Electronic Supplementary Material for CrystEngComm
This journal is (c) The Royal Society of Chemistry 2008

data_global
_journal_name_full               CrystEngComm
_journal_coden_cambridge         1350

_publ_contact_author_name        'Prof. Guo-Yu Yang'
_publ_contact_author_address     
; State Key Laboratory of The Structural Chemistry
Fujian Institute of Research on the structure of matter
Chinese Academy of Sciences
Fuzhou, Fujian 350002
P. R. China
;
_publ_contact_author_email       ygy@ms.fjirsm.ac.cn
_publ_contact_author_fax         '86 591 3710051'
_publ_contact_author_phone       '86 591 3710051'

_publ_requested_coeditor_name    ?

#==========================================================================
# TITLE AND AUTHOR LIST

_publ_section_title              
;
Unprecedented (5,12)-connected binodal nets
constructed by dinuclear lanthanide cores and copper centers
;

loop_
_publ_author_name
_publ_author_address
'Jian-Wen Cheng'
;
Current address: State Key Laboratory of The Structural Chemistry
Fujian Institute of Research on the structure of matter
Chinese Academy of Sciences
Fuzhou, Fujian 350002
P. R. China
;
'Jie Zhang'
;
State Key Laboratory of The Structural Chemistry
Fujian Institute of Research on the structure of matter
Chinese Academy of Sciences
Fuzhou, Fujian 350002
P. R. China
;
'Shou-Tian Zheng'
;
State Key Laboratory of The Structural Chemistry
Fujian Institute of Research on the structure of matter
Chinese Academy of Sciences
Fuzhou, Fujian 350002
P. R. China
;
'Guo-Yu Yang'
;
State Key Laboratory of The Structural Chemistry
Fujian Institute of Research on the structure of matter
Chinese Academy of Sciences
Fuzhou, Fujian 350002
P. R. China
;

#=====================================================================
data_1
_database_code_depnum_ccdc_archive 'CCDC 662230'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H11 Cu La N2 O9.50'
_chemical_formula_weight         561.70

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'
Cu Cu 0.3201 1.2651 '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                   9.6773(5)
_cell_length_b                   21.6939(9)
_cell_length_c                   9.3825(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.312(2)
_cell_angle_gamma                90.00
_cell_volume                     1780.64(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4878
_cell_measurement_theta_min      3.0494
_cell_measurement_theta_max      27.4835

_exptl_crystal_description       Prism
_exptl_crystal_colour            'light yellow'
_exptl_crystal_size_max          0.3800
_exptl_crystal_size_mid          0.3500
_exptl_crystal_size_min          0.1000
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.095
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1084
_exptl_absorpt_coefficient_mu    3.616
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.268
_exptl_absorpt_correction_T_max  0.697
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'

_exptl_special_details           
;
?
;

_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  'mercury CCD'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            13534
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0258
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         27.48
_reflns_number_total             4068
_reflns_number_gt                3789
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  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^)+(0.0386P)^2^+2.8311P] 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         4068
_refine_ls_number_parameters     253
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0293
_refine_ls_wR_factor_ref         0.0773
_refine_ls_wR_factor_gt          0.0752
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_restrained_S_all      1.109
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
La La 0.638322(19) 0.008571(8) 0.87795(2) 0.01614(7) Uani 1 1 d . . .
Cu Cu 0.69126(5) 0.35610(2) 1.04358(7) 0.03616(14) Uani 1 1 d . . .
C1 C 0.8721(5) 0.36923(19) 0.8724(5) 0.0363(9) Uani 1 1 d . . .
H1A H 0.7932 0.3465 0.7970 0.044 Uiso 1 1 calc R . .
C2 C 0.9921(5) 0.3860(2) 0.8403(5) 0.0377(9) Uani 1 1 d . . .
H2A H 0.9927 0.3762 0.7441 0.045 Uiso 1 1 calc R . .
C3 C 1.1129(4) 0.41806(18) 0.9541(5) 0.0298(8) Uani 1 1 d . . .
H3A H 1.1971 0.4292 0.9366 0.036 Uiso 1 1 calc R . .
C4 C 1.1062(4) 0.43314(15) 1.0946(4) 0.0219(7) Uani 1 1 d . . .
C5 C 0.9783(4) 0.41604(17) 1.1148(5) 0.0274(7) Uani 1 1 d . . .
H5A H 0.9723 0.4274 1.2076 0.033 Uiso 1 1 calc R . .
C6 C 1.2365(4) 0.46648(16) 1.2241(4) 0.0237(7) Uani 1 1 d . . .
C7 C 0.4447(5) 0.30439(18) 1.1031(5) 0.0368(9) Uani 1 1 d . . .
H7A H 0.4256 0.3449 1.1220 0.044 Uiso 1 1 calc R . .
C8 C 0.3558(5) 0.2584(2) 1.1206(6) 0.0457(12) Uani 1 1 d . . .
H8A H 0.2787 0.2678 1.1513 0.055 Uiso 1 1 calc R . .
C9 C 0.3818(5) 0.19776(18) 1.0920(5) 0.0357(9) Uani 1 1 d . . .
H9A H 0.3234 0.1659 1.1039 0.043 Uiso 1 1 calc R . .
C10 C 0.4969(4) 0.18587(15) 1.0454(4) 0.0238(7) Uani 1 1 d . . .
C11 C 0.5811(4) 0.23519(15) 1.0302(5) 0.0276(8) Uani 1 1 d . . .
H11A H 0.6576 0.2272 0.9977 0.033 Uiso 1 1 calc R . .
C12 C 0.5353(4) 0.12303(15) 1.0075(4) 0.0241(7) Uani 1 1 d . . .
C13 C 0.5232(4) 0.03395(14) 0.4963(4) 0.0189(6) Uani 1 1 d . . .
C14 C 1.0080(4) 0.03574(15) 1.0127(4) 0.0219(7) Uani 1 1 d . . .
N1 N 0.8619(3) 0.38371(14) 1.0067(4) 0.0298(7) Uani 1 1 d . . .
N2 N 0.5576(4) 0.29356(13) 1.0601(4) 0.0296(7) Uani 1 1 d . . .
O1 O 1.3611(3) 0.46719(14) 1.2133(3) 0.0339(6) Uani 1 1 d . . .
OW1 O 1.0443(7) 0.2628(3) 1.2389(7) 0.0722(15) Uani 0.75 1 d P . .
O2 O 1.2115(3) 0.48985(12) 1.3325(3) 0.0305(6) Uani 1 1 d . . .
OW2 O 0.9076(6) 0.2017(2) 0.9494(6) 0.0586(13) Uani 0.75 1 d P . .
O3 O 0.6192(3) 0.11986(12) 0.9374(4) 0.0379(7) Uani 1 1 d . . .
O4 O 0.4821(3) 0.07635(11) 1.0459(3) 0.0322(6) Uani 1 1 d . . .
O5 O 0.6182(3) 0.05712(11) 0.6239(3) 0.0254(5) Uani 1 1 d . . .
O6 O 0.4645(3) 0.06039(11) 0.3659(3) 0.0265(5) Uani 1 1 d . . .
O7 O 0.8873(3) 0.06614(11) 0.9491(3) 0.0270(5) Uani 1 1 d . . .
O8 O 1.1392(3) 0.05662(12) 1.0933(3) 0.0301(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
La 0.01520(11) 0.01549(11) 0.01728(11) 0.00168(6) 0.00649(8) 0.00117(6)
Cu 0.0273(2) 0.0210(2) 0.0616(4) -0.0049(2) 0.0204(2) -0.00574(17)
C1 0.0296(19) 0.037(2) 0.032(2) -0.0118(17) 0.0039(17) -0.0113(16)
C2 0.045(2) 0.047(2) 0.0196(19) -0.0092(16) 0.0117(18) -0.0116(18)
C3 0.0273(18) 0.037(2) 0.0268(19) -0.0024(15) 0.0130(16) -0.0056(15)
C4 0.0178(15) 0.0232(16) 0.0215(17) -0.0020(13) 0.0053(13) -0.0011(12)
C5 0.0250(17) 0.0297(18) 0.0281(19) -0.0088(15) 0.0118(15) -0.0066(14)
C6 0.0226(16) 0.0259(17) 0.0177(16) -0.0007(13) 0.0039(14) -0.0040(13)
C7 0.037(2) 0.0245(18) 0.052(3) -0.0086(17) 0.022(2) 0.0018(15)
C8 0.045(3) 0.041(2) 0.067(3) -0.016(2) 0.039(3) -0.0051(18)
C9 0.039(2) 0.0267(18) 0.053(3) -0.0038(17) 0.031(2) -0.0066(15)
C10 0.0233(16) 0.0196(15) 0.0292(19) -0.0011(13) 0.0120(15) 0.0002(12)
C11 0.0282(18) 0.0191(16) 0.040(2) -0.0027(14) 0.0192(17) -0.0021(13)
C12 0.0244(16) 0.0152(15) 0.0288(19) 0.0010(13) 0.0075(14) 0.0001(12)
C13 0.0208(15) 0.0163(15) 0.0212(17) -0.0001(12) 0.0107(13) 0.0007(12)
C14 0.0215(16) 0.0253(17) 0.0226(17) -0.0029(13) 0.0129(14) 0.0012(12)
N1 0.0222(14) 0.0264(15) 0.0389(19) -0.0071(13) 0.0113(14) -0.0062(12)
N2 0.0273(15) 0.0180(14) 0.0446(19) -0.0047(13) 0.0164(15) -0.0011(11)
O1 0.0188(12) 0.0498(17) 0.0307(15) -0.0039(12) 0.0084(11) -0.0078(11)
OW1 0.090(4) 0.064(3) 0.069(4) 0.004(3) 0.041(3) 0.001(3)
O2 0.0270(14) 0.0380(15) 0.0217(14) -0.0093(10) 0.0059(11) -0.0021(10)
OW2 0.078(3) 0.035(2) 0.071(3) -0.003(2) 0.039(3) -0.012(2)
O3 0.0420(16) 0.0203(12) 0.066(2) -0.0037(12) 0.0365(16) -0.0001(11)
O4 0.0404(15) 0.0193(12) 0.0322(15) 0.0039(10) 0.0110(12) -0.0074(10)
O5 0.0285(13) 0.0243(12) 0.0205(12) -0.0007(9) 0.0077(10) -0.0090(10)
O6 0.0344(14) 0.0194(11) 0.0221(13) 0.0022(9) 0.0085(11) -0.0011(10)
O7 0.0207(12) 0.0239(12) 0.0347(15) 0.0042(10) 0.0101(11) 0.0041(9)
O8 0.0190(12) 0.0273(13) 0.0395(16) -0.0107(11) 0.0081(11) 0.0001(9)

_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
La O4 2.444(2) 3_657 ?
La O8 2.492(2) 3_757 ?
La O3 2.503(3) . ?
La O2 2.506(3) 2_747 ?
La O1 2.513(2) 4_465 ?
La O5 2.536(2) . ?
La O7 2.537(2) . ?
La O6 2.553(2) 3_656 ?
La O4 2.994(3) . ?
La C12 3.110(3) . ?
La La 4.2182(4) 3_657 ?
Cu N1 1.922(3) . ?
Cu N2 1.926(3) . ?
Cu O5 2.251(2) 4_566 ?
C1 N1 1.343(5) . ?
C1 C2 1.368(6) . ?
C1 H1A 0.9300 . ?
C2 C3 1.386(5) . ?
C2 H2A 0.9300 . ?
C3 C4 1.386(5) . ?
C3 H3A 0.9300 . ?
C4 C5 1.381(5) . ?
C4 C6 1.510(5) . ?
C5 N1 1.346(5) . ?
C5 H5A 0.9300 . ?
C6 O2 1.250(4) . ?
C6 O1 1.253(4) . ?
C7 N2 1.337(5) . ?
C7 C8 1.372(6) . ?
C7 H7A 0.9300 . ?
C8 C9 1.387(6) . ?
C8 H8A 0.9300 . ?
C9 C10 1.384(5) . ?
C9 H9A 0.9300 . ?
C10 C11 1.389(5) . ?
C10 C12 1.496(5) . ?
C11 N2 1.337(4) . ?
C11 H11A 0.9300 . ?
C12 O3 1.246(4) . ?
C12 O4 1.257(4) . ?
C13 O6 1.246(4) . ?
C13 O5 1.261(4) . ?
C13 C13 1.550(6) 3_656 ?
C14 O7 1.248(4) . ?
C14 O8 1.252(4) . ?
C14 C14 1.566(7) 3_757 ?
O1 La 2.513(2) 4_666 ?
O2 La 2.506(3) 2_757 ?
O4 La 2.444(2) 3_657 ?
O5 Cu 2.251(2) 4_565 ?
O6 La 2.553(2) 3_656 ?
O8 La 2.492(2) 3_757 ?

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 O8 92.21(9) 3_657 3_757 ?
O4 La O3 124.89(9) 3_657 . ?
O8 La O3 131.77(9) 3_757 . ?
O4 La O2 71.88(9) 3_657 2_747 ?
O8 La O2 73.55(9) 3_757 2_747 ?
O3 La O2 88.78(10) . 2_747 ?
O4 La O1 79.65(9) 3_657 4_465 ?
O8 La O1 146.20(9) 3_757 4_465 ?
O3 La O1 76.93(10) . 4_465 ?
O2 La O1 132.24(9) 2_747 4_465 ?
O4 La O5 137.15(8) 3_657 . ?
O8 La O5 93.04(9) 3_757 . ?
O3 La O5 79.95(9) . . ?
O2 La O5 149.54(8) 2_747 . ?
O1 La O5 72.69(8) 4_465 . ?
O4 La O7 144.29(9) 3_657 . ?
O8 La O7 64.63(8) 3_757 . ?
O3 La O7 67.60(8) . . ?
O2 La O7 75.47(9) 2_747 . ?
O1 La O7 134.66(9) 4_465 . ?
O5 La O7 74.07(8) . . ?
O4 La O6 76.62(8) 3_657 3_656 ?
O8 La O6 75.65(8) 3_757 3_656 ?
O3 La O6 136.67(9) . 3_656 ?
O2 La O6 134.41(8) 2_747 3_656 ?
O1 La O6 70.55(9) 4_465 3_656 ?
O5 La O6 63.71(8) . 3_656 ?
O7 La O6 119.12(8) . 3_656 ?
O4 La O4 78.77(8) 3_657 . ?
O8 La O4 145.97(8) 3_757 . ?
O3 La O4 46.12(8) . . ?
O2 La O4 72.45(8) 2_747 . ?
O1 La O4 64.82(8) 4_465 . ?
O5 La O4 115.94(8) . . ?
O7 La O4 104.84(8) . . ?
O6 La O4 131.95(8) 3_656 . ?
O4 La C12 102.41(9) 3_657 . ?
O8 La C12 144.79(9) 3_757 . ?
O3 La C12 22.48(9) . . ?
O2 La C12 80.80(9) 2_747 . ?
O1 La C12 68.71(9) 4_465 . ?
O5 La C12 97.29(9) . . ?
O7 La C12 86.05(8) . . ?
O6 La C12 138.67(9) 3_656 . ?
O4 La C12 23.66(8) . . ?
O4 La La 44.13(7) 3_657 3_657 ?
O8 La La 127.63(7) 3_757 3_657 ?
O3 La La 80.76(6) . 3_657 ?
O2 La La 66.78(6) 2_747 3_657 ?
O1 La La 66.04(6) 4_465 3_657 ?
O5 La La 137.34(6) . 3_657 ?
O7 La La 130.72(6) . 3_657 ?
O6 La La 109.90(6) 3_656 3_657 ?
O4 La La 34.64(5) . 3_657 ?
C12 La La 58.29(6) . 3_657 ?
N1 Cu N2 153.17(13) . . ?
N1 Cu O5 102.51(11) . 4_566 ?
N2 Cu O5 104.13(11) . 4_566 ?
N1 C1 C2 123.6(3) . . ?
N1 C1 H1A 118.2 . . ?
C2 C1 H1A 118.2 . . ?
C1 C2 C3 118.7(4) . . ?
C1 C2 H2A 120.7 . . ?
C3 C2 H2A 120.7 . . ?
C4 C3 C2 118.9(3) . . ?
C4 C3 H3A 120.5 . . ?
C2 C3 H3A 120.5 . . ?
C5 C4 C3 118.5(3) . . ?
C5 C4 C6 120.5(3) . . ?
C3 C4 C6 121.0(3) . . ?
N1 C5 C4 123.1(3) . . ?
N1 C5 H5A 118.4 . . ?
C4 C5 H5A 118.4 . . ?
O2 C6 O1 126.1(3) . . ?
O2 C6 C4 117.6(3) . . ?
O1 C6 C4 116.3(3) . . ?
N2 C7 C8 122.9(4) . . ?
N2 C7 H7A 118.5 . . ?
C8 C7 H7A 118.5 . . ?
C7 C8 C9 119.4(4) . . ?
C7 C8 H8A 120.3 . . ?
C9 C8 H8A 120.3 . . ?
C10 C9 C8 118.4(3) . . ?
C10 C9 H9A 120.8 . . ?
C8 C9 H9A 120.8 . . ?
C9 C10 C11 118.4(3) . . ?
C9 C10 C12 124.1(3) . . ?
C11 C10 C12 117.5(3) . . ?
N2 C11 C10 123.2(3) . . ?
N2 C11 H11A 118.4 . . ?
C10 C11 H11A 118.4 . . ?
O3 C12 O4 123.1(3) . . ?
O3 C12 C10 117.4(3) . . ?
O4 C12 C10 119.5(3) . . ?
O3 C12 La 50.19(17) . . ?
O4 C12 La 73.0(2) . . ?
C10 C12 La 167.1(2) . . ?
O6 C13 O5 126.1(3) . . ?
O6 C13 C13 117.5(3) . 3_656 ?
O5 C13 C13 116.4(3) . 3_656 ?
O7 C14 O8 126.7(3) . . ?
O7 C14 C14 116.1(4) . 3_757 ?
O8 C14 C14 117.3(3) . 3_757 ?
C1 N1 C5 117.1(3) . . ?
C1 N1 Cu 120.6(3) . . ?
C5 N1 Cu 122.2(3) . . ?
C7 N2 C11 117.6(3) . . ?
C7 N2 Cu 124.3(2) . . ?
C11 N2 Cu 118.0(2) . . ?
C6 O1 La 139.8(2) . 4_666 ?
C6 O2 La 136.4(2) . 2_757 ?
C12 O3 La 107.3(2) . . ?
C12 O4 La 175.0(3) . 3_657 ?
C12 O4 La 83.3(2) . . ?
La O4 La 101.23(8) 3_657 . ?
C13 O5 Cu 102.78(19) . 4_565 ?
C13 O5 La 117.3(2) . . ?
Cu O5 La 138.87(11) 4_565 . ?
C13 O6 La 116.7(2) . 3_656 ?
C14 O7 La 117.0(2) . . ?
C14 O8 La 117.8(2) . 3_757 ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.705
_refine_diff_density_min         -1.307
_refine_diff_density_rms         0.120