#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:56:22 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178674 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/85/4078540.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_4078540
loop_
_publ_author_name
'Sanden, Tanja'
'Gamer, Michael T.'
'Fagin, Anatoly A.'
'Chudakova, Valentina A.'
'Konchenko, Sergey N.'
'Fedushkin, Igor L.'
'Roesky, Peter W.'
_publ_section_title
;
 Synthesis of Unsupported Ln--Ga Bonds by Salt Metathesis and Ga--Ga Bond
 Reduction
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              4331
_journal_paper_doi               10.1021/om300309b
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C88 H112 Ga2 N4 O4 Sm'
_chemical_formula_sum            'C88 H112 Ga2 N4 O4 Sm'
_chemical_formula_weight         1579.61
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-02-17
_audit_creation_method
;
  Olex2 1.1
  (compiled Nov  1 2011 20:42:30, GUI svn.r3906)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.656(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.7822(4)
_cell_length_b                   14.3724(4)
_cell_length_c                   20.1608(6)
_cell_measurement_reflns_used    41591
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.34
_cell_measurement_theta_min      1.41
_cell_volume                     3993.3(2)
_computing_cell_refinement       'STOE X-AREA, PLATON (A.L.Spek, 2005)'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED, PLATON (A.L.Spek, 2005)'
_computing_molecular_graphics
;
Diamond 2.1e/3

O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.

Microsoft Word
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'area detector'
_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  0.0350
_diffrn_reflns_av_sigmaI/netI    0.0249
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            34618
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    1.447
_exptl_absorpt_correction_T_max  0.9208
_exptl_absorpt_correction_T_min  0.7537
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED & X-SHAPE'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.397
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.205
_refine_diff_density_max         0.498
_refine_diff_density_min         -0.286
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     465
_refine_ls_number_reflns         7239
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0254
_refine_ls_R_factor_gt           0.0196
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0320P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0491
_refine_ls_wR_factor_ref         0.0501
_reflns_number_gt                6179
_reflns_number_total             7239
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300309b_si_002.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4078540
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Sm Sm 0.5000 0.0000 0.5000 0.02143(4) Uani 1 2 d S . .
Ga Ga 0.684515(13) 0.139213(13) 0.502962(9) 0.02223(5) Uani 1 1 d . . .
O1 O 0.55407(10) -0.04486(9) 0.38407(6) 0.0338(3) Uani 1 1 d . . .
O2 O 0.38608(11) 0.12344(11) 0.45791(9) 0.0571(5) Uani 1 1 d . B .
N1 N 0.74998(10) 0.20331(10) 0.57512(7) 0.0216(3) Uani 1 1 d . . .
N2 N 0.78953(10) 0.18854(10) 0.44874(7) 0.0209(3) Uani 1 1 d . . .
C1 C 0.83213(11) 0.24840(11) 0.55339(8) 0.0207(3) Uani 1 1 d . . .
C2 C 0.85367(11) 0.23988(11) 0.48695(8) 0.0199(3) Uani 1 1 d . . .
C3 C 0.94036(11) 0.29605(12) 0.47329(8) 0.0213(3) Uani 1 1 d . . .
C4 C 0.99194(12) 0.32304(12) 0.41820(9) 0.0250(4) Uani 1 1 d . . .
H4 H 0.9747 0.3007 0.3753 0.030 Uiso 1 1 calc R . .
C5 C 1.07154(13) 0.38512(13) 0.42722(10) 0.0301(4) Uani 1 1 d . . .
H5 H 1.1063 0.4046 0.3892 0.036 Uiso 1 1 calc R . .
C6 C 1.10029(13) 0.41796(13) 0.48789(10) 0.0314(4) Uani 1 1 d . . .
H6 H 1.1547 0.4583 0.4915 0.038 Uiso 1 1 calc R . .
C7 C 1.04864(12) 0.39164(13) 0.54558(9) 0.0274(4) Uani 1 1 d . . .
C8 C 1.06658(14) 0.42126(14) 0.61209(10) 0.0356(4) Uani 1 1 d . . .
H8 H 1.1209 0.4597 0.6220 0.043 Uiso 1 1 calc R . .
C9 C 1.00571(15) 0.39439(15) 0.66150(10) 0.0379(5) Uani 1 1 d . . .
H9 H 1.0191 0.4148 0.7055 0.046 Uiso 1 1 calc R . .
C10 C 0.92305(13) 0.33716(13) 0.64984(9) 0.0305(4) Uani 1 1 d . . .
H10 H 0.8811 0.3212 0.6851 0.037 Uiso 1 1 calc R . .
C11 C 0.90506(12) 0.30548(12) 0.58684(8) 0.0231(4) Uani 1 1 d . . .
C12 C 0.96996(12) 0.33299(12) 0.53565(8) 0.0223(3) Uani 1 1 d . . .
C13 C 0.70672(11) 0.23201(11) 0.63545(8) 0.0202(3) Uani 1 1 d . . .
C14 C 0.71763(12) 0.17732(12) 0.69265(8) 0.0239(4) Uani 1 1 d . . .
C15 C 0.67042(13) 0.20523(13) 0.75012(9) 0.0289(4) Uani 1 1 d . . .
H15 H 0.6776 0.1692 0.7894 0.035 Uiso 1 1 calc R . .
C16 C 0.61354(14) 0.28401(13) 0.75119(9) 0.0320(4) Uani 1 1 d . . .
H16 H 0.5820 0.3019 0.7908 0.038 Uiso 1 1 calc R . .
C17 C 0.60260(13) 0.33689(13) 0.69446(9) 0.0300(4) Uani 1 1 d . . .
H17 H 0.5627 0.3907 0.6953 0.036 Uiso 1 1 calc R . .
C18 C 0.64902(12) 0.31276(12) 0.63599(8) 0.0243(4) Uani 1 1 d . . .
C19 C 0.77755(13) 0.08896(14) 0.69252(9) 0.0309(4) Uani 1 1 d . . .
H19 H 0.8045 0.0814 0.6470 0.037 Uiso 1 1 calc R . .
C20 C 0.86307(16) 0.09612(17) 0.74072(11) 0.0460(5) Uani 1 1 d . . .
H20A H 0.9046 0.1483 0.7279 0.069 Uiso 1 1 calc R . .
H20B H 0.9006 0.0383 0.7396 0.069 Uiso 1 1 calc R . .
H20C H 0.8390 0.1064 0.7857 0.069 Uiso 1 1 calc R . .
C21 C 0.71571(18) 0.00389(15) 0.70679(16) 0.0561(7) Uani 1 1 d . . .
H21A H 0.6885 0.0091 0.7513 0.084 Uiso 1 1 calc R . .
H21B H 0.7559 -0.0522 0.7043 0.084 Uiso 1 1 calc R . .
H21C H 0.6628 -0.0001 0.6740 0.084 Uiso 1 1 calc R . .
C22 C 0.63346(14) 0.37111(13) 0.57394(10) 0.0318(4) Uani 1 1 d . . .
H22 H 0.6758 0.3445 0.5387 0.038 Uiso 1 1 calc R . .
C23 C 0.6642(2) 0.47172(16) 0.58401(13) 0.0527(6) Uani 1 1 d . . .
H23A H 0.6222 0.5010 0.6169 0.079 Uiso 1 1 calc R . .
H23B H 0.6586 0.5053 0.5418 0.079 Uiso 1 1 calc R . .
H23C H 0.7317 0.4737 0.5998 0.079 Uiso 1 1 calc R . .
C24 C 0.52941(17) 0.36540(19) 0.54850(13) 0.0564(6) Uani 1 1 d . . .
H24A H 0.5119 0.3001 0.5411 0.085 Uiso 1 1 calc R . .
H24B H 0.5234 0.3998 0.5067 0.085 Uiso 1 1 calc R . .
H24C H 0.4859 0.3926 0.5813 0.085 Uiso 1 1 calc R . .
C25 C 0.80501(11) 0.17331(12) 0.38000(8) 0.0206(3) Uani 1 1 d . . .
C26 C 0.87048(12) 0.10432(12) 0.35914(8) 0.0243(4) Uani 1 1 d . . .
C27 C 0.88136(13) 0.08959(14) 0.29116(9) 0.0305(4) Uani 1 1 d . . .
H27 H 0.9267 0.0445 0.2764 0.037 Uiso 1 1 calc R . .
C28 C 0.82778(14) 0.13895(14) 0.24514(9) 0.0333(4) Uani 1 1 d . . .
H28 H 0.8367 0.1283 0.1991 0.040 Uiso 1 1 calc R . .
C29 C 0.76105(13) 0.20398(14) 0.26590(9) 0.0305(4) Uani 1 1 d . . .
H29 H 0.7230 0.2364 0.2338 0.037 Uiso 1 1 calc R . .
C30 C 0.74848(12) 0.22300(12) 0.33314(8) 0.0237(4) Uani 1 1 d . . .
C31 C 0.92612(13) 0.04409(14) 0.40847(9) 0.0299(4) Uani 1 1 d . . .
H31 H 0.9010 0.0585 0.4537 0.036 Uiso 1 1 calc R . .
C32 C 0.90961(16) -0.05974(15) 0.39587(11) 0.0420(5) Uani 1 1 d . . .
H32A H 0.9413 -0.0960 0.4311 0.063 Uiso 1 1 calc R . .
H32B H 0.9371 -0.0769 0.3530 0.063 Uiso 1 1 calc R . .
H32C H 0.8398 -0.0729 0.3954 0.063 Uiso 1 1 calc R . .
C33 C 1.03440(14) 0.06539(15) 0.40901(11) 0.0375(5) Uani 1 1 d . . .
H33A H 1.0607 0.0543 0.3647 0.056 Uiso 1 1 calc R . .
H33B H 1.0674 0.0250 0.4412 0.056 Uiso 1 1 calc R . .
H33C H 1.0447 0.1306 0.4214 0.056 Uiso 1 1 calc R . .
C34 C 0.67428(12) 0.29434(13) 0.35615(9) 0.0288(4) Uani 1 1 d . . .
H34 H 0.6424 0.2677 0.3962 0.035 Uiso 1 1 calc R . .
C35 C 0.59379(15) 0.31446(16) 0.30538(11) 0.0431(5) Uani 1 1 d . . .
H35A H 0.6211 0.3472 0.2673 0.065 Uiso 1 1 calc R . .
H35B H 0.5439 0.3533 0.3258 0.065 Uiso 1 1 calc R . .
H35C H 0.5647 0.2557 0.2905 0.065 Uiso 1 1 calc R . .
C36 C 0.72249(15) 0.38516(14) 0.37771(11) 0.0384(5) Uani 1 1 d . . .
H36A H 0.7713 0.3723 0.4122 0.058 Uiso 1 1 calc R . .
H36B H 0.6733 0.4275 0.3952 0.058 Uiso 1 1 calc R . .
H36C H 0.7539 0.4141 0.3395 0.058 Uiso 1 1 calc R . .
C37 C 0.61167(18) 0.01641(15) 0.34318(11) 0.0448(6) Uani 1 1 d . . .
H37A H 0.6676 0.0411 0.3689 0.054 Uiso 1 1 calc R . .
H37B H 0.5720 0.0694 0.3272 0.054 Uiso 1 1 calc R . .
C38 C 0.64603(14) -0.04078(15) 0.28584(10) 0.0353(4) Uani 1 1 d . . .
H38A H 0.7087 -0.0715 0.2963 0.042 Uiso 1 1 calc R . .
H38B H 0.6532 -0.0023 0.2455 0.042 Uiso 1 1 calc R . .
C39 C 0.56557(14) -0.11107(14) 0.27749(10) 0.0335(4) Uani 1 1 d . . .
H39A H 0.5885 -0.1676 0.2543 0.040 Uiso 1 1 calc R . .
H39B H 0.5097 -0.0844 0.2527 0.040 Uiso 1 1 calc R . .
C40 C 0.53955(15) -0.13203(14) 0.34849(10) 0.0349(4) Uani 1 1 d . . .
H40A H 0.4712 -0.1527 0.3515 0.042 Uiso 1 1 calc R . .
H40B H 0.5821 -0.1814 0.3670 0.042 Uiso 1 1 calc R . .
C41 C 0.39815(19) 0.19876(17) 0.41219(13) 0.0552(6) Uani 1 1 d . B .
H41A H 0.4009 0.1754 0.3660 0.066 Uiso 1 1 calc R . .
H41B H 0.4584 0.2337 0.4223 0.066 Uiso 1 1 calc R . .
C42 C 0.3111(3) 0.2588(2) 0.4216(2) 0.1006(13) Uani 1 1 d . . .
H42A H 0.2661 0.2526 0.3832 0.121 Uiso 0.70 1 calc PR A 1
H42B H 0.3306 0.3248 0.4257 0.121 Uiso 0.70 1 calc PR A 1
H42C H 0.3235 0.3064 0.4561 0.121 Uiso 0.30 1 calc PR A 2
H42D H 0.2925 0.2902 0.3797 0.121 Uiso 0.30 1 calc PR A 2
C43A C 0.2621(4) 0.2260(3) 0.4850(3) 0.0681(11) Uani 0.70 1 d P B 1
H43A H 0.2875 0.2592 0.5245 0.082 Uiso 0.70 1 calc PR B 1
H43B H 0.1908 0.2334 0.4823 0.082 Uiso 0.70 1 calc PR B 1
C43B C 0.2450(6) 0.2020(7) 0.4398(6) 0.062(3) Uani 0.30 1 d P B 2
H43C H 0.2158 0.1711 0.4005 0.074 Uiso 0.30 1 calc PR B 2
H43D H 0.1932 0.2360 0.4632 0.074 Uiso 0.30 1 calc PR B 2
C44 C 0.28991(19) 0.1303(2) 0.48530(19) 0.0813(11) Uani 1 1 d . . .
H44A H 0.2435 0.0934 0.4583 0.098 Uiso 0.70 1 calc PR B 1
H44B H 0.2899 0.1059 0.5312 0.098 Uiso 0.70 1 calc PR B 1
H44C H 0.2919 0.1521 0.5319 0.098 Uiso 0.30 1 calc PR B 2
H44D H 0.2550 0.0702 0.4828 0.098 Uiso 0.30 1 calc PR B 2
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'
Ga Ga 0.2307 1.6083 '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'
Sm Sm -0.1638 3.4418 '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
O2 Sm O2 180.0 . 3_656
O2 Sm O1 86.72(5) . 3_656
O2 Sm O1 93.28(5) 3_656 3_656
O2 Sm O1 93.28(5) . .
O2 Sm O1 86.72(5) 3_656 .
O1 Sm O1 180.00(6) 3_656 .
O2 Sm Ga 86.70(4) . 3_656
O2 Sm Ga 93.30(4) 3_656 3_656
O1 Sm Ga 86.29(3) 3_656 3_656
O1 Sm Ga 93.71(3) . 3_656
O2 Sm Ga 93.30(4) . .
O2 Sm Ga 86.70(4) 3_656 .
O1 Sm Ga 93.71(3) 3_656 .
O1 Sm Ga 86.29(3) . .
Ga Sm Ga 180.0 3_656 .
N1 Ga N2 84.61(5) . .
N1 Ga Sm 131.87(4) . .
N2 Ga Sm 143.12(4) . .
C37 O1 C40 108.40(14) . .
C37 O1 Sm 122.45(11) . .
C40 O1 Sm 129.09(10) . .
C41 O2 C44 107.93(18) . .
C41 O2 Sm 132.43(14) . .
C44 O2 Sm 119.48(14) . .
C1 N1 C13 119.26(13) . .
C1 N1 Ga 111.22(10) . .
C13 N1 Ga 125.76(10) . .
C2 N2 C25 121.62(13) . .
C2 N2 Ga 110.80(10) . .
C25 N2 Ga 127.53(10) . .
N1 C1 C2 116.90(15) . .
N1 C1 C11 132.97(15) . .
C2 C1 C11 110.13(14) . .
N2 C2 C1 116.46(14) . .
N2 C2 C3 134.88(15) . .
C1 C2 C3 108.49(14) . .
C4 C3 C12 117.48(15) . .
C4 C3 C2 137.02(16) . .
C12 C3 C2 105.38(14) . .
C3 C4 C5 118.44(17) . .
C6 C5 C4 123.10(16) . .
C5 C6 C7 119.87(16) . .
C12 C7 C6 116.21(17) . .
C12 C7 C8 116.39(16) . .
C6 C7 C8 127.36(17) . .
C9 C8 C7 120.01(17) . .
C8 C9 C10 122.72(18) . .
C11 C10 C9 118.80(16) . .
C10 C11 C12 118.02(16) . .
C10 C11 C1 137.16(16) . .
C12 C11 C1 104.81(14) . .
C7 C12 C3 124.86(15) . .
C7 C12 C11 123.98(16) . .
C3 C12 C11 111.10(14) . .
C14 C13 C18 120.75(14) . .
C14 C13 N1 119.93(15) . .
C18 C13 N1 119.24(15) . .
C15 C14 C13 118.39(16) . .
C15 C14 C19 120.14(16) . .
C13 C14 C19 121.45(15) . .
C16 C15 C14 121.37(17) . .
C15 C16 C17 119.77(16) . .
C16 C17 C18 121.19(17) . .
C17 C18 C13 118.52(16) . .
C17 C18 C22 119.87(16) . .
C13 C18 C22 121.56(15) . .
C14 C19 C21 111.55(16) . .
C14 C19 C20 111.12(17) . .
C21 C19 C20 111.41(18) . .
C18 C22 C24 111.83(16) . .
C18 C22 C23 112.26(17) . .
C24 C22 C23 110.92(19) . .
C26 C25 C30 120.47(15) . .
C26 C25 N2 120.23(15) . .
C30 C25 N2 119.12(15) . .
C27 C26 C25 118.44(17) . .
C27 C26 C31 119.79(16) . .
C25 C26 C31 121.73(15) . .
C28 C27 C26 121.38(18) . .
C27 C28 C29 119.94(17) . .
C28 C29 C30 121.19(18) . .
C29 C30 C25 118.51(16) . .
C29 C30 C34 121.23(16) . .
C25 C30 C34 120.25(15) . .
C26 C31 C33 112.16(15) . .
C26 C31 C32 111.96(16) . .
C33 C31 C32 109.94(16) . .
C30 C34 C36 111.77(15) . .
C30 C34 C35 114.07(16) . .
C36 C34 C35 109.83(16) . .
O1 C37 C38 106.57(16) . .
C37 C38 C39 102.42(15) . .
C38 C39 C40 102.13(15) . .
O1 C40 C39 105.22(15) . .
O2 C41 C42 104.8(2) . .
C43B C42 C41 104.1(5) . .
C41 C42 C43A 107.0(3) . .
C44 C43A C42 100.3(3) . .
C42 C43B C44 108.8(6) . .
C43A C44 O2 108.2(3) . .
O2 C44 C43B 100.7(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm O2 2.5105(15) .
Sm O2 2.5105(15) 3_656
Sm O1 2.5443(12) 3_656
Sm O1 2.5444(12) .
Sm Ga 3.23579(18) 3_656
Sm Ga 3.23580(18) .
Ga N1 1.9362(14) .
Ga N2 1.9567(13) .
O1 C37 1.449(2) .
O1 C40 1.456(2) .
O2 C41 1.433(3) .
O2 C44 1.445(3) .
N1 C1 1.380(2) .
N1 C13 1.422(2) .
N2 C2 1.380(2) .
N2 C25 1.422(2) .
C1 C2 1.381(2) .
C1 C11 1.457(2) .
C2 C3 1.471(2) .
C3 C4 1.381(2) .
C3 C12 1.420(2) .
C4 C5 1.424(3) .
C5 C6 1.366(3) .
C6 C7 1.422(3) .
C7 C12 1.386(2) .
C7 C8 1.426(3) .
C8 C9 1.366(3) .
C9 C10 1.422(3) .
C10 C11 1.369(2) .
C11 C12 1.429(2) .
C13 C14 1.402(2) .
C13 C18 1.407(2) .
C14 C15 1.394(2) .
C14 C19 1.515(3) .
C15 C16 1.377(3) .
C16 C17 1.380(3) .
C17 C18 1.392(2) .
C18 C22 1.519(3) .
C19 C21 1.520(3) .
C19 C20 1.523(3) .
C22 C24 1.520(3) .
C22 C23 1.520(3) .
C25 C26 1.408(2) .
C25 C30 1.412(2) .
C26 C27 1.397(2) .
C26 C31 1.519(3) .
C27 C28 1.376(3) .
C28 C29 1.380(3) .
C29 C30 1.396(2) .
C30 C34 1.524(2) .
C31 C33 1.523(3) .
C31 C32 1.530(3) .
C34 C36 1.526(3) .
C34 C35 1.528(3) .
C37 C38 1.500(3) .
C38 C39 1.508(3) .
C39 C40 1.510(3) .
C41 C42 1.491(4) .
C42 C43B 1.280(10) .
C42 C43A 1.527(6) .
C43A C44 1.427(5) .
C43B C44 1.507(10) .
