data_2005src0300
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C38 H33 Al B F15 Li O2 P'
_chemical_formula_sum
 'C38 H33 Al B F15 Li O2 P'
_chemical_formula_weight          882.34
 
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'
 'Li'  'Li'  -0.0003   0.0001
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'B'  'B'   0.0013   0.0007
 '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'
 'F'  'F'   0.0171   0.0103
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Al'  'Al'   0.0645   0.0514
 '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'
 
_symmetry_cell_setting            Triclinic
_symmetry_space_group_name_H-M    P-1
_symmetry_space_group_name_hall   '-P 1'
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
 
_cell_length_a                    12.277(2)
_cell_length_b                    12.334(2)
_cell_length_c                    14.628(3)
_cell_angle_alpha                 84.969(12)
_cell_angle_beta                  71.244(13)
_cell_angle_gamma                 73.580(14)
_cell_volume                      2011.8(6)
_cell_formula_units_Z             2
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     9025
_cell_measurement_theta_min       2.91
_cell_measurement_theta_max       27.48
 
_exptl_crystal_description        block
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           0.50
_exptl_crystal_size_mid           0.20
_exptl_crystal_size_min           0.20
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.457
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              896
_exptl_absorpt_coefficient_mu     0.193
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.9096
_exptl_absorpt_correction_T_max   0.9624
_exptl_absorpt_process_details    'SADABS V2.10 (Sheldrick, G.M., 2003)'
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       120(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_monochromator   '10cm confocal mirrors'
_diffrn_measurement_device_type   'Bruker-Nonius KappaCCD Area Detector'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_detector_area_resol_mean  9.091
_diffrn_standards_number          none
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         negligible
_diffrn_reflns_number             41196
_diffrn_reflns_av_R_equivalents   0.0603
_diffrn_reflns_av_sigmaI/netI     0.0479
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_h_max        15
_diffrn_reflns_limit_k_min        -15
_diffrn_reflns_limit_k_max        16
_diffrn_reflns_limit_l_min        -19
_diffrn_reflns_limit_l_max        18
_diffrn_reflns_theta_min          3.74
_diffrn_reflns_theta_max          27.50
_reflns_number_total              9117
_reflns_number_gt                 7606
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        ?
_computing_cell_refinement        'DENZO, COLLECT'
_computing_data_reduction         'DENZO, COLLECT'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'PLATON (Spek, 1990)'
_computing_publication_material   ?
 
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² 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/[σ²(Fo²)+(0.0761P)²+0.7789P] where P=(Fo²+2Fc²)/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      SHELXL
_refine_ls_extinction_coef        0.091(5)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          9117
_refine_ls_number_parameters      549
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0684
_refine_ls_R_factor_gt            0.0573
_refine_ls_wR_factor_ref          0.1501
_refine_ls_wR_factor_gt           0.1422
_refine_ls_goodness_of_fit_ref    1.130
_refine_ls_restrained_S_all       1.130
_refine_ls_shift/su_max           0.006
_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
H2B H 0.383(2) 0.784(2) 0.3539(18) 0.039(6) Uiso 1 1 d . . .
H3B H 0.434(2) 0.778(2) 0.2195(18) 0.036(6) Uiso 1 1 d . . .
H1B H 0.454(3) 0.649(3) 0.289(2) 0.054(8) Uiso 1 1 d . . .
C1 C 0.61152(16) 0.89366(16) 0.28189(14) 0.0276(4) Uani 1 1 d . . .
C2 C 0.6047(2) 0.95373(18) 0.36094(16) 0.0361(5) Uani 1 1 d . . .
H2 H 0.5960 0.9179 0.4221 0.043 Uiso 1 1 calc R . .
C3 C 0.6105(2) 1.0657(2) 0.35138(18) 0.0442(5) Uani 1 1 d . . .
H3 H 0.6052 1.1056 0.4060 0.053 Uiso 1 1 calc R . .
C4 C 0.6239(2) 1.11868(19) 0.26255(18) 0.0417(5) Uani 1 1 d . . .
H4 H 0.6301 1.1942 0.2556 0.050 Uiso 1 1 calc R . .
C5 C 0.6283(2) 1.06082(19) 0.18392(17) 0.0386(5) Uani 1 1 d . . .
H5 H 0.6358 1.0975 0.1232 0.046 Uiso 1 1 calc R . .
C6 C 0.62192(18) 0.94962(18) 0.19321(15) 0.0328(4) Uani 1 1 d . . .
H6 H 0.6246 0.9110 0.1388 0.039 Uiso 1 1 calc R . .
C7 C 0.62842(17) 0.69553(16) 0.40483(14) 0.0284(4) Uani 1 1 d . . .
C8 C 0.5412(2) 0.65802(19) 0.47588(16) 0.0379(5) Uani 1 1 d . . .
H8 H 0.4690 0.6589 0.4645 0.045 Uiso 1 1 calc R . .
C9 C 0.5584(2) 0.6190(2) 0.56414(17) 0.0477(6) Uani 1 1 d . . .
H9 H 0.4982 0.5930 0.6121 0.057 Uiso 1 1 calc R . .
C10 C 0.6624(2) 0.6181(2) 0.58179(17) 0.0454(6) Uani 1 1 d . . .
H10 H 0.6730 0.5936 0.6425 0.055 Uiso 1 1 calc R . .
C11 C 0.7517(2) 0.6531(2) 0.51056(16) 0.0395(5) Uani 1 1 d . . .
H11 H 0.8242 0.6509 0.5220 0.047 Uiso 1 1 calc R . .
C12 C 0.73506(18) 0.69144(18) 0.42256(14) 0.0324(4) Uani 1 1 d . . .
H12 H 0.7965 0.7151 0.3740 0.039 Uiso 1 1 calc R . .
C13 C 0.69827(16) 0.57572(17) 0.07203(14) 0.0281(4) Uani 1 1 d . . .
C14 C 0.71824(17) 0.46276(17) 0.05150(15) 0.0311(4) Uani 1 1 d . . .
C15 C 0.68470(18) 0.42642(18) -0.01997(16) 0.0356(5) Uani 1 1 d . . .
C16 C 0.62756(18) 0.5051(2) -0.07388(15) 0.0353(5) Uani 1 1 d . . .
C17 C 0.60280(18) 0.61888(19) -0.05499(15) 0.0332(4) Uani 1 1 d . . .
C18 C 0.63779(17) 0.65065(17) 0.01695(14) 0.0290(4) Uani 1 1 d . . .
C19 C 0.87366(16) 0.72938(15) 0.07825(13) 0.0258(4) Uani 1 1 d . . .
C20 C 0.91104(17) 0.73766(16) -0.02148(14) 0.0277(4) Uani 1 1 d . . .
C21 C 0.99233(18) 0.79647(17) -0.07302(14) 0.0312(4) Uani 1 1 d . . .
C22 C 1.04121(18) 0.85002(17) -0.02437(15) 0.0330(4) Uani 1 1 d . . .
C23 C 1.00702(18) 0.84558(17) 0.07514(15) 0.0321(4) Uani 1 1 d . . .
C24 C 0.92502(17) 0.78677(16) 0.12298(14) 0.0280(4) Uani 1 1 d . . .
C25 C 0.85752(17) 0.51311(16) 0.22790(14) 0.0278(4) Uani 1 1 d . . .
C26 C 0.97601(17) 0.49197(16) 0.22494(14) 0.0283(4) Uani 1 1 d . . .
C27 C 1.02756(18) 0.41163(18) 0.28228(15) 0.0325(4) Uani 1 1 d . . .
C28 C 0.9595(2) 0.34920(18) 0.34592(15) 0.0366(5) Uani 1 1 d . . .
C29 C 0.8410(2) 0.36603(17) 0.35185(15) 0.0353(5) Uani 1 1 d . . .
C30 C 0.79489(18) 0.44662(17) 0.29255(14) 0.0307(4) Uani 1 1 d . . .
C31 C 1.1593(2) 0.7209(2) 0.28676(19) 0.0463(6) Uani 1 1 d . . .
H31A H 1.1069 0.7174 0.2485 0.056 Uiso 1 1 calc R . .
H31B H 1.2431 0.6923 0.2455 0.056 Uiso 1 1 calc R . .
C32 C 1.1372(3) 0.6466(3) 0.3707(3) 0.0678(8) Uani 1 1 d . . .
H32A H 1.1877 0.6504 0.4097 0.102 Uiso 1 1 calc R . .
H32B H 1.1561 0.5687 0.3488 0.102 Uiso 1 1 calc R . .
H32C H 1.0530 0.6711 0.4098 0.102 Uiso 1 1 calc R . .
C33 C 1.0167(2) 0.8923(2) 0.36201(19) 0.0452(5) Uani 1 1 d . . .
H33A H 0.9974 0.8691 0.4306 0.054 Uiso 1 1 calc R . .
H33B H 0.9646 0.8685 0.3330 0.054 Uiso 1 1 calc R . .
C34 C 0.9964(3) 1.0154(2) 0.3550(2) 0.0558(7) Uani 1 1 d . . .
H34A H 1.0387 1.0397 0.3926 0.084 Uiso 1 1 calc R . .
H34B H 0.9107 1.0522 0.3805 0.084 Uiso 1 1 calc R . .
H34C H 1.0264 1.0367 0.2873 0.084 Uiso 1 1 calc R . .
C35 C 1.3084(2) 1.0821(2) 0.16473(18) 0.0456(6) Uani 1 1 d . . .
H35A H 1.3857 1.1015 0.1408 0.055 Uiso 1 1 calc R . .
H35B H 1.2436 1.1524 0.1681 0.055 Uiso 1 1 calc R . .
C36 C 1.3047(3) 1.0003(3) 0.09743(18) 0.0540(7) Uani 1 1 d . . .
H36A H 1.3725 0.9332 0.0906 0.081 Uiso 1 1 calc R . .
H36B H 1.3091 1.0357 0.0342 0.081 Uiso 1 1 calc R . .
H36C H 1.2299 0.9781 0.1232 0.081 Uiso 1 1 calc R . .
C37 C 1.2996(2) 1.1058(2) 0.32712(18) 0.0423(5) Uani 1 1 d . . .
H37A H 1.2387 1.1790 0.3304 0.051 Uiso 1 1 calc R . .
H37B H 1.3793 1.1203 0.3068 0.051 Uiso 1 1 calc R . .
C38 C 1.2771(2) 1.0505(3) 0.42473(18) 0.0515(6) Uani 1 1 d . . .
H38A H 1.1992 1.0341 0.4436 0.077 Uiso 1 1 calc R . .
H38B H 1.2775 1.1014 0.4723 0.077 Uiso 1 1 calc R . .
H38C H 1.3398 0.9799 0.4219 0.077 Uiso 1 1 calc R . .
Li1 Li 1.2809(3) 0.8835(3) 0.2856(3) 0.0375(8) Uani 1 1 d . . .
B1 B 0.4496(2) 0.7370(2) 0.28997(18) 0.0321(5) Uani 1 1 d . . .
O1 O 1.13801(14) 0.84053(14) 0.31246(11) 0.0400(4) Uani 1 1 d . . .
O2 O 1.29422(13) 1.03282(12) 0.25870(10) 0.0336(3) Uani 1 1 d . . .
F1 F 0.77581(12) 0.38063(11) 0.10052(10) 0.0423(3) Uani 1 1 d . . .
F2 F 0.70806(13) 0.31506(11) -0.03738(11) 0.0486(4) Uani 1 1 d . . .
F3 F 0.59518(13) 0.47178(13) -0.14396(10) 0.0476(4) Uani 1 1 d . . .
F4 F 0.54644(13) 0.69608(12) -0.10757(10) 0.0446(3) Uani 1 1 d . . .
F5 F 0.61453(11) 0.76390(10) 0.03059(9) 0.0346(3) Uani 1 1 d . . .
F6 F 0.86912(11) 0.68507(11) -0.07536(8) 0.0360(3) Uani 1 1 d . . .
F7 F 1.02586(12) 0.79949(12) -0.17005(9) 0.0428(3) Uani 1 1 d . . .
F8 F 1.12226(12) 0.90486(12) -0.07244(10) 0.0447(3) Uani 1 1 d . . .
F9 F 1.05392(13) 0.89855(12) 0.12370(10) 0.0437(3) Uani 1 1 d . . .
F10 F 0.89530(11) 0.78384(11) 0.22101(8) 0.0350(3) Uani 1 1 d . . .
F11 F 1.04828(10) 0.54957(10) 0.16395(9) 0.0355(3) Uani 1 1 d . . .
F12 F 1.14385(11) 0.39199(11) 0.27486(10) 0.0426(3) Uani 1 1 d . . .
F13 F 1.00915(14) 0.26967(12) 0.40094(10) 0.0510(4) Uani 1 1 d . . .
F14 F 0.77537(13) 0.30414(12) 0.41292(10) 0.0507(4) Uani 1 1 d . . .
F15 F 0.67880(11) 0.46140(11) 0.29962(10) 0.0396(3) Uani 1 1 d . . .
Al2 Al 0.76843(5) 0.63447(5) 0.15744(4) 0.02463(15) Uani 1 1 d . . .
P1 P 0.60589(4) 0.74629(4) 0.28884(3) 0.02599(14) Uani 1 1 d . . .
 
 
_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 C2 1.395(3) . ?
C1 C6 1.401(3) . ?
C1 P1 1.831(2) . ?
C2 C3 1.395(3) . ?
C3 C4 1.385(3) . ?
C4 C5 1.385(3) . ?
C5 C6 1.388(3) . ?
C7 C8 1.386(3) . ?
C7 C12 1.401(3) . ?
C7 P1 1.834(2) . ?
C8 C9 1.397(3) . ?
C9 C10 1.379(4) . ?
C10 C11 1.388(3) . ?
C11 C12 1.389(3) . ?
C13 C18 1.386(3) . ?
C13 C14 1.387(3) . ?
C13 Al2 2.008(2) . ?
C14 F1 1.354(2) . ?
C14 C15 1.388(3) . ?
C15 F2 1.351(3) . ?
C15 C16 1.376(3) . ?
C16 F3 1.344(2) . ?
C16 C17 1.383(3) . ?
C17 F4 1.348(2) . ?
C17 C18 1.380(3) . ?
C18 F5 1.364(2) . ?
C19 C20 1.385(3) . ?
C19 C24 1.388(3) . ?
C19 Al2 2.009(2) . ?
C20 F6 1.359(2) . ?
C20 C21 1.386(3) . ?
C21 F7 1.345(2) . ?
C21 C22 1.373(3) . ?
C22 F8 1.338(2) . ?
C22 C23 1.380(3) . ?
C23 F9 1.349(2) . ?
C23 C24 1.378(3) . ?
C24 F10 1.361(2) . ?
C25 C30 1.382(3) . ?
C25 C26 1.390(3) . ?
C25 Al2 2.007(2) . ?
C26 F11 1.351(2) . ?
C26 C27 1.388(3) . ?
C27 F12 1.348(2) . ?
C27 C28 1.377(3) . ?
C28 F13 1.349(2) . ?
C28 C29 1.385(3) . ?
C29 F14 1.340(3) . ?
C29 C30 1.381(3) . ?
C30 F15 1.355(2) . ?
C31 C32 1.466(4) . ?
C31 O1 1.485(3) . ?
C33 O1 1.414(3) . ?
C33 C34 1.468(4) . ?
C35 O2 1.431(3) . ?
C35 C36 1.489(4) . ?
C37 O2 1.432(3) . ?
C37 C38 1.504(4) . ?
Li1 O1 1.887(4) . ?
Li1 O2 1.891(4) . ?
Li1 B1 2.346(4) 1_655 ?
B1 P1 1.949(2) . ?
B1 Li1 2.346(4) 1_455 ?
Al2 P1 2.4538(9) . ?
 
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
C2 C1 C6 118.12(19) . . ?
C2 C1 P1 123.26(15) . . ?
C6 C1 P1 118.62(15) . . ?
C3 C2 C1 120.9(2) . . ?
C4 C3 C2 120.2(2) . . ?
C3 C4 C5 119.5(2) . . ?
C4 C5 C6 120.5(2) . . ?
C5 C6 C1 120.8(2) . . ?
C8 C7 C12 118.70(18) . . ?
C8 C7 P1 120.54(16) . . ?
C12 C7 P1 120.75(15) . . ?
C7 C8 C9 120.6(2) . . ?
C10 C9 C8 120.2(2) . . ?
C9 C10 C11 119.8(2) . . ?
C10 C11 C12 120.0(2) . . ?
C11 C12 C7 120.6(2) . . ?
C18 C13 C14 114.23(18) . . ?
C18 C13 Al2 119.61(15) . . ?
C14 C13 Al2 125.54(15) . . ?
F1 C14 C13 120.32(18) . . ?
F1 C14 C15 116.07(18) . . ?
C13 C14 C15 123.59(19) . . ?
F2 C15 C16 119.80(19) . . ?
F2 C15 C14 120.8(2) . . ?
C16 C15 C14 119.4(2) . . ?
F3 C16 C15 120.4(2) . . ?
F3 C16 C17 120.1(2) . . ?
C15 C16 C17 119.49(19) . . ?
F4 C17 C18 121.55(19) . . ?
F4 C17 C16 119.57(18) . . ?
C18 C17 C16 118.88(19) . . ?
F5 C18 C17 116.50(18) . . ?
F5 C18 C13 119.07(17) . . ?
C17 C18 C13 124.38(19) . . ?
C20 C19 C24 113.51(18) . . ?
C20 C19 Al2 126.48(15) . . ?
C24 C19 Al2 119.78(14) . . ?
F6 C20 C19 120.29(17) . . ?
F6 C20 C21 115.61(17) . . ?
C19 C20 C21 124.10(18) . . ?
F7 C21 C22 119.70(19) . . ?
F7 C21 C20 120.83(19) . . ?
C22 C21 C20 119.45(18) . . ?
F8 C22 C21 120.70(19) . . ?
F8 C22 C23 120.03(19) . . ?
C21 C22 C23 119.26(19) . . ?
F9 C23 C24 121.30(18) . . ?
F9 C23 C22 119.74(18) . . ?
C24 C23 C22 118.96(19) . . ?
F10 C24 C23 116.68(17) . . ?
F10 C24 C19 118.60(17) . . ?
C23 C24 C19 124.71(18) . . ?
C30 C25 C26 114.32(18) . . ?
C30 C25 Al2 118.24(14) . . ?
C26 C25 Al2 127.27(15) . . ?
F11 C26 C27 116.10(17) . . ?
F11 C26 C25 120.70(17) . . ?
C27 C26 C25 123.20(19) . . ?
F12 C27 C28 119.61(18) . . ?
F12 C27 C26 121.00(19) . . ?
C28 C27 C26 119.37(19) . . ?
F13 C28 C27 119.9(2) . . ?
F13 C28 C29 120.0(2) . . ?
C27 C28 C29 120.12(18) . . ?
F14 C29 C30 122.1(2) . . ?
F14 C29 C28 120.00(19) . . ?
C30 C29 C28 117.87(19) . . ?
F15 C30 C29 116.74(18) . . ?
F15 C30 C25 118.14(17) . . ?
C29 C30 C25 125.11(19) . . ?
C32 C31 O1 113.6(2) . . ?
O1 C33 C34 108.7(2) . . ?
O2 C35 C36 109.4(2) . . ?
O2 C37 C38 109.2(2) . . ?
O1 Li1 O2 124.7(2) . . ?
O1 Li1 B1 115.49(19) . 1_655 ?
O2 Li1 B1 119.81(19) . 1_655 ?
P1 B1 Li1 129.11(15) . 1_455 ?
C33 O1 C31 112.70(18) . . ?
C33 O1 Li1 134.1(2) . . ?
C31 O1 Li1 112.67(18) . . ?
C35 O2 C37 112.70(18) . . ?
C35 O2 Li1 122.88(18) . . ?
C37 O2 Li1 124.28(18) . . ?
C25 Al2 C13 113.87(9) . . ?
C25 Al2 C19 110.91(8) . . ?
C13 Al2 C19 109.05(8) . . ?
C25 Al2 P1 103.01(6) . . ?
C13 Al2 P1 109.11(6) . . ?
C19 Al2 P1 110.77(6) . . ?
C1 P1 C7 104.78(9) . . ?
C1 P1 B1 110.73(10) . . ?
C7 P1 B1 109.00(10) . . ?
C1 P1 Al2 110.55(7) . . ?
C7 P1 Al2 109.31(7) . . ?
B1 P1 Al2 112.19(8) . . ?
 
_diffrn_measured_fraction_theta_max    0.988
_diffrn_reflns_theta_full              27.50
_diffrn_measured_fraction_theta_full   0.988
_refine_diff_density_max    0.780
_refine_diff_density_min   -0.471
_refine_diff_density_rms    0.120
