Electronic Supplementary Material for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2006 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_year ? _journal_volume ? _journal_page_first ? loop_ _publ_author_name _publ_author_address X.-M.Gan ;Department of Chemistry University of New Mexico Albuquerque NM USA 87131 ; I.Binyamin ;Department of Chemistry University of New Mexico Albuquerque NM USA 87131 ; S.Pailloux ;Department of Chemistry University of New Mexico Albuquerque NM USA 87131 ; E.N.Duesler ;Department of Chemistry University of New Mexico Albuquerque NM USA 87131 ; 'Robert T. Paine' ;Department of Chemistry University of New Mexico Albuquerque NM USA 87131 ; _publ_contact_author_address ;Department of Chemistry University of New Mexico Albuquerque NM USA 87131 ; _publ_contact_author_email rtpaine@unm.edu _publ_contact_author_fax {505)277-2609 _publ_contact_author_phone (505)277-1661 _publ_contact_author_name 'Robert T. Paine' _publ_section_title ; Formation of a Layered Framework Structure Based upon 4-Methyl-2,6-bis(methylphosphonic acid)Phenol ; data_rtp98f1 _database_code_depnum_ccdc_archive 'CCDC 601851' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C9 H15 La O9 P2' _chemical_formula_sum 'C9 H15 La O9 P2' _chemical_formula_weight 468.06 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' 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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 12.0120(10) _cell_length_b 8.6050(10) _cell_length_c 13.5380(10) _cell_angle_alpha 90.00 _cell_angle_beta 98.290(10) _cell_angle_gamma 90.00 _cell_volume 1384.7(2) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 31 _cell_measurement_theta_min 1.71 _cell_measurement_theta_max 13.70 _exptl_crystal_description plate _exptl_crystal_colour colorless _exptl_crystal_size_max 0.71 _exptl_crystal_size_mid 0.36 _exptl_crystal_size_min 0.07 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.245 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 912 _exptl_absorpt_coefficient_mu 3.358 _exptl_absorpt_correction_type gaussian _exptl_absorpt_correction_T_min 0.22 _exptl_absorpt_correction_T_max 0.78 _exptl_absorpt_process_details Bruker,XPREP _exptl_special_details ; data to 2-theta=50 deg ; _diffrn_ambient_temperature 293(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 'Bruker P4' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count 97 _diffrn_standards_interval_time ? _diffrn_standards_decay_% 5.0 _diffrn_reflns_number 5108 _diffrn_reflns_av_R_equivalents 0.0189 _diffrn_reflns_av_sigmaI/netI 0.0260 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 1.71 _diffrn_reflns_theta_max 25.00 _reflns_number_total 2440 _reflns_number_gt 2278 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker XSCANS' _computing_cell_refinement 'Bruker XSCANS' _computing_data_reduction 'Bruker SHELXTL' _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^)+(0.0233P)^2^+1.3834P] 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 noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 2440 _refine_ls_number_parameters 191 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0206 _refine_ls_R_factor_gt 0.0194 _refine_ls_wR_factor_ref 0.0531 _refine_ls_wR_factor_gt 0.0527 _refine_ls_goodness_of_fit_ref 1.107 _refine_ls_restrained_S_all 1.107 _refine_ls_shift/su_max 0.003 _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 La La 0.517576(14) 0.729891(19) 0.418888(11) 0.01526(7) Uani 1 1 d . . . P1 P 0.62021(6) 0.90609(9) 0.68119(5) 0.01486(16) Uani 1 1 d . . . P2 P 0.69471(7) 0.35339(9) 0.45589(5) 0.01673(17) Uani 1 1 d . . . O1 O 0.7789(3) 0.7286(3) 0.49716(18) 0.0351(6) Uani 1 1 d . . . H1 H 0.7576 0.8252 0.4953 0.044 Uiso 1 1 d . . . O2 O 0.58284(18) 1.0739(2) 0.69638(14) 0.0199(5) Uani 1 1 d . . . O3 O 0.59949(19) 0.8026(3) 0.76699(15) 0.0231(5) Uani 1 1 d . . . O4 O 0.56810(19) 0.8419(3) 0.58093(15) 0.0265(5) Uani 1 1 d . . . O5 O 0.67267(19) 0.2203(2) 0.52399(16) 0.0225(5) Uani 1 1 d . . . O6 O 0.6965(2) 0.2910(3) 0.34820(16) 0.0248(5) Uani 1 1 d . . . H6 H 0.6629 0.3434 0.2940 0.031 Uiso 1 1 d . . . O7 O 0.60671(19) 0.4776(3) 0.45973(16) 0.0255(5) Uani 1 1 d . . . O8 O 0.39029(18) 0.5248(3) 0.30926(16) 0.0255(5) Uani 1 1 d . . . H8C H 0.4400 0.4642 0.2878 0.032 Uiso 1 1 d . . . H8D H 0.3192 0.5143 0.3324 0.032 Uiso 1 1 d . . . O9 O 0.65689(19) 0.9602(2) 0.40971(15) 0.0242(5) Uani 1 1 d . . . H9D H 0.6416 1.0476 0.4391 0.030 Uiso 1 1 d . . . H9E H 0.6600 0.9962 0.3532 0.030 Uiso 1 1 d . . . C1 C 0.8162(3) 0.6679(4) 0.5899(2) 0.0201(6) Uani 1 1 d . . . C2 C 0.8188(3) 0.7515(4) 0.6777(2) 0.0205(7) Uani 1 1 d . . . C3 C 0.8597(3) 0.6765(4) 0.7669(2) 0.0231(7) Uani 1 1 d . . . H3 H 0.8629 0.7314 0.8264 0.029 Uiso 1 1 calc R . . C4 C 0.8960(3) 0.5232(4) 0.7704(2) 0.0245(7) Uani 1 1 d . . . C5 C 0.8892(3) 0.4416(4) 0.6809(2) 0.0235(7) Uani 1 1 d . . . H5 H 0.9117 0.3381 0.6818 0.029 Uiso 1 1 calc R . . C6 C 0.8494(2) 0.5123(4) 0.5899(2) 0.0201(6) Uani 1 1 d . . . C7 C 0.7714(3) 0.9133(3) 0.6807(2) 0.0202(6) Uani 1 1 d . . . H7A H 0.7874 0.9713 0.6229 0.025 Uiso 1 1 calc R . . H7B H 0.8071 0.9666 0.7401 0.025 Uiso 1 1 calc R . . C8 C 0.8367(3) 0.4240(4) 0.4935(2) 0.0214(6) Uani 1 1 d . . . H8A H 0.8881 0.3364 0.5005 0.027 Uiso 1 1 calc R . . H8B H 0.8576 0.4910 0.4415 0.027 Uiso 1 1 calc R . . C9 C 0.9377(3) 0.4464(5) 0.8690(2) 0.0361(9) Uani 1 1 d . . . H9A H 1.0037 0.4993 0.9005 0.045 Uiso 1 1 calc R . . H9B H 0.9557 0.3397 0.8578 0.045 Uiso 1 1 calc R . . H9C H 0.8802 0.4512 0.9113 0.045 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 La 0.02045(12) 0.01414(11) 0.01127(11) -0.00062(6) 0.00254(7) 0.00125(6) P1 0.0198(4) 0.0139(4) 0.0112(3) 0.0001(3) 0.0033(3) 0.0002(3) P2 0.0198(4) 0.0167(4) 0.0138(4) 0.0003(3) 0.0028(3) 0.0027(3) O1 0.0650(19) 0.0220(12) 0.0189(12) 0.0044(9) 0.0080(12) 0.0081(12) O2 0.0272(12) 0.0161(10) 0.0156(10) 0.0008(8) 0.0007(8) 0.0040(9) O3 0.0284(12) 0.0227(11) 0.0201(11) 0.0059(9) 0.0097(9) 0.0040(10) O4 0.0266(12) 0.0348(13) 0.0176(11) -0.0079(10) 0.0021(9) -0.0036(10) O5 0.0271(12) 0.0231(12) 0.0176(11) 0.0035(9) 0.0044(9) -0.0019(9) O6 0.0355(13) 0.0244(12) 0.0146(11) -0.0001(9) 0.0040(9) 0.0057(10) O7 0.0269(12) 0.0246(12) 0.0243(11) -0.0020(9) 0.0014(9) 0.0075(10) O8 0.0251(12) 0.0275(12) 0.0251(11) -0.0052(9) 0.0074(9) -0.0025(10) O9 0.0330(13) 0.0187(11) 0.0216(11) 0.0004(9) 0.0064(9) 0.0002(10) C1 0.0214(16) 0.0213(16) 0.0181(15) 0.0007(12) 0.0042(12) -0.0009(13) C2 0.0161(15) 0.0230(16) 0.0231(17) -0.0025(12) 0.0050(13) -0.0027(12) C3 0.0178(15) 0.0320(18) 0.0191(15) -0.0045(13) 0.0017(12) 0.0012(14) C4 0.0174(15) 0.0317(18) 0.0240(16) 0.0041(14) 0.0014(12) 0.0021(14) C5 0.0189(16) 0.0210(16) 0.0308(17) 0.0022(13) 0.0034(13) 0.0046(13) C6 0.0149(14) 0.0229(16) 0.0228(15) -0.0011(13) 0.0036(12) -0.0010(13) C7 0.0232(16) 0.0177(15) 0.0201(14) -0.0022(12) 0.0042(12) -0.0046(13) C8 0.0188(16) 0.0213(15) 0.0252(16) -0.0021(13) 0.0074(13) 0.0003(13) C9 0.032(2) 0.048(2) 0.0270(18) 0.0078(16) -0.0002(15) 0.0139(18) _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. h atoms fixed as seen in diff-maps or in ideal positions, with fixed isotropic U=1.25Uequiv of parent atom ; 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 La O4 2.393(2) . ? La O3 2.420(2) 4_575 ? La O7 2.448(2) . ? La O2 2.489(2) 3_676 ? La O5 2.552(2) 3_666 ? La O9 2.608(2) . ? La O8 2.646(2) . ? La O7 2.971(2) 3_666 ? La P2 3.3372(8) 3_666 ? P1 O3 1.512(2) . ? P1 O4 1.515(2) . ? P1 O2 1.535(2) . ? P1 C7 1.819(3) . ? P2 O7 1.510(2) . ? P2 O5 1.517(2) . ? P2 O6 1.557(2) . ? P2 C8 1.813(3) . ? P2 La 3.3372(8) 3_666 ? O1 C1 1.373(4) . ? O1 H1 0.8691 . ? O2 La 2.490(2) 3_676 ? O3 La 2.420(2) 4_576 ? O5 La 2.552(2) 3_666 ? O6 H6 0.9052 . ? O7 La 2.971(2) 3_666 ? O8 H8C 0.8736 . ? O8 H8D 0.9553 . ? O9 H9D 0.8822 . ? O9 H9E 0.8311 . ? C1 C2 1.387(4) . ? C1 C6 1.397(4) . ? C2 C3 1.394(5) . ? C2 C7 1.507(4) . ? C3 C4 1.388(5) . ? C3 H3 0.9300 . ? C4 C5 1.393(4) . ? C4 C9 1.509(4) . ? C5 C6 1.395(4) . ? C5 H5 0.9300 . ? C6 C8 1.499(4) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? 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 O4 La O3 138.16(8) . 4_575 ? O4 La O7 96.04(8) . . ? O3 La O7 82.61(7) 4_575 . ? O4 La O2 109.72(7) . 3_676 ? O3 La O2 76.43(7) 4_575 3_676 ? O7 La O2 154.09(7) . 3_676 ? O4 La O5 76.96(7) . 3_666 ? O3 La O5 140.20(7) 4_575 3_666 ? O7 La O5 117.51(7) . 3_666 ? O2 La O5 72.66(7) 3_676 3_666 ? O4 La O9 70.00(7) . . ? O3 La O9 72.85(7) 4_575 . ? O7 La O9 114.95(7) . . ? O2 La O9 73.20(7) 3_676 . ? O5 La O9 119.70(7) 3_666 . ? O4 La O8 146.37(7) . . ? O3 La O8 73.69(7) 4_575 . ? O7 La O8 74.57(7) . . ? O2 La O8 84.96(7) 3_676 . ? O5 La O8 79.14(7) 3_666 . ? O9 La O8 143.41(7) . . ? O4 La O7 79.42(7) . 3_666 ? O3 La O7 134.33(7) 4_575 3_666 ? O7 La O7 65.19(8) . 3_666 ? O2 La O7 121.18(7) 3_676 3_666 ? O5 La O7 52.41(6) 3_666 3_666 ? O9 La O7 149.33(6) . 3_666 ? O8 La O7 67.26(6) . 3_666 ? O4 La P2 74.47(6) . 3_666 ? O3 La P2 147.22(5) 4_575 3_666 ? O7 La P2 92.07(5) . 3_666 ? O2 La P2 97.32(5) 3_676 3_666 ? O5 La P2 25.70(5) 3_666 3_666 ? O9 La P2 136.87(5) . 3_666 ? O8 La P2 73.72(5) . 3_666 ? O7 La P2 26.90(4) 3_666 3_666 ? O3 P1 O4 112.40(14) . . ? O3 P1 O2 111.55(12) . . ? O4 P1 O2 111.84(13) . . ? O3 P1 C7 107.35(14) . . ? O4 P1 C7 107.04(13) . . ? O2 P1 C7 106.25(13) . . ? O7 P2 O5 109.22(13) . . ? O7 P2 O6 112.38(12) . . ? O5 P2 O6 109.63(13) . . ? O7 P2 C8 112.83(14) . . ? O5 P2 C8 108.76(14) . . ? O6 P2 C8 103.84(14) . . ? O7 P2 La 62.90(9) . 3_666 ? O5 P2 La 46.86(9) . 3_666 ? O6 P2 La 121.10(10) . 3_666 ? C8 P2 La 133.32(10) . 3_666 ? C1 O1 H1 116.5 . . ? P1 O2 La 132.74(11) . 3_676 ? P1 O3 La 148.49(13) . 4_576 ? P1 O4 La 170.35(14) . . ? P2 O5 La 107.44(11) . 3_666 ? P2 O6 H6 121.5 . . ? P2 O7 La 154.93(14) . . ? P2 O7 La 90.21(10) . 3_666 ? La O7 La 114.81(8) . 3_666 ? La O8 H8C 102.6 . . ? La O8 H8D 110.5 . . ? H8C O8 H8D 137.6 . . ? La O9 H9D 116.7 . . ? La O9 H9E 116.2 . . ? H9D O9 H9E 97.9 . . ? O1 C1 C2 123.4(3) . . ? O1 C1 C6 114.9(3) . . ? C2 C1 C6 121.7(3) . . ? C1 C2 C3 117.6(3) . . ? C1 C2 C7 122.7(3) . . ? C3 C2 C7 119.5(3) . . ? C4 C3 C2 122.7(3) . . ? C4 C3 H3 118.7 . . ? C2 C3 H3 118.7 . . ? C3 C4 C5 118.1(3) . . ? C3 C4 C9 120.6(3) . . ? C5 C4 C9 121.3(3) . . ? C4 C5 C6 121.2(3) . . ? C4 C5 H5 119.4 . . ? C6 C5 H5 119.4 . . ? C5 C6 C1 118.7(3) . . ? C5 C6 C8 121.8(3) . . ? C1 C6 C8 119.5(3) . . ? C2 C7 P1 110.5(2) . . ? C2 C7 H7A 109.6 . . ? P1 C7 H7A 109.6 . . ? C2 C7 H7B 109.6 . . ? P1 C7 H7B 109.6 . . ? H7A C7 H7B 108.1 . . ? C6 C8 P2 112.8(2) . . ? C6 C8 H8A 109.0 . . ? P2 C8 H8A 109.0 . . ? C6 C8 H8B 109.0 . . ? P2 C8 H8B 109.0 . . ? H8A C8 H8B 107.8 . . ? C4 C9 H9A 109.5 . . ? C4 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C4 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O3 P1 O2 La -138.66(15) . . . 3_676 ? O4 P1 O2 La -11.8(2) . . . 3_676 ? C7 P1 O2 La 104.66(18) . . . 3_676 ? O4 P1 O3 La -118.2(3) . . . 4_576 ? O2 P1 O3 La 8.4(3) . . . 4_576 ? O7 P2 O5 La 8.89(15) . . . 3_666 ? O6 P2 O5 La -114.66(12) . . . 3_666 ? C8 P2 O5 La 132.42(12) . . . 3_666 ? O5 P2 O7 La 176.4(3) . . . . ? O6 P2 O7 La -61.7(3) . . . . ? C8 P2 O7 La 55.3(3) . . . . ? La P2 O7 La -176.3(3) 3_666 . . . ? O5 P2 O7 La -7.27(12) . . . 3_666 ? O6 P2 O7 La 114.62(11) . . . 3_666 ? C8 P2 O7 La -128.37(12) . . . 3_666 ? O4 La O7 P2 -108.7(3) . . . . ? O3 La O7 P2 29.2(3) 4_575 . . . ? O2 La O7 P2 65.2(4) 3_676 . . . ? O5 La O7 P2 172.9(3) 3_666 . . . ? O9 La O7 P2 -38.0(3) . . . . ? O8 La O7 P2 104.2(3) . . . . ? O7 La O7 P2 175.9(4) 3_666 . . . ? P2 La O7 P2 176.7(3) 3_666 . . . ? O4 La O7 La 75.38(9) . . . 3_666 ? O3 La O7 La -146.75(9) 4_575 . . 3_666 ? O2 La O7 La -110.70(15) 3_676 . . 3_666 ? O5 La O7 La -3.05(11) 3_666 . . 3_666 ? O9 La O7 La 146.10(7) . . . 3_666 ? O8 La O7 La -71.69(8) . . . 3_666 ? O7 La O7 La 0.0 3_666 . . 3_666 ? P2 La O7 La 0.78(7) 3_666 . . 3_666 ? O1 C1 C2 C3 -179.3(3) . . . . ? C6 C1 C2 C3 2.2(5) . . . . ? O1 C1 C2 C7 5.5(5) . . . . ? C6 C1 C2 C7 -173.0(3) . . . . ? C1 C2 C3 C4 -0.7(5) . . . . ? C7 C2 C3 C4 174.6(3) . . . . ? C2 C3 C4 C5 -1.0(5) . . . . ? C2 C3 C4 C9 -178.9(3) . . . . ? C3 C4 C5 C6 1.3(5) . . . . ? C9 C4 C5 C6 179.2(3) . . . . ? C4 C5 C6 C1 0.1(5) . . . . ? C4 C5 C6 C8 -177.2(3) . . . . ? O1 C1 C6 C5 179.5(3) . . . . ? C2 C1 C6 C5 -1.9(5) . . . . ? O1 C1 C6 C8 -3.2(4) . . . . ? C2 C1 C6 C8 175.4(3) . . . . ? C1 C2 C7 P1 82.5(3) . . . . ? C3 C2 C7 P1 -92.6(3) . . . . ? O3 P1 C7 C2 54.2(2) . . . . ? O4 P1 C7 C2 -66.7(2) . . . . ? O2 P1 C7 C2 173.6(2) . . . . ? C5 C6 C8 P2 96.4(3) . . . . ? C1 C6 C8 P2 -80.9(3) . . . . ? O7 P2 C8 C6 49.1(3) . . . . ? O5 P2 C8 C6 -72.2(3) . . . . ? O6 P2 C8 C6 171.1(2) . . . . ? La P2 C8 C6 -24.5(3) 3_666 . . . ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 0.457 _refine_diff_density_min -0.568 _refine_diff_density_rms 0.097