620 0.122 Uiso 1 1 calc R
H35C H 0.5068 0.4215 0.5723 0.122 Uiso 1 1 calc R
C36 C 0.5404(2) 0.3507(7) 0.4680(4) 0.073(3) Uani 1 1 d .
H36A H 0.5242 0.2924 0.4598 0.109 Uiso 1 1 calc R
H36B H 0.5612 0.3421 0.4423 0.109 Uiso 1 1 calc R
H36C H 0.5291 0.4179 0.4580 0.109 Uiso 1 1 calc R
C37 C 0.6944(2) 0.0957(6) 0.4800(3) 0.051(2) Uani 1 1 d .
H37A H 0.7066 0.0875 0.5202 0.061 Uiso 1 1 calc R
H37B H 0.6944 0.0284 0.4567 0.061 Uiso 1 1 calc R
C38 C 0.70650(19) 0.1845(7) 0.4444(3) 0.0433(19) Uani 1 1 d .
C39 C 0.6981(2) 0.1976(7) 0.3814(4) 0.053(2) Uani 1 1 d .
H39 H 0.6854 0.1436 0.3608 0.063 Uiso 1 1 calc R
C40 C 0.7077(2) 0.2865(7) 0.3487(4) 0.061(3) Uani 1 1 d .
H40 H 0.7017 0.2907 0.3061 0.073 Uiso 1 1 calc R
C41 C 0.7253(2) 0.3684(7) 0.3747(4) 0.059(2) Uani 1 1 d .
C42 C 0.7337(2) 0.3597(7) 0.4369(4) 0.065(3) Uani 1 1 d .
H42 H 0.7461 0.4152 0.4568 0.079 Uiso 1 1 calc R
C43 C 0.7243(2) 0.2708(7) 0.4703(4) 0.059(2) Uani 1 1 d .
H43 H 0.7303 0.2680 0.5129 0.071 Uiso 1 1 calc R
C44 C 0.7364(3) 0.4667(7) 0.3388(4) 0.090(3) Uani 1 1 d .
H44A H 0.7605 0.4584 0.3247 0.135 Uiso 1 1 calc R
H44B H 0.7347 0.5288 0.3656 0.135 Uiso 1 1 calc R
H44C H 0.7211 0.4760 0.3029 0.135 Uiso 1 1 calc R
C45 C 0.5824(3) 0.1028(8) 0.4253(4) 0.080(3) Uani 1 1 d .
H45A H 0.5606 0.0917 0.4488 0.096 Uiso 1 1 calc R
H45B H 0.5780 0.1393 0.3856 0.096 Uiso 1 1 calc R
C46 C 0.6041(3) 0.0108(7) 0.4203(4) 0.060(3) Uani 1 1 d .
C47 C 0.6089(3) -0.0575(9) 0.4709(4) 0.075(3) Uani 1 1 d .
H47 H 0.5957 -0.0455 0.5074 0.090 Uiso 1 1 calc R
C48 C 0.6316(3) -0.1399(8) 0.4697(4) 0.071(3) Uani 1 1 d .
H48 H 0.6323 -0.1862 0.5042 0.086 Uiso 1 1 calc R
C49 C 0.6538(3) -0.1592(7) 0.4197(4) 0.068(3) Uani 1 1 d .
C50 C 0.6505(3) -0.0897(8) 0.3699(4) 0.071(3) Uani 1 1 d .
H50 H 0.6648 -0.0992 0.3345 0.086 Uiso 1 1 calc R
C51 C 0.6270(3) -0.0080(8) 0.3707(4) 0.070(3) Uani 1 1 d .
H51 H 0.6261 0.0381 0.3361 0.083 Uiso 1 1 calc R
C52 C 0.6788(3) -0.2512(7) 0.4185(5) 0.098(4) Uani 1 1 d .
H52A H 0.6861 -0.2681 0.4608 0.147 Uiso 1 1 calc R
H52B H 0.6993 -0.2324 0.3938 0.147 Uiso 1 1 calc R
H52C H 0.6673 -0.3127 0.4001 0.147 Uiso 1 1 calc R
C53 C 0.6363(2) 0.4490(7) 0.4197(4) 0.070(3) Uani 1 1 d .
H53A H 0.6619 0.4545 0.4243 0.084 Uiso 1 1 calc R
H53B H 0.6251 0.4804 0.4566 0.084 Uiso 1 1 calc R
C54 C 0.6246(4) 0.5034(10) 0.3626(6) 0.145(6) Uani 1 1 d U
H54A H 0.6034 0.5455 0.3711 0.174 Uiso 1 1 calc R
H54B H 0.6430 0.5517 0.3476 0.174 Uiso 1 1 calc R
C55 C 0.6176(4) 0.4279(10) 0.3188(5) 0.126(5) Uani 1 1 d .
H55A H 0.6363 0.4277 0.2872 0.151 Uiso 1 1 calc R
H55B H 0.5953 0.4443 0.2979 0.151 Uiso 1 1 calc R
C56 C 0.6154(2) 0.3226(8) 0.3483(4) 0.074(3) Uani 1 1 d .
H56A H 0.5914 0.2947 0.3461 0.089 Uiso 1 1 calc R
H56B H 0.6313 0.2720 0.3277 0.089 Uiso 1 1 calc R
C57 C 0.4882(6) 0.3659(17) 0.3061(9) 0.206(8) Uiso 1 1 d .
C58 C 0.4881(7) 0.2925(18) 0.2101(10) 0.251(10) Uiso 1 1 d .
C59 C 0.4697(6) 0.3662(18) 0.2476(12) 0.230(9) Uiso 1 1 d .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N2 La1 N1 58.10(17) . .
N2 La1 C45 122.0(3) . .
N1 La1 C45 104.4(2) . .
N2 La1 C37 118.5(2) . .
N1 La1 C37 97.2(2) . .
C45 La1 C37 118.4(3) . .
N2 La1 O1 87.06(17) . .
N1 La1 O1 143.02(17) . .
C45 La1 O1 82.6(3) . .
C37 La1 O1 111.3(2) . .
N2 La1 C46 145.5(2) . .
N1 La1 C46 101.5(2) . .
C45 La1 C46 30.1(3) . .
C37 La1 C46 89.6(3) . .
O1 La1 C46 101.6(2) . .
N2 La1 C38 112.42(19) . .
N1 La1 C38 119.39(18) . .
C45 La1 C38 122.6(3) . .
C37 La1 C38 28.9(2) . .
O1 La1 C38 83.20(19) . .
C46 La1 C38 101.8(3) . .
N2 La1 P1 29.49(12) . .
N1 La1 P1 29.72(12) . .
C45 La1 P1 122.2(2) . .
C37 La1 P1 104.68(17) . .
O1 La1 P1 116.55(13) . .
C46 La1 P1 129.4(2) . .
C38 La1 P1 113.97(15) . .
C1 N1 P1 125.0(4) . .
C1 N1 La1 136.7(4) . .
P1 N1 La1 98.3(2) . .
C25 N2 P1 130.0(5) . .
C25 N2 La1 129.8(4) . .
P1 N2 La1 99.0(3) . .
C56 O1 C53 108.8(6) . .
C56 O1 La1 121.6(5) . .
C53 O1 La1 128.8(4) . .
N2 P1 N1 101.1(3) . .
N2 P1 C13 117.7(3) . .
N1 P1 C13 115.8(3) . .
N2 P1 C19 109.7(3) . .
N1 P1 C19 111.1(3) . .
C13 P1 C19 101.6(3) . .
N2 P1 La1 51.5(2) . .
N1 P1 La1 51.99(19) . .
C13 P1 La1 148.3(2) . .
C19 P1 La1 110.1(2) . .
C6 C1 N1 121.7(6) . .
C6 C1 C2 118.9(7) . .
N1 C1 C2 119.3(6) . .
C3 C2 C1 118.4(7) . .
C3 C2 C10 118.4(7) . .
C1 C2 C10 123.2(7) . .
C4 C3 C2 122.0(8) . .
C4 C3 H3 119.0 . .
C2 C3 H3 119.0 . .
C5 C4 C3 119.0(8) . .
C5 C4 H4 120.5 . .
C3 C4 H4 120.5 . .
C4 C5 C6 122.3(8) . .
C4 C5 H5 118.9 . .
C6 C5 H5 118.9 . .
C5 C6 C1 119.4(7) . .
C5 C6 C7 117.5(7) . .
C1 C6 C7 123.2(6) . .
C6 C7 C8 111.5(6) . .
C6 C7 C9 112.8(6) . .
C8 C7 C9 110.1(6) . .
C6 C7 H7 107.4 . .
C8 C7 H7 107.4 . .
C9 C7 H7 107.4 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C2 C10 C12 110.8(8) . .
C2 C10 C11 112.4(6) . .
C12 C10 C11 108.2(7) . .
C2 C10 H10 108.4 . .
C12 C10 H10 108.4 . .
C11 C10 H10 108.4 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C18 C13 C14 117.7(7) . .
C18 C13 P1 123.5(6) . .
C14 C13 P1 118.8(6) . .
C15 C14 C13 121.7(8) . .
C15 C14 H14 119.2 . .
C13 C14 H14 119.2 . .
C16 C15 C14 118.7(8) . .
C16 C15 H15 120.6 . .
C14 C15 H15 120.6 . .
C17 C16 C15 120.7(8) . .
C17 C16 H16 119.7 . .
C15 C16 H16 119.7 . .
C16 C17 C18 121.6(8) . .
C16 C17 H17 119.2 . .
C18 C17 H17 119.2 . .
C13 C18 C17 119.6(8) . .
C13 C18 H18 120.2 . .
C17 C18 H18 120.2 . .
C24 C19 C20 117.0(7) . .
C24 C19 P1 116.5(5) . .
C20 C19 P1 126.5(6) . .
C19 C20 C21 121.1(7) . .
C19 C20 H20 119.5 . .
C21 C20 H20 119.5 . .
C22 C21 C20 119.9(8) . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C23 C22 C21 120.4(8) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C22 C23 C24 119.5(8) . .
C22 C23 H23 120.3 . .
C24 C23 H23 120.3 . .
C19 C24 C23 122.2(7) . .
C19 C24 H24 118.9 . .
C23 C24 H24 118.9 . .
C30 C25 C26 120.4(7) . .
C30 C25 N2 122.2(7) . .
C26 C25 N2 117.2(7) . .
C27 C26 C25 118.0(8) . .
C27 C26 C34 118.4(8) . .
C25 C26 C34 123.6(7) . .
C28 C27 C26 122.2(9) . .
C28 C27 H27 118.9 . .
C26 C27 H27 118.9 . .
C29 C28 C27 118.7(9) . .
C29 C28 H28 120.7 . .
C27 C28 H28 120.7 . .
C28 C29 C30 123.5(9) . .
C28 C29 H29 118.3 . .
C30 C29 H29 118.3 . .
C29 C30 C25 117.2(8) . .
C29 C30 C31 120.3(8) . .
C25 C30 C31 122.4(7) . .
C30 C31 C32 111.2(8) . .
C30 C31 C33 112.6(7) . .
C32 C31 C33 109.3(7) . .
C30 C31 H31 107.9 . .
C32 C31 H31 107.9 . .
C33 C31 H31 107.9 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C35 C34 C26 112.8(8) . .
C35 C34 C36 109.0(7) . .
C26 C34 C36 111.9(7) . .
C35 C34 H34 107.7 . .
C26 C34 H34 107.7 . .
C36 C34 H34 107.7 . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C34 C36 H36A 109.5 . .
C34 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C34 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C38 C37 La1 90.4(5) . .
C38 C37 H37A 113.6 . .
La1 C37 H37A 113.6 . .
C38 C37 H37B 113.6 . .
La1 C37 H37B 113.6 . .
H37A C37 H37B 110.9 . .
C43 C38 C39 113.9(8) . .
C43 C38 C37 123.4(7) . .
C39 C38 C37 122.4(8) . .
C43 C38 La1 109.8(5) . .
C39 C38 La1 95.8(5) . .
C37 C38 La1 60.8(4) . .
C40 C39 C38 122.0(8) . .
C40 C39 H39 119.0 . .
C38 C39 H39 119.0 . .
C41 C40 C39 122.9(8) . .
C41 C40 H40 118.5 . .
C39 C40 H40 118.5 . .
C40 C41 C42 117.2(8) . .
C40 C41 C44 123.4(8) . .
C42 C41 C44 119.5(9) . .
C41 C42 C43 120.5(8) . .
C41 C42 H42 119.7 . .
C43 C42 H42 119.7 . .
C42 C43 C38 123.5(8) . .
C42 C43 H43 118.3 . .
C38 C43 H43 118.3 . .
C41 C44 H44A 109.5 . .
C41 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C41 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C46 C45 La1 85.3(5) . .
C46 C45 H45A 114.4 . .
La1 C45 H45A 114.4 . .
C46 C45 H45B 114.4 . .
La1 C45 H45B 114.4 . .
H45A C45 H45B 111.6 . .
C51 C46 C47 114.0(10) . .
C51 C46 C45 123.8(9) . .
C47 C46 C45 121.1(10) . .
C51 C46 La1 106.6(6) . .
C47 C46 La1 90.4(5) . .
C45 C46 La1 64.6(5) . .
C48 C47 C46 122.8(10) . .
C48 C47 H47 118.6 . .
C46 C47 H47 118.6 . .
C47 C48 C49 122.6(9) . .
C47 C48 H48 118.7 . .
C49 C48 H48 118.7 . .
C48 C49 C50 115.4(10) . .
C48 C49 C52 122.4(9) . .
C50 C49 C52 122.1(10) . .
C51 C50 C49 121.7(9) . .
C51 C50 H50 119.2 . .
C49 C50 H50 119.2 . .
C50 C51 C46 123.2(9) . .
C50 C51 H51 118.4 . .
C46 C51 H51 118.4 . .
C49 C52 H52A 109.5 . .
C49 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C49 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
O1 C53 C54 105.4(8) . .
O1 C53 H53A 110.7 . .
C54 C53 H53A 110.7 . .
O1 C53 H53B 110.7 . .
C54 C53 H53B 110.7 . .
H53A C53 H53B 108.8 . .
C55 C54 C53 108.1(11) . .
C55 C54 H54A 110.1 . .
C53 C54 H54A 110.1 . .
C55 C54 H54B 110.1 . .
C53 C54 H54B 110.1 . .
H54A C54 H54B 108.4 . .
C54 C55 C56 110.0(9) . .
C54 C55 H55A 109.7 . .
C56 C55 H55A 109.7 . .
C54 C55 H55B 109.7 . .
C56 C55 H55B 109.7 . .
H55A C55 H55B 108.2 . .
O1 C56 C55 105.2(8) . .
O1 C56 H56A 110.7 . .
C55 C56 H56A 110.7 . .
O1 C56 H56B 110.7 . .
C55 C56 H56B 110.7 . .
H56A C56 H56B 108.8 . .
C58 C57 C59 96.1(18) 4_655 .
C58 C57 C59 45.7(12) 4_655 4_655
C59 C57 C59 83.6(16) . 4_655
C57 C58 C59 91.7(19) 4_655 .
C57 C58 C58 85.0(16) 4_655 4_655
C59 C58 C58 74.2(15) . 4_655
C58 C59 C57 105(2) . .
C58 C59 C57 42.6(12) . 4_655
C57 C59 C57 96.4(16) . 4_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 N2 2.555(5) .
La1 N1 2.566(5) .
La1 C45 2.590(9) .
La1 C37 2.604(8) .
La1 O1 2.620(5) .
La1 C46 2.856(8) .
La1 C38 2.984(7) .
La1 P1 3.2228(18) .
N1 C1 1.434(8) .
N1 P1 1.615(5) .
N2 C25 1.434(8) .
N2 P1 1.606(5) .
O1 C56 1.452(9) .
O1 C53 1.455(9) .
P1 C13 1.808(7) .
P1 C19 1.820(7) .
C1 C6 1.411(10) .
C1 C2 1.437(9) .
C2 C3 1.397(10) .
C2 C10 1.521(10) .
C3 C4 1.386(11) .
C3 H3 0.9500 .
C4 C5 1.367(11) .
C4 H4 0.9500 .
C5 C6 1.392(10) .
C5 H5 0.9500 .
C6 C7 1.509(10) .
C7 C8 1.532(9) .
C7 C9 1.529(9) .
C7 H7 1.0000 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C12 1.515(10) .
C10 C11 1.533(10) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C18 1.390(10) .
C13 C14 1.393(9) .
C14 C15 1.389(9) .
C14 H14 0.9500 .
C15 C16 1.370(10) .
C15 H15 0.9500 .
C16 C17 1.341(11) .
C16 H16 0.9500 .
C17 C18 1.389(10) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C24 1.391(9) .
C19 C20 1.389(9) .
C20 C21 1.398(10) .
C20 H20 0.9500 .
C21 C22 1.373(11) .
C21 H21 0.9500 .
C22 C23 1.363(10) .
C22 H22 0.9500 .
C23 C24 1.390(9) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C30 1.416(10) .
C25 C26 1.418(10) .
C26 C27 1.400(11) .
C26 C34 1.519(11) .
C27 C28 1.371(12) .
C27 H27 0.9500 .
C28 C29 1.364(12) .
C28 H28 0.9500 .
C29 C30 1.394(10) .
C29 H29 0.9500 .
C30 C31 1.508(11) .
C31 C32 1.529(10) .
C31 C33 1.530(10) .
C31 H31 1.0000 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 C35 1.523(10) .
C34 C36 1.538(11) .
C34 H34 1.0000 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 C38 1.440(10) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C38 C43 1.405(10) .
C38 C39 1.410(10) .
C39 C40 1.379(10) .
C39 H39 0.9500 .
C40 C41 1.360(11) .
C40 H40 0.9500 .
C41 C42 1.388(11) .
C41 C44 1.528(11) .
C42 C43 1.385(10) .
C42 H42 0.9500 .
C43 H43 0.9500 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 C46 1.436(12) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 C51 1.406(12) .
C46 C47 1.406(12) .
C47 C48 1.359(13) .
C47 H47 0.9500 .
C48 C49 1.398(12) .
C48 H48 0.9500 .
C49 C50 1.397(11) .
C49 C52 1.510(12) .
C50 C51 1.372(12) .
C50 H50 0.9500 .
C51 H51 0.9500 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 C54 1.483(12) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 C55 1.372(14) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C55 C56 1.481(13) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 C58 1.35(2) 4_655
C57 C59 1.45(2) .
C57 C59 1.99(3) 4_655
C58 C57 1.35(2) 4_655
C58 C59 1.42(2) .
C58 C58 1.95(4) 4_655
C59 C57 1.99(3) 4_655
