#------------------------------------------------------------------------------
#$Date: 2019-11-08 00:09:35 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224194 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/92/7049263.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_7049263
loop_
_publ_author_name
'Hong, Dongjing'
'Zhu, Xiancui'
'Wang, Shaowu'
'Wei, Yun'
'Zhou, Shuangliu'
'Huang, Zeming'
'Zhu, Shan'
'Wang, Ruru'
'Yue, Wenrun'
'Mu, Xiaolong'
_publ_section_title
;
 Synthesis, characterization, and reactivity of dinuclear
 organo-rare-earth-metal alkyl complexes supported by
 2-amidate-functionalized indolyl ligands: substituent effects on
 coordination and reactivity.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5230
_journal_page_last               5242
_journal_paper_doi               10.1039/c9dt00507b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C66 H98 Gd2 N4 O6 Si2'
_chemical_formula_sum            'C66 H98 Gd2 N4 O6 Si2'
_chemical_formula_weight         1414.16
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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     dual
_audit_creation_date             2018-03-26
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2018-03-27 deposited with the CCDC.    2019-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.0820(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.9048(10)
_cell_length_b                   17.2036(15)
_cell_length_c                   17.5111(15)
_cell_measurement_reflns_used    9968
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.77
_cell_measurement_theta_min      2.20
_cell_volume                     3559.0(5)
_computing_cell_refinement       'SAINT v7.34A (Bruker, 200?)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v7.34A (Bruker, 200?)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1049
_diffrn_reflns_av_unetI/netI     0.0562
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            39748
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.585
_diffrn_reflns_theta_min         1.666
_exptl_absorpt_coefficient_mu    1.928
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_description       block
_exptl_crystal_F_000             1452
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.498
_refine_diff_density_min         -0.827
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         8153
_refine_ls_number_restraints     189
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0719
_refine_ls_R_factor_gt           0.0435
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0440P)²+5.2397P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1173
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5887
_reflns_number_total             8153
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00507b2.cif
_cod_data_source_block           1a
_cod_depositor_comments
'Adding full bibliography for 7049263--7049284.cif.'
_cod_database_code               7049263
_shelx_shelxl_version_number     2018/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.711
_shelx_estimated_absorpt_t_min   0.676
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C23-C24 \\sim C24-C25 \\sim C25-C23 \\sim C23'-C24' \\sim C24'-C25' \\sim
C25'-C23'
 with sigma of 0.02
 Si1-C23 \\sim Si1-C24 \\sim Si1-C25 \\sim Si1-C23' \\sim Si1-C24' \\sim
Si1-C25'
 with sigma of 0.02
3. Rigid bond restraints
 O2, C26, C27, C28, C29
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O3, C30, C31, C32, C33
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 Si1, C22, C23, C24, C25, C23', C24', C25'
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Uiso/Uaniso restraints and constraints
O2 \\sim C26 \\sim C27 \\sim C28 \\sim C29: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02
O3 \\sim C30 \\sim C31 \\sim C32 \\sim C33: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02
Si1 \\sim C22 \\sim C23 \\sim C24 \\sim C25 \\sim C23' \\sim C24' \\sim C25':
within 2A with sigma of 0.001 and sigma for terminal atoms of 0.002
5. Others
 Sof(C23')=Sof(H23D)=Sof(H23E)=Sof(H23F)=Sof(C24')=Sof(H24D)=Sof(H24E)=
 Sof(H24F)=Sof(C25')=Sof(H25D)=Sof(H25E)=Sof(H25F)=1-FVAR(1)
 Sof(C23)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=
 Sof(C25)=Sof(H25A)=Sof(H25B)=Sof(H25C)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C16(H16), C19(H19)
6.b Secondary CH2 refined with riding coordinates:
 C22(H22A,H22B), C26(H26A,H26B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,
 H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B), C33(H33A,H33B)
6.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C6(H6), C7(H7), C12(H12), C13(H13), C14(H14)
6.d Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C20(H20A,H20B,H20C), C21(H21A,H21B,
 H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C),
 C23'(H23D,H23E,H23F), C24'(H24D,H24E,H24F), C25'(H25D,H25E,H25F)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1984(4) 0.1240(2) 0.0867(3) 0.0439(10) Uani 1 1 d . . . . .
C2 C 0.2800(4) 0.1777(3) 0.1120(3) 0.0530(11) Uani 1 1 d . . . . .
H2 H 0.283522 0.228981 0.095503 0.064 Uiso 1 1 calc R . . . .
C3 C 0.3569(4) 0.1405(3) 0.1674(3) 0.0501(11) Uani 1 1 d . . . . .
C4 C 0.4555(4) 0.1630(4) 0.2153(3) 0.0607(13) Uani 1 1 d . . . . .
H4 H 0.484855 0.212714 0.211561 0.073 Uiso 1 1 calc R . . . .
C5 C 0.5073(5) 0.1113(4) 0.2669(3) 0.0764(17) Uani 1 1 d . . . . .
H5 H 0.571291 0.126543 0.299395 0.092 Uiso 1 1 calc R . . . .
C6 C 0.4662(6) 0.0363(5) 0.2719(4) 0.092(2) Uani 1 1 d . . . . .
H6 H 0.503766 0.002005 0.307380 0.110 Uiso 1 1 calc R . . . .
C7 C 0.3717(5) 0.0116(4) 0.2259(4) 0.0790(18) Uani 1 1 d . . . . .
H7 H 0.345034 -0.038879 0.229864 0.095 Uiso 1 1 calc R . . . .
C8 C 0.3160(4) 0.0636(3) 0.1726(3) 0.0526(11) Uani 1 1 d . . . . .
C9 C 0.0984(3) 0.1281(2) 0.0286(3) 0.0430(10) Uani 1 1 d . . . . .
C10 C 0.1144(4) 0.2558(3) -0.0209(3) 0.0492(11) Uani 1 1 d . . . . .
C11 C 0.2060(4) 0.2664(3) -0.0611(3) 0.0556(12) Uani 1 1 d . . . . .
C12 C 0.2511(5) 0.3413(3) -0.0654(4) 0.0711(16) Uani 1 1 d . . . . .
H12 H 0.312104 0.349252 -0.092931 0.085 Uiso 1 1 calc R . . . .
C13 C 0.2066(6) 0.4032(3) -0.0295(4) 0.0830(19) Uani 1 1 d . . . . .
H13 H 0.239286 0.452125 -0.031449 0.100 Uiso 1 1 calc R . . . .
C14 C 0.1149(6) 0.3930(3) 0.0087(4) 0.0825(19) Uani 1 1 d . . . . .
H14 H 0.084379 0.435388 0.031883 0.099 Uiso 1 1 calc R . . . .
C15 C 0.0660(5) 0.3194(3) 0.0137(4) 0.0648(14) Uani 1 1 d . . . . .
C16 C 0.2587(4) 0.2015(3) -0.1032(4) 0.0664(15) Uani 1 1 d . . . . .
H16 H 0.216115 0.153963 -0.095799 0.080 Uiso 1 1 calc R . . . .
C17 C 0.3818(5) 0.1865(4) -0.0709(5) 0.094(2) Uani 1 1 d . . . . .
H17A H 0.426060 0.232129 -0.077394 0.141 Uiso 1 1 calc GR . . . .
H17B H 0.410673 0.143720 -0.097731 0.141 Uiso 1 1 calc GR . . . .
H17C H 0.386019 0.174247 -0.017101 0.141 Uiso 1 1 calc GR . . . .
C18 C 0.2499(7) 0.2164(4) -0.1898(4) 0.096(2) Uani 1 1 d . . . . .
H18A H 0.291312 0.262643 -0.199100 0.144 Uiso 1 1 calc GR . . . .
H18B H 0.171893 0.222928 -0.210185 0.144 Uiso 1 1 calc GR . . . .
H18C H 0.281095 0.172998 -0.214473 0.144 Uiso 1 1 calc GR . . . .
C19 C -0.0342(6) 0.3088(4) 0.0563(5) 0.088(2) Uani 1 1 d . . . . .
H19 H -0.074323 0.262409 0.035031 0.105 Uiso 1 1 calc R . . . .
C20 C -0.1194(7) 0.3763(5) 0.0473(6) 0.122(3) Uani 1 1 d . . . . .
H20A H -0.088222 0.420202 0.076444 0.183 Uiso 1 1 calc GR . . . .
H20B H -0.188425 0.360503 0.065905 0.183 Uiso 1 1 calc GR . . . .
H20C H -0.134640 0.390315 -0.006008 0.183 Uiso 1 1 calc GR . . . .
C21 C 0.0004(8) 0.2935(5) 0.1395(6) 0.127(3) Uani 1 1 d . . . . .
H21A H 0.041517 0.245392 0.145360 0.190 Uiso 1 1 calc GR . . . .
H21B H -0.065770 0.289993 0.165616 0.190 Uiso 1 1 calc GR . . . .
H21C H 0.047694 0.335070 0.161208 0.190 Uiso 1 1 calc GR . . . .
C22 C -0.0215(7) -0.0624(5) 0.1864(4) 0.0975(8) Uani 1 1 d . U . . .
H22A H -0.093239 -0.040027 0.164744 0.117 Uiso 1 1 calc R . . . .
H22B H -0.035722 -0.117646 0.190666 0.117 Uiso 1 1 calc R . . . .
C23 C -0.0952(13) -0.0698(9) 0.3540(8) 0.1012(10) Uani 0.490(9) 1 d D U P A 1
H23A H -0.169761 -0.079104 0.327876 0.152 Uiso 0.490(9) 1 calc GR . P A 1
H23B H -0.099629 -0.033568 0.395192 0.152 Uiso 0.490(9) 1 calc GR . P A 1
H23C H -0.063437 -0.117841 0.374481 0.152 Uiso 0.490(9) 1 calc GR . P A 1
C24 C -0.0328(14) 0.0799(6) 0.2815(9) 0.1014(10) Uani 0.490(9) 1 d D U P A 1
H24A H 0.005038 0.103143 0.241816 0.152 Uiso 0.490(9) 1 calc GR . P A 1
H24B H -0.005164 0.102706 0.330220 0.152 Uiso 0.490(9) 1 calc GR . P A 1
H24C H -0.112767 0.088738 0.270641 0.152 Uiso 0.490(9) 1 calc GR . P A 1
C25 C 0.1450(9) -0.0342(10) 0.3362(8) 0.1021(10) Uani 0.490(9) 1 d D U P A 1
H25A H 0.173941 -0.085912 0.332155 0.153 Uiso 0.490(9) 1 calc GR . P A 1
H25B H 0.144477 -0.021223 0.389523 0.153 Uiso 0.490(9) 1 calc GR . P A 1
H25C H 0.192338 0.001884 0.313182 0.153 Uiso 0.490(9) 1 calc GR . P A 1
C23' C -0.1384(10) -0.0354(9) 0.3322(9) 0.1009(10) Uani 0.510(9) 1 d D U P A 2
H23D H -0.197798 -0.007419 0.301942 0.151 Uiso 0.510(9) 1 calc GR . P A 2
H23E H -0.125516 -0.013227 0.382860 0.151 Uiso 0.510(9) 1 calc GR . P A 2
H23F H -0.159926 -0.088940 0.335898 0.151 Uiso 0.510(9) 1 calc GR . P A 2
C24' C 0.0370(14) 0.0731(6) 0.2897(9) 0.1018(10) Uani 0.510(9) 1 d D U P A 2
H24D H 0.117058 0.077446 0.288022 0.153 Uiso 0.510(9) 1 calc GR . P A 2
H24E H 0.018206 0.095293 0.336829 0.153 Uiso 0.510(9) 1 calc GR . P A 2
H24F H -0.002723 0.100501 0.246819 0.153 Uiso 0.510(9) 1 calc GR . P A 2
C25' C 0.1058(11) -0.0889(9) 0.3389(8) 0.1024(10) Uani 0.510(9) 1 d D U P A 2
H25D H 0.074728 -0.138715 0.349255 0.154 Uiso 0.510(9) 1 calc GR . P A 2
H25E H 0.132541 -0.063672 0.386628 0.154 Uiso 0.510(9) 1 calc GR . P A 2
H25F H 0.167677 -0.095654 0.309164 0.154 Uiso 0.510(9) 1 calc GR . P A 2
C26 C 0.3227(6) -0.0202(4) -0.0297(4) 0.0865(17) Uani 1 1 d . U . . .
H26A H 0.298479 0.033084 -0.039263 0.104 Uiso 1 1 calc R . . . .
H26B H 0.379336 -0.021228 0.015159 0.104 Uiso 1 1 calc R . . . .
C27 C 0.3681(8) -0.0512(5) -0.0951(6) 0.126(3) Uani 1 1 d . U . . .
H27A H 0.367909 -0.011453 -0.134340 0.151 Uiso 1 1 calc R . . . .
H27B H 0.445767 -0.067534 -0.080302 0.151 Uiso 1 1 calc R . . . .
C28 C 0.3028(8) -0.1152(6) -0.1246(6) 0.136(3) Uani 1 1 d . U . . .
H28A H 0.348057 -0.162206 -0.120599 0.163 Uiso 1 1 calc R . . . .
H28B H 0.274672 -0.106676 -0.178373 0.163 Uiso 1 1 calc R . . . .
C29 C 0.2080(6) -0.1223(5) -0.0787(5) 0.099(2) Uani 1 1 d . U . . .
H29A H 0.137057 -0.110760 -0.110067 0.118 Uiso 1 1 calc R . . . .
H29B H 0.204257 -0.174750 -0.058837 0.118 Uiso 1 1 calc R . . . .
C30 C 0.3299(6) -0.1792(4) 0.1197(6) 0.112(2) Uani 1 1 d . U . . .
H30A H 0.347137 -0.162732 0.069494 0.134 Uiso 1 1 calc R . . . .
H30B H 0.382008 -0.153798 0.158900 0.134 Uiso 1 1 calc R . . . .
C31 C 0.3382(8) -0.2598(6) 0.1269(7) 0.145(3) Uani 1 1 d . U . . .
H31A H 0.410001 -0.273284 0.156385 0.174 Uiso 1 1 calc R . . . .
H31B H 0.335974 -0.283063 0.076325 0.174 Uiso 1 1 calc R . . . .
C32 C 0.2466(7) -0.2902(5) 0.1650(6) 0.127(2) Uani 1 1 d . U . . .
H32A H 0.274093 -0.307455 0.216644 0.152 Uiso 1 1 calc R . . . .
H32B H 0.210519 -0.333704 0.136413 0.152 Uiso 1 1 calc R . . . .
C33 C 0.1681(6) -0.2262(4) 0.1671(5) 0.098(2) Uani 1 1 d . U . . .
H33A H 0.159203 -0.213160 0.219862 0.118 Uiso 1 1 calc R . . . .
H33B H 0.094576 -0.240136 0.140385 0.118 Uiso 1 1 calc R . . . .
Gd1 Gd 0.09427(2) -0.05388(2) 0.08265(2) 0.04375(9) Uani 1 1 d . . . . .
N1 N 0.2184(3) 0.0528(2) 0.1235(2) 0.0496(9) Uani 1 1 d . . . . .
N2 N 0.0601(3) 0.1822(2) -0.0179(2) 0.0454(9) Uani 1 1 d . . . . .
O1 O 0.0385(2) 0.06207(16) 0.02485(19) 0.0476(7) Uani 1 1 d . . . . .
O2 O 0.2275(3) -0.0684(2) -0.0172(2) 0.0659(9) Uani 1 1 d . U . . .
O3 O 0.2148(3) -0.1606(2) 0.1294(3) 0.0815(12) Uani 1 1 d . U . . .
Si1 Si -0.0038(2) -0.02889(16) 0.28488(12) 0.0995(6) Uani 1 1 d D U . . .
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'
Gd Gd -0.1653 3.9035 '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'
Si Si 0.0817 0.0704 '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
C2 C1 C9 132.1(4) . .
C2 C1 N1 111.7(4) . .
N1 C1 C9 116.1(4) . .
C1 C2 H2 126.6 . .
C1 C2 C3 106.9(4) . .
C3 C2 H2 126.6 . .
C2 C3 C4 135.3(5) . .
C2 C3 C8 105.7(4) . .
C4 C3 C8 119.0(5) . .
C3 C4 H4 120.2 . .
C5 C4 C3 119.5(6) . .
C5 C4 H4 120.2 . .
C4 C5 H5 119.5 . .
C4 C5 C6 121.0(5) . .
C6 C5 H5 119.5 . .
C5 C6 H6 119.2 . .
C7 C6 C5 121.5(6) . .
C7 C6 H6 119.2 . .
C6 C7 H7 120.6 . .
C6 C7 C8 118.8(6) . .
C8 C7 H7 120.6 . .
C7 C8 C3 120.1(5) . .
N1 C8 C3 111.0(4) . .
N1 C8 C7 128.8(5) . .
N2 C9 C1 131.9(4) . .
N2 C9 O1 116.1(4) . .
O1 C9 C1 112.0(4) . .
C11 C10 C15 120.5(4) . .
C11 C10 N2 121.7(4) . .
C15 C10 N2 117.6(4) . .
C10 C11 C12 118.7(5) . .
C10 C11 C16 123.5(4) . .
C12 C11 C16 117.8(5) . .
C11 C12 H12 119.5 . .
C13 C12 C11 121.0(6) . .
C13 C12 H12 119.5 . .
C12 C13 H13 119.9 . .
C14 C13 C12 120.2(5) . .
C14 C13 H13 119.9 . .
C13 C14 H14 119.6 . .
C13 C14 C15 120.8(6) . .
C15 C14 H14 119.6 . .
C10 C15 C19 120.9(5) . .
C14 C15 C10 118.7(5) . .
C14 C15 C19 120.4(5) . .
C11 C16 H16 107.3 . .
C11 C16 C17 112.4(5) . .
C11 C16 C18 112.2(5) . .
C17 C16 H16 107.3 . .
C17 C16 C18 110.0(5) . .
C18 C16 H16 107.3 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17B 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C15 C19 H19 106.9 . .
C15 C19 C20 114.4(6) . .
C20 C19 H19 106.9 . .
C21 C19 C15 111.7(7) . .
C21 C19 H19 106.9 . .
C21 C19 C20 109.5(7) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
H22A C22 H22B 105.4 . .
Gd1 C22 H22A 103.8 . .
Gd1 C22 H22B 103.8 . .
Si1 C22 H22A 103.8 . .
Si1 C22 H22B 103.8 . .
Si1 C22 Gd1 133.5(4) . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
Si1 C23 H23A 109.5 . .
Si1 C23 H23B 109.5 . .
Si1 C23 H23C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
Si1 C24 H24A 109.5 . .
Si1 C24 H24B 109.5 . .
Si1 C24 H24C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
Si1 C25 H25A 109.5 . .
Si1 C25 H25B 109.5 . .
Si1 C25 H25C 109.5 . .
H23D C23' H23E 109.5 . .
H23D C23' H23F 109.5 . .
H23E C23' H23F 109.5 . .
Si1 C23' H23D 109.5 . .
Si1 C23' H23E 109.5 . .
Si1 C23' H23F 109.5 . .
H24D C24' H24E 109.5 . .
H24D C24' H24F 109.5 . .
H24E C24' H24F 109.5 . .
Si1 C24' H24D 109.5 . .
Si1 C24' H24E 109.5 . .
Si1 C24' H24F 109.5 . .
H25D C25' H25E 109.5 . .
H25D C25' H25F 109.5 . .
H25E C25' H25F 109.5 . .
Si1 C25' H25D 109.5 . .
Si1 C25' H25E 109.5 . .
Si1 C25' H25F 109.5 . .
H26A C26 H26B 108.6 . .
C27 C26 H26A 110.4 . .
C27 C26 H26B 110.4 . .
C27 C26 O2 106.8(6) . .
O2 C26 H26A 110.4 . .
O2 C26 H26B 110.4 . .
C26 C27 H27A 109.7 . .
C26 C27 H27B 109.7 . .
H27A C27 H27B 108.2 . .
C28 C27 C26 109.9(7) . .
C28 C27 H27A 109.7 . .
C28 C27 H27B 109.7 . .
C27 C28 H28A 110.3 . .
C27 C28 H28B 110.3 . .
C27 C28 C29 106.9(7) . .
H28A C28 H28B 108.6 . .
C29 C28 H28A 110.3 . .
C29 C28 H28B 110.3 . .
C28 C29 H29A 110.3 . .
C28 C29 H29B 110.3 . .
H29A C29 H29B 108.5 . .
O2 C29 C28 107.3(6) . .
O2 C29 H29A 110.3 . .
O2 C29 H29B 110.3 . .
H30A C30 H30B 108.8 . .
C31 C30 H30A 110.6 . .
C31 C30 H30B 110.6 . .
C31 C30 O3 105.6(6) . .
O3 C30 H30A 110.6 . .
O3 C30 H30B 110.6 . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
C30 C31 C32 110.7(7) . .
H31A C31 H31B 108.1 . .
C32 C31 H31A 109.5 . .
C32 C31 H31B 109.5 . .
C31 C32 H32A 110.7 . .
C31 C32 H32B 110.7 . .
C31 C32 C33 105.2(7) . .
H32A C32 H32B 108.8 . .
C33 C32 H32A 110.7 . .
C33 C32 H32B 110.7 . .
C32 C33 H33A 110.3 . .
C32 C33 H33B 110.3 . .
C32 C33 O3 107.2(5) . .
H33A C33 H33B 108.5 . .
O3 C33 H33A 110.3 . .
O3 C33 H33B 110.3 . .
C22 Gd1 Gd1 104.9(2) . 3
C22 Gd1 O2 169.8(2) . .
N1 Gd1 C22 102.1(2) . .
N1 Gd1 Gd1 97.69(9) . 3
N1 Gd1 O2 82.29(13) . .
N1 Gd1 O3 99.32(15) . .
O1 Gd1 C22 102.3(2) 3 .
O1 Gd1 C22 102.9(2) . .
O1 Gd1 Gd1 31.93(7) 3 3
O1 Gd1 Gd1 32.09(7) . 3
O1 Gd1 N1 66.59(12) . .
O1 Gd1 N1 128.45(11) 3 .
O1 Gd1 O1 64.03(12) . 3
O1 Gd1 O2 81.61(12) 3 .
O1 Gd1 O2 87.32(12) . .
O1 Gd1 O3 123.32(14) 3 .
O1 Gd1 O3 159.81(12) . .
O2 Gd1 Gd1 83.47(9) . 3
O3 Gd1 C22 94.0(2) . .
O3 Gd1 Gd1 151.26(12) . 3
O3 Gd1 O2 76.10(13) . .
C1 N1 Gd1 118.0(3) . .
C8 N1 C1 104.8(4) . .
C8 N1 Gd1 137.0(3) . .
C9 N2 C10 122.8(4) . .
C9 O1 Gd1 113.5(3) . 3
C9 O1 Gd1 126.3(3) . .
Gd1 O1 Gd1 115.97(12) . 3
C26 O2 Gd1 128.6(4) . .
C29 O2 C26 108.6(5) . .
C29 O2 Gd1 122.4(3) . .
C30 O3 C33 107.7(4) . .
C30 O3 Gd1 131.8(4) . .
C33 O3 Gd1 120.1(3) . .
C22 Si1 C23 119.4(6) . .
C22 Si1 C24 106.5(6) . .
C22 Si1 C25 115.6(5) . .
C22 Si1 C23' 113.2(5) . .
C22 Si1 C24' 110.5(6) . .
C22 Si1 C25' 107.8(5) . .
C23 Si1 C24 105.9(6) . .
C23 Si1 C25 105.2(6) . .
C25 Si1 C24 102.6(6) . .
C24' Si1 C23' 105.8(6) . .
C24' Si1 C25' 110.5(6) . .
C25' Si1 C23' 109.1(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.373(6) .
C1 C9 1.470(6) .
C1 N1 1.390(5) .
C2 H2 0.9300 .
C2 C3 1.405(7) .
C3 C4 1.409(6) .
C3 C8 1.417(7) .
C4 H4 0.9300 .
C4 C5 1.361(8) .
C5 H5 0.9300 .
C5 C6 1.386(9) .
C6 H6 0.9300 .
C6 C7 1.369(8) .
C7 H7 0.9300 .
C7 C8 1.399(7) .
C8 N1 1.370(6) .
C9 N2 1.283(6) .
C9 O1 1.338(5) .
C10 C11 1.381(7) .
C10 C15 1.408(7) .
C10 N2 1.426(5) .
C11 C12 1.401(7) .
C11 C16 1.516(8) .
C12 H12 0.9300 .
C12 C13 1.375(9) .
C13 H13 0.9300 .
C13 C14 1.361(9) .
C14 H14 0.9300 .
C14 C15 1.400(7) .
C15 C19 1.494(9) .
C16 H16 0.9800 .
C16 C17 1.526(8) .
C16 C18 1.528(9) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19 0.9800 .
C19 C20 1.537(9) .
C19 C21 1.487(11) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C22 Gd1 2.416(7) .
C22 Si1 1.807(7) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C23 Si1 1.862(10) .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C24 Si1 1.903(11) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C25 Si1 1.888(11) .
C23' H23D 0.9600 .
C23' H23E 0.9600 .
C23' H23F 0.9600 .
C23' Si1 1.895(10) .
C24' H24D 0.9600 .
C24' H24E 0.9600 .
C24' H24F 0.9600 .
C24' Si1 1.821(10) .
C25' H25D 0.9600 .
C25' H25E 0.9600 .
C25' H25F 0.9600 .
C25' Si1 1.833(11) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C26 C27 1.429(10) .
C26 O2 1.442(7) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C27 C28 1.409(11) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C28 C29 1.469(10) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C29 O2 1.418(8) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C30 C31 1.394(11) .
C30 O3 1.438(7) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C31 C32 1.445(11) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C32 C33 1.448(9) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C33 O3 1.452(7) .
Gd1 Gd1 3.9052(5) 3
Gd1 N1 2.410(4) .
Gd1 O1 2.308(3) 3
Gd1 O1 2.298(3) .
Gd1 O2 2.513(4) .
Gd1 O3 2.411(4) .
