#------------------------------------------------------------------------------
#$Date: 2021-10-06 17:44:22 +0200 (Wed 06 de Oct de 2021) $
#$Revision: 269736 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/79/7707994.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_7707994
loop_
_publ_author_name
'Bovkunova, Anna A.'
'Bazhina, Evgeniya S.'
'Evstifeev, Igor S.'
'Nelyubina, Yulia V.'
'Shmelev, Maxim A.'
'Babeshkin, Konstantin A.'
'Efimov, Nikolay N.'
'Kiskin, Mikhail A.'
'Eremenko, Igor L.'
_publ_section_title
;
 Two types of Ln₂Cu₂ hydroxo-trimethylacetate
 complexes with 0D and 1D motifs: synthetic features, structural
 differences, and slow magnetic relaxation.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12275
_journal_page_last               12286
_journal_paper_doi               10.1039/d1dt01161h
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety
'C27 H52 Cu Gd Na O12, C1.568 H4.687 O0.65, C0.432 H1.313 O0.35'
_chemical_formula_sum            'C29 H58 Cu Gd Na O13'
_chemical_formula_weight         858.53
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2021-07-13
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2021-07-16 deposited with the CCDC.	2021-08-10 downloaded from the CCDC.
;
_cell_angle_alpha                111.27(3)
_cell_angle_beta                 92.77(3)
_cell_angle_gamma                109.53(3)
_cell_formula_units_Z            2
_cell_length_a                   11.636(12)
_cell_length_b                   13.320(13)
_cell_length_c                   14.564(13)
_cell_measurement_reflns_used    389
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      20.50
_cell_measurement_theta_min      2.86
_cell_volume                     1945(3)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_unetI/netI     0.0680
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14773
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         2.046
_exptl_absorpt_coefficient_mu    2.302
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5300
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1152 before and 0.0350 after correction.
The Ratio of minimum to maximum transmission is 0.7882.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_description       block
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.045
_refine_diff_density_min         -1.646
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     459
_refine_ls_number_reflns         7531
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0234P)²+1.6614P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0855
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6700
_reflns_number_total             7531
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01161h2.cif
_cod_data_source_block           01_a
_cod_depositor_comments
'Adding full bibliography for 7707992--7707995.cif.'
_cod_database_code               7707994
_shelx_shelxl_version_number     2018/3
_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   0.802
_shelx_estimated_absorpt_t_min   0.656
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O13B-C28B
 1.4 with sigma of 0.02
 C28A-C29A \\sim C28B-C29B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
: with sigma of 0.05 and sigma for terminal atoms of 0.1
Uanis(C15A) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C16A) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C29A) = Uanis(C29B)
Uanis(C28A) = Uanis(C28B)
4. Others
 Sof(O13B)=Sof(H13B)=1-FVAR(1)
 Sof(O13A)=Sof(H13A)=FVAR(1)
 Sof(C28A)=Sof(H28A)=Sof(H28B)=1-FVAR(2)
 Sof(C28B)=Sof(H28C)=Sof(H28D)=FVAR(2)
 Sof(C29A)=Sof(H29A)=Sof(H29B)=Sof(H29C)=1-FVAR(3)
 Sof(C29B)=Sof(H29D)=Sof(H29E)=Sof(H29F)=FVAR(3)
 Sof(C17B)=Sof(H17A)=Sof(H17B)=Sof(H17C)=Sof(C15B)=Sof(H15A)=Sof(H15B)=
 Sof(H15C)=Sof(C16B)=Sof(H16D)=Sof(H16E)=Sof(H16F)=1-FVAR(4)
 Sof(C16A)=Sof(H16A)=Sof(H16B)=Sof(H16C)=Sof(C15A)=Sof(H15D)=Sof(H15E)=
 Sof(H15F)=Sof(C17A)=Sof(H17D)=Sof(H17E)=Sof(H17F)=FVAR(4)
5.a Riding coordinates:
 O10(H10), O3(H3), O13A(H13A), O13B(H13B)
5.b Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C28A(H28A,H28B), C28B(H28C,H28D)
5.c Me refined with riding coordinates:
 C29B(H29D,H29E,H29F)
5.d Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C10(H10A,H10B,H10C), C12(H12A,H12B,
 H12C), C21(H21A,H21B,H21C), C3(H3A,H3B,H3C), C11(H11A,H11B,H11C), C7(H7A,H7B,
 H7C), C25(H25A,H25B,H25C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C4(H4A,
 H4B,H4C), C5(H5A,H5B,H5C), C29A(H29A,H29B,H29C), C17B(H17A,H17B,H17C),
 C16A(H16A,H16B,H16C), C15B(H15A,H15B,H15C), C15A(H15D,H15E,H15F), C16B(H16D,
 H16E,H16F), C17A(H17D,H17E,H17F)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Gd1 Gd 0.50090(2) 0.84531(2) 0.77750(2) 0.01370(7) Uani 1 1 d . . . . .
Cu1 Cu 0.46606(4) 0.89310(4) 1.02548(3) 0.01534(11) Uani 1 1 d . . . . .
Na1 Na 0.40651(15) 0.37914(14) 0.40266(13) 0.0290(4) Uani 1 1 d . . . . .
O5 O 0.4368(2) 0.7212(2) 0.6115(2) 0.0197(6) Uani 1 1 d . . . . .
O6 O 0.6859(3) 0.9320(2) 0.7150(2) 0.0300(7) Uani 1 1 d . . . . .
O10 O 0.4259(3) 0.9398(2) 0.91844(19) 0.0161(6) Uani 1 1 d . . . . .
H10 H 0.357230 0.930781 0.915878 0.016(12) Uiso 1 1 d R . . . .
O1 O 0.3869(2) 0.1723(2) 0.0843(2) 0.0187(6) Uani 1 1 d . . . . .
O8 O 0.3438(2) 0.6958(2) 0.8000(2) 0.0192(6) Uani 1 1 d . . . . .
O11 O 0.5300(2) 0.8592(2) 1.1322(2) 0.0189(6) Uani 1 1 d . . . . .
O7 O 0.6721(3) 1.0337(2) 0.8680(2) 0.0226(7) Uani 1 1 d . . . . .
O9 O 0.3408(2) 0.7357(2) 0.9635(2) 0.0185(6) Uani 1 1 d . . . . .
O12 O 0.5661(3) 1.0273(2) 1.2646(2) 0.0205(6) Uani 1 1 d . . . . .
O4 O 0.4011(3) 0.5539(3) 0.4864(2) 0.0360(9) Uani 1 1 d . . . . .
C24 C 0.6127(4) 0.8780(3) 1.2941(3) 0.0207(9) Uani 1 1 d . . . . .
C23 C 0.5648(4) 0.9250(3) 1.2247(3) 0.0171(8) Uani 1 1 d . . . . .
O2 O 0.3944(3) 0.2930(3) 0.2370(2) 0.0254(7) Uani 1 1 d . . . . .
O3 O 0.2419(3) 0.2343(3) 0.4110(3) 0.0448(9) Uani 1 1 d . . . . .
H3 H 0.242713 0.157067 0.373294 0.08(2) Uiso 1 1 d R . . . .
C26 C 0.5772(5) 0.9248(4) 1.3972(3) 0.0336(11) Uani 1 1 d . . . . .
H26A H 0.618045 1.009816 1.428327 0.050 Uiso 1 1 calc R U . . .
H26B H 0.604136 0.891830 1.440441 0.050 Uiso 1 1 calc R U . . .
H26C H 0.486901 0.902611 1.388634 0.050 Uiso 1 1 calc R U . . .
C8 C 0.3676(4) 0.6342(3) 0.5339(3) 0.0213(9) Uani 1 1 d . . . . .
C27 C 0.5601(5) 0.7447(4) 1.2488(4) 0.0350(12) Uani 1 1 d . . . . .
H27A H 0.469134 0.715555 1.236733 0.053 Uiso 1 1 calc R U . . .
H27B H 0.590045 0.717279 1.295527 0.053 Uiso 1 1 calc R U . . .
H27C H 0.587565 0.716022 1.185151 0.053 Uiso 1 1 calc R U . . .
C13 C 0.7234(4) 1.0268(4) 0.7935(4) 0.0244(10) Uani 1 1 d . . . . .
C10 C 0.2608(5) 0.6874(5) 0.4199(4) 0.0365(12) Uani 1 1 d . . . . .
H10A H 0.318369 0.768733 0.453707 0.055 Uiso 1 1 calc R U . . .
H10B H 0.181132 0.684263 0.391122 0.055 Uiso 1 1 calc R U . . .
H10C H 0.295873 0.645116 0.366186 0.055 Uiso 1 1 calc R U . . .
C9 C 0.2405(4) 0.6314(3) 0.4959(3) 0.0176(9) Uani 1 1 d . . . . .
C14 C 0.8279(4) 1.1344(4) 0.7958(4) 0.0369(12) Uani 1 1 d . . . . .
C12 C 0.1918(4) 0.7005(4) 0.5826(3) 0.0264(10) Uani 1 1 d . . . . .
H12A H 0.187436 0.669465 0.634424 0.040 Uiso 1 1 calc R U . . .
H12B H 0.108746 0.693900 0.557595 0.040 Uiso 1 1 calc R U . . .
H12C H 0.248058 0.782524 0.611249 0.040 Uiso 1 1 calc R U . . .
C2 C 0.3301(4) 0.3361(4) 0.0992(3) 0.0236(10) Uani 1 1 d . . . . .
C21 C 0.0728(4) 0.5774(5) 0.8239(5) 0.0475(15) Uani 1 1 d . . . . .
H21A H 0.065365 0.635008 0.885876 0.071 Uiso 1 1 calc R U . . .
H21B H 0.000498 0.504379 0.803200 0.071 Uiso 1 1 calc R U . . .
H21C H 0.076812 0.606601 0.770887 0.071 Uiso 1 1 calc R U . . .
C18 C 0.3021(4) 0.6714(3) 0.8704(3) 0.0188(9) Uani 1 1 d . . . . .
C19 C 0.1922(4) 0.5555(4) 0.8426(3) 0.0245(10) Uani 1 1 d . . . . .
C3 C 0.4485(4) 0.4141(4) 0.0786(4) 0.0381(12) Uani 1 1 d . . . . .
H3A H 0.427800 0.464559 0.051369 0.057 Uiso 1 1 calc R U . . .
H3B H 0.483344 0.365117 0.029875 0.057 Uiso 1 1 calc R U . . .
H3C H 0.509782 0.462003 0.141323 0.057 Uiso 1 1 calc R U . . .
C11 C 0.1481(4) 0.5048(4) 0.4441(3) 0.0297(11) Uani 1 1 d . . . . .
H11A H 0.180683 0.461432 0.388990 0.045 Uiso 1 1 calc R U . . .
H11B H 0.068268 0.503142 0.417273 0.045 Uiso 1 1 calc R U . . .
H11C H 0.136322 0.469072 0.492790 0.045 Uiso 1 1 calc R U . . .
C7 C 0.0738(6) 0.1724(6) 0.4921(5) 0.0632(18) Uani 1 1 d . . . . .
H7A H 0.044777 0.090065 0.446525 0.095 Uiso 1 1 calc R U . . .
H7B H 0.029082 0.210789 0.467066 0.095 Uiso 1 1 calc R U . . .
H7C H 0.058285 0.178978 0.559213 0.095 Uiso 1 1 calc R U . . .
C25 C 0.7536(4) 0.9232(4) 1.3054(4) 0.0360(12) Uani 1 1 d . . . . .
H25A H 0.775765 0.891692 1.239837 0.054 Uiso 1 1 calc R U . . .
H25B H 0.788808 0.898537 1.352052 0.054 Uiso 1 1 calc R U . . .
H25C H 0.786978 1.008336 1.331740 0.054 Uiso 1 1 calc R U . . .
C20 C 0.1884(5) 0.5135(4) 0.9272(4) 0.0479(15) Uani 1 1 d . . . . .
H20A H 0.180363 0.572049 0.988301 0.072 Uiso 1 1 calc R U . . .
H20B H 0.265190 0.501486 0.939900 0.072 Uiso 1 1 calc R U . . .
H20C H 0.117042 0.440058 0.907953 0.072 Uiso 1 1 calc R U . . .
C6 C 0.2074(6) 0.2284(6) 0.4975(5) 0.0661(19) Uani 1 1 d . . . . .
H6A H 0.237038 0.308487 0.550132 0.079 Uiso 1 1 calc R U . . .
H6B H 0.250427 0.185658 0.519196 0.079 Uiso 1 1 calc R U . . .
C22 C 0.1996(5) 0.4626(4) 0.7456(4) 0.0533(16) Uani 1 1 d . . . . .
H22A H 0.124779 0.391753 0.725502 0.080 Uiso 1 1 calc R U . . .
H22B H 0.273095 0.445133 0.757017 0.080 Uiso 1 1 calc R U . . .
H22C H 0.205703 0.491556 0.692311 0.080 Uiso 1 1 calc R U . . .
C4 C 0.2763(6) 0.4135(5) 0.1744(4) 0.0496(15) Uani 1 1 d . . . . .
H4A H 0.339764 0.466027 0.235189 0.074 Uiso 1 1 calc R U . . .
H4B H 0.204534 0.364776 0.191858 0.074 Uiso 1 1 calc R U . . .
H4C H 0.250035 0.459306 0.144508 0.074 Uiso 1 1 calc R U . . .
C1 C 0.3708(4) 0.2623(3) 0.1427(3) 0.0181(9) Uani 1 1 d . . . . .
C5 C 0.2405(5) 0.2583(5) 0.0002(4) 0.0482(15) Uani 1 1 d . . . . .
H5A H 0.222492 0.306379 -0.031492 0.072 Uiso 1 1 calc R U . . .
H5B H 0.163175 0.210110 0.011974 0.072 Uiso 1 1 calc R U . . .
H5C H 0.277785 0.208093 -0.044169 0.072 Uiso 1 1 calc R U . . .
O13A O 0.2034(6) 0.9648(10) 0.9212(6) 0.056(4) Uani 0.65(2) 1 d . . P A 2
H13A H 0.256989 1.041814 0.972077 0.084 Uiso 0.65(2) 1 d R U P A 2
C29A C 0.0324(7) 0.8459(6) 0.7914(6) 0.066(2) Uani 0.901(10) 1 d D . P A 2
H29A H 0.089773 0.854278 0.745089 0.099 Uiso 0.901(10) 1 calc R U P A 2
H29B H -0.046704 0.845512 0.764694 0.099 Uiso 0.901(10) 1 calc R U P A 2
H29C H 0.018142 0.772575 0.798677 0.099 Uiso 0.901(10) 1 calc R U P A 2
C28A C 0.0862(18) 0.9431(19) 0.8892(18) 0.080(5) Uani 0.67(5) 1 d D . P A 2
H28A H 0.080107 1.013662 0.884982 0.096 Uiso 0.67(5) 1 calc R U P A 2
H28B H 0.036995 0.925722 0.939005 0.096 Uiso 0.67(5) 1 calc R U P A 2
O13B O 0.1869(9) 0.8890(18) 0.9325(9) 0.046(5) Uani 0.35(2) 1 d D . P A 1
H13B H 0.217610 0.935601 1.004988 0.069 Uiso 0.35(2) 1 d R U P A 1
C28B C 0.085(4) 0.906(4) 0.893(4) 0.080(5) Uani 0.33(5) 1 d D . P A 1
H28C H 0.134080 0.946553 0.854317 0.096 Uiso 0.33(5) 1 calc R U P A 1
H28D H 0.091195 0.971452 0.956629 0.096 Uiso 0.33(5) 1 calc R U P A 1
C29B C -0.033(4) 0.900(6) 0.847(6) 0.066(2) Uani 0.099(10) 1 d D . P A 1
H29D H -0.025987 0.976885 0.851797 0.099 Uiso 0.099(10) 1 calc R U P A 1
H29E H -0.054520 0.845680 0.775908 0.099 Uiso 0.099(10) 1 calc R U P A 1
H29F H -0.098791 0.871384 0.881526 0.099 Uiso 0.099(10) 1 calc R U P A 1
C17B C 0.768(3) 1.221(3) 0.7961(18) 0.020(6) Uiso 0.38(2) 1 d . . P B 2
H17A H 0.714364 1.191591 0.730657 0.030 Uiso 0.38(2) 1 calc R U P B 2
H17B H 0.833085 1.296300 0.809030 0.030 Uiso 0.38(2) 1 calc R U P B 2
H17C H 0.718250 1.229726 0.848742 0.030 Uiso 0.38(2) 1 calc R U P B 2
C16A C 0.9308(13) 1.1776(12) 0.8755(15) 0.073(4) Uani 0.62(2) 1 d . U P B 2
H16A H 0.901060 1.186506 0.938670 0.110 Uiso 0.62(2) 1 calc R U P B 2
H16B H 0.988859 1.253317 0.880932 0.110 Uiso 0.62(2) 1 calc R U P B 2
H16C H 0.973169 1.122818 0.861530 0.110 Uiso 0.62(2) 1 calc R U P B 2
C15B C 0.856(2) 1.1077(16) 0.6776(15) 0.055(5) Uiso 0.38(2) 1 d . . P B 2
H15A H 0.882871 1.041678 0.654946 0.082 Uiso 0.38(2) 1 calc R U P B 2
H15B H 0.921894 1.176735 0.677493 0.082 Uiso 0.38(2) 1 calc R U P B 2
H15C H 0.780265 1.089393 0.632195 0.082 Uiso 0.38(2) 1 calc R U P B 2
C15A C 0.9047(11) 1.1058(8) 0.7217(10) 0.048(4) Uani 0.62(2) 1 d . U P B 1
H15D H 0.939451 1.052615 0.732831 0.073 Uiso 0.62(2) 1 calc R U P B 1
H15E H 0.972513 1.177216 0.728346 0.073 Uiso 0.62(2) 1 calc R U P B 1
H15F H 0.853740 1.068381 0.654011 0.073 Uiso 0.62(2) 1 calc R U P B 1
C16B C 0.9097(13) 1.1962(13) 0.9183(11) 0.023(3) Uiso 0.38(2) 1 d . . P B 1
H16D H 0.854790 1.215284 0.965066 0.035 Uiso 0.38(2) 1 calc R U P B 1
H16E H 0.980354 1.267326 0.928650 0.035 Uiso 0.38(2) 1 calc R U P B 1
H16F H 0.940013 1.140921 0.930464 0.035 Uiso 0.38(2) 1 calc R U P B 1
C17A C 0.778(3) 1.224(2) 0.801(2) 0.061(8) Uani 0.62(2) 1 d . . P B 1
H17D H 0.707228 1.191557 0.745595 0.091 Uiso 0.62(2) 1 calc R U P B 1
H17E H 0.843302 1.290043 0.794760 0.091 Uiso 0.62(2) 1 calc R U P B 1
H17F H 0.751903 1.251676 0.865033 0.091 Uiso 0.62(2) 1 calc R U P B 1
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'
Cu Cu 0.3201 1.2651 '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'
Na Na 0.0362 0.0249 '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'
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
O5 Gd1 O6 81.35(12) . . ?
O5 Gd1 O10 141.84(10) . . ?
O5 Gd1 O1 129.06(11) . 2_666 ?
O5 Gd1 O8 83.54(12) . . ?
O5 Gd1 O7 132.96(11) . . ?
O5 Gd1 O12 87.24(11) . 2_677 ?
O5 Gd1 O2 77.25(11) . 2_666 ?
O6 Gd1 O1 96.58(12) . 2_666 ?
O6 Gd1 O2 79.66(12) . 2_666 ?
O10 Gd1 O6 127.60(11) . . ?
O10 Gd1 O1 77.23(11) . 2_666 ?
O10 Gd1 O7 75.97(12) . . ?
O10 Gd1 O2 126.90(10) . 2_666 ?
O1 Gd1 O2 52.68(10) 2_666 2_666 ?
O8 Gd1 O6 156.30(10) . . ?
O8 Gd1 O10 74.54(11) . . ?
O8 Gd1 O1 79.01(11) . 2_666 ?
O8 Gd1 O7 143.21(11) . . ?
O8 Gd1 O2 79.26(13) . 2_666 ?
O7 Gd1 O6 52.99(11) . . ?
O7 Gd1 O1 73.40(11) . 2_666 ?
O7 Gd1 O2 101.88(13) . 2_666 ?
O12 Gd1 O6 82.37(12) 2_677 . ?
O12 Gd1 O10 74.82(11) 2_677 . ?
O12 Gd1 O1 143.31(9) 2_677 2_666 ?
O12 Gd1 O8 115.08(12) 2_677 . ?
O12 Gd1 O7 77.12(12) 2_677 . ?
O12 Gd1 O2 157.77(11) 2_677 2_666 ?
O10 Cu1 Gd1 95.05(11) . 2_677 ?
O10 Cu1 Gd1 40.17(9) 2_677 2_677 ?
O10 Cu1 O10 78.16(13) . 2_677 ?
O11 Cu1 Gd1 83.77(11) . 2_677 ?
O11 Cu1 O10 96.09(13) . 2_677 ?
O11 Cu1 O10 172.01(12) . . ?
O9 Cu1 Gd1 136.50(10) . 2_677 ?
O9 Cu1 O10 171.34(11) . 2_677 ?
O9 Cu1 O10 95.25(13) . . ?
O9 Cu1 O11 90.99(13) . . ?
O5 Na1 Gd1 37.59(7) 2_666 2_666 ?
O4 Na1 Gd1 158.33(13) . 2_666 ?
O4 Na1 Gd1 88.54(10) 2_666 2_666 ?
O4 Na1 O5 52.39(11) 2_666 2_666 ?
O4 Na1 O5 138.16(12) . 2_666 ?
O4 Na1 O4 86.80(13) . 2_666 ?
O4 Na1 O2 126.66(15) . . ?
O4 Na1 O3 112.22(16) . . ?
O2 Na1 Gd1 40.74(8) . 2_666 ?
O2 Na1 O5 76.28(11) . 2_666 ?
O2 Na1 O4 119.28(14) . 2_666 ?
O2 Na1 O3 95.62(15) . . ?
O3 Na1 Gd1 88.56(12) . 2_666 ?
O3 Na1 O5 97.24(15) . 2_666 ?
O3 Na1 O4 118.42(17) . 2_666 ?
Gd1 O5 Na1 99.12(11) . 2_666 ?
C8 O5 Gd1 157.8(3) . . ?
C8 O5 Na1 88.0(2) . 2_666 ?
C13 O6 Gd1 92.2(3) . . ?
Gd1 O10 H10 121.9 . . ?
Cu1 O10 Gd1 107.58(13) . . ?
Cu1 O10 Gd1 107.16(13) 2_677 . ?
Cu1 O10 Cu1 101.84(13) . 2_677 ?
Cu1 O10 H10 111.6 2_677 . ?
Cu1 O10 H10 104.8 . . ?
C1 O1 Gd1 93.5(2) . 2_666 ?
C18 O8 Gd1 139.1(2) . . ?
C23 O11 Cu1 127.2(3) . . ?
C13 O7 Gd1 93.5(2) . . ?
C18 O9 Cu1 127.8(3) . . ?
C23 O12 Gd1 139.7(3) . 2_677 ?
Na1 O4 Na1 93.20(13) . 2_666 ?
C8 O4 Na1 97.4(2) . 2_666 ?
C8 O4 Na1 163.6(3) . . ?
C23 C24 C26 109.4(3) . . ?
C27 C24 C23 111.3(3) . . ?
C27 C24 C26 110.2(4) . . ?
C25 C24 C23 106.6(4) . . ?
C25 C24 C26 109.8(4) . . ?
C25 C24 C27 109.5(4) . . ?
O11 C23 O12 125.5(4) . . ?
O11 C23 C24 117.2(3) . . ?
O12 C23 C24 117.3(3) . . ?
Na1 O2 Gd1 103.23(12) . 2_666 ?
C1 O2 Gd1 93.1(2) . 2_666 ?
C1 O2 Na1 163.7(3) . . ?
Na1 O3 H3 112.7 . . ?
C6 O3 Na1 125.0(4) . . ?
C6 O3 H3 103.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O5 C8 Na1 65.4(2) . 2_666 ?
O5 C8 C9 118.4(4) . . ?
O4 C8 Na1 56.8(2) . 2_666 ?
O4 C8 O5 122.1(4) . . ?
O4 C8 C9 119.5(3) . . ?
C9 C8 Na1 175.7(3) . 2_666 ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O6 C13 C14 120.2(4) . . ?
O7 C13 O6 120.4(4) . . ?
O7 C13 C14 119.4(4) . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
C10 C9 C8 106.5(3) . . ?
C10 C9 C11 109.8(4) . . ?
C12 C9 C8 110.7(3) . . ?
C12 C9 C10 109.8(4) . . ?
C12 C9 C11 110.3(4) . . ?
C11 C9 C8 109.7(3) . . ?
C13 C14 C17B 106.2(15) . . ?
C13 C14 C15B 108.4(7) . . ?
C13 C14 C16B 102.3(6) . . ?
C17B C14 C15B 94.3(13) . . ?
C16A C14 C13 112.5(7) . . ?
C16A C14 C17B 115.5(13) . . ?
C16A C14 C15B 118.0(15) . . ?
C15A C14 C13 112.7(5) . . ?
C15A C14 C16B 112.6(9) . . ?
C15A C14 C17A 118.6(13) . . ?
C17A C14 C13 109.6(12) . . ?
C17A C14 C16B 99.1(12) . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C4 C2 C3 108.9(4) . . ?
C1 C2 C3 106.1(4) . . ?
C1 C2 C4 111.0(4) . . ?
C5 C2 C3 108.2(4) . . ?
C5 C2 C4 112.7(4) . . ?
C5 C2 C1 109.7(4) . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
O8 C18 O9 125.7(4) . . ?
O8 C18 C19 117.8(3) . . ?
O9 C18 C19 116.5(4) . . ?
C18 C19 C21 107.0(4) . . ?
C20 C19 C21 109.7(5) . . ?
C20 C19 C18 111.1(4) . . ?
C20 C19 C22 109.9(4) . . ?
C22 C19 C21 108.4(4) . . ?
C22 C19 C18 110.6(4) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
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 . . ?
O3 C6 C7 116.0(5) . . ?
O3 C6 H6A 108.3 . . ?
O3 C6 H6B 108.3 . . ?
C7 C6 H6A 108.3 . . ?
C7 C6 H6B 108.3 . . ?
H6A C6 H6B 107.4 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O1 C1 Gd1 60.0(2) . 2_666 ?
O1 C1 C2 119.8(4) . . ?
O2 C1 Gd1 60.5(2) . 2_666 ?
O2 C1 O1 119.6(4) . . ?
O2 C1 C2 120.5(4) . . ?
C2 C1 Gd1 167.6(3) . 2_666 ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C28A O13A H13A 120.1 . . ?
H29A C29A H29B 109.5 . . ?
H29A C29A H29C 109.5 . . ?
H29B C29A H29C 109.5 . . ?
C28A C29A H29A 109.5 . . ?
C28A C29A H29B 109.5 . . ?
C28A C29A H29C 109.5 . . ?
O13A C28A C29A 113.4(17) . . ?
O13A C28A H28A 108.9 . . ?
O13A C28A H28B 108.9 . . ?
C29A C28A H28A 108.9 . . ?
C29A C28A H28B 108.9 . . ?
H28A C28A H28B 107.7 . . ?
C28B O13B H13B 113.6 . . ?
O13B C28B H28C 93.5 . . ?
O13B C28B H28D 93.5 . . ?
O13B C28B C29B 169(5) . . ?
H28C C28B H28D 103.1 . . ?
C29B C28B H28C 93.5 . . ?
C29B C28B H28D 93.5 . . ?
C28B C29B H29D 109.5 . . ?
C28B C29B H29E 109.5 . . ?
C28B C29B H29F 109.5 . . ?
H29D C29B H29E 109.5 . . ?
H29D C29B H29F 109.5 . . ?
H29E C29B H29F 109.5 . . ?
C14 C17B H17A 109.5 . . ?
C14 C17B H17B 109.5 . . ?
C14 C17B H17C 109.5 . . ?
H17A C17B H17B 109.5 . . ?
H17A C17B H17C 109.5 . . ?
H17B C17B H17C 109.5 . . ?
C14 C16A H16A 109.5 . . ?
C14 C16A H16B 109.5 . . ?
C14 C16A H16C 109.5 . . ?
H16A C16A H16B 109.5 . . ?
H16A C16A H16C 109.5 . . ?
H16B C16A H16C 109.5 . . ?
C14 C15B H15A 109.5 . . ?
C14 C15B H15B 109.5 . . ?
C14 C15B H15C 109.5 . . ?
H15A C15B H15B 109.5 . . ?
H15A C15B H15C 109.5 . . ?
H15B C15B H15C 109.5 . . ?
C14 C15A H15D 109.5 . . ?
C14 C15A H15E 109.5 . . ?
C14 C15A H15F 109.5 . . ?
H15D C15A H15E 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
C14 C16B H16D 109.5 . . ?
C14 C16B H16E 109.5 . . ?
C14 C16B H16F 109.5 . . ?
H16D C16B H16E 109.5 . . ?
H16D C16B H16F 109.5 . . ?
H16E C16B H16F 109.5 . . ?
C14 C17A H17D 109.5 . . ?
C14 C17A H17E 109.5 . . ?
C14 C17A H17F 109.5 . . ?
H17D C17A H17E 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
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
Gd1 O5 2.288(3) . ?
Gd1 O6 2.467(4) . ?
Gd1 O10 2.364(3) . ?
Gd1 O1 2.471(3) 2_666 ?
Gd1 O8 2.348(3) . ?
Gd1 O7 2.451(3) . ?
Gd1 O12 2.336(3) 2_677 ?
Gd1 O2 2.483(3) 2_666 ?
Cu1 O10 1.965(3) . ?
Cu1 O10 1.978(3) 2_677 ?
Cu1 O11 1.948(3) . ?
Cu1 O9 1.947(3) . ?
Na1 O5 2.572(4) 2_666 ?
Na1 O4 2.385(4) 2_666 ?
Na1 O4 2.226(4) . ?
Na1 O2 2.238(4) . ?
Na1 O3 2.265(5) . ?
O5 C8 1.267(5) . ?
O6 C13 1.276(5) . ?
O10 H10 0.7644 . ?
O1 C1 1.274(5) . ?
O8 C18 1.255(5) . ?
O11 C23 1.265(5) . ?
O7 C13 1.253(5) . ?
O9 C18 1.271(5) . ?
O12 C23 1.266(5) . ?
O4 C8 1.242(5) . ?
C24 C23 1.538(5) . ?
C24 C26 1.539(6) . ?
C24 C27 1.531(6) . ?
C24 C25 1.523(6) . ?
O2 C1 1.268(5) . ?
O3 H3 0.9783 . ?
O3 C6 1.361(7) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C8 C9 1.537(5) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C13 C14 1.526(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10 C9 1.532(6) . ?
C9 C12 1.529(6) . ?
C9 C11 1.535(6) . ?
C14 C17B 1.53(3) . ?
C14 C16A 1.425(12) . ?
C14 C15B 1.70(2) . ?
C14 C15A 1.460(10) . ?
C14 C16B 1.736(15) . ?
C14 C17A 1.48(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C2 C3 1.542(7) . ?
C2 C4 1.527(6) . ?
C2 C1 1.525(5) . ?
C2 C5 1.513(6) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C21 C19 1.542(7) . ?
C18 C19 1.536(6) . ?
C19 C20 1.525(7) . ?
C19 C22 1.532(7) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C7 C6 1.466(9) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
O13A H13A 0.9832 . ?
O13A C28A 1.32(2) . ?
C29A H29A 0.9800 . ?
C29A H29B 0.9800 . ?
C29A H29C 0.9800 . ?
C29A C28A 1.460(18) . ?
C28A H28A 0.9900 . ?
C28A H28B 0.9900 . ?
O13B H13B 0.9831 . ?
O13B C28B 1.411(19) . ?
C28B H28C 0.9900 . ?
C28B H28D 0.9900 . ?
C28B C29B 1.47(2) . ?
C29B H29D 0.9800 . ?
C29B H29E 0.9800 . ?
C29B H29F 0.9800 . ?
C17B H17A 0.9800 . ?
C17B H17B 0.9800 . ?
C17B H17C 0.9800 . ?
C16A H16A 0.9800 . ?
C16A H16B 0.9800 . ?
C16A H16C 0.9800 . ?
C15B H15A 0.9800 . ?
C15B H15B 0.9800 . ?
C15B H15C 0.9800 . ?
C15A H15D 0.9800 . ?
C15A H15E 0.9800 . ?
C15A H15F 0.9800 . ?
C16B H16D 0.9800 . ?
C16B H16E 0.9800 . ?
C16B H16F 0.9800 . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
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
Gd1 O5 C8 Na1 -109.4(7) . . . 2_666 ?
Gd1 O5 C8 O4 -114.0(7) . . . . ?
Gd1 O5 C8 C9 68.3(8) . . . . ?
Gd1 O6 C13 O7 9.7(4) . . . . ?
Gd1 O6 C13 C14 -167.8(4) . . . . ?
Gd1 O1 C1 O2 -10.9(4) 2_666 . . . ?
Gd1 O1 C1 C2 165.7(3) 2_666 . . . ?
Gd1 O8 C18 O9 2.3(7) . . . . ?
Gd1 O8 C18 C19 -179.6(3) . . . . ?
Gd1 O7 C13 O6 -9.8(4) . . . . ?
Gd1 O7 C13 C14 167.7(3) . . . . ?
Gd1 O12 C23 O11 8.6(7) 2_677 . . . ?
Gd1 O12 C23 C24 -173.1(3) 2_677 . . . ?
Gd1 O2 C1 O1 10.9(4) 2_666 . . . ?
Gd1 O2 C1 C2 -165.7(3) 2_666 . . . ?
Cu1 O11 C23 O12 -1.3(6) . . . . ?
Cu1 O11 C23 C24 -179.6(3) . . . . ?
Cu1 O9 C18 O8 4.4(6) . . . . ?
Cu1 O9 C18 C19 -173.6(3) . . . . ?
Na1 O5 C8 O4 -4.6(5) 2_666 . . . ?
Na1 O5 C8 C9 177.8(4) 2_666 . . . ?
Na1 O4 C8 Na1 129.7(12) . . . 2_666 ?
Na1 O4 C8 O5 5.0(5) 2_666 . . . ?
Na1 O4 C8 O5 134.7(9) . . . . ?
Na1 O4 C8 C9 -47.7(13) . . . . ?
Na1 O4 C8 C9 -177.4(3) 2_666 . . . ?
Na1 O2 C1 Gd1 -177.7(11) . . . 2_666 ?
Na1 O2 C1 O1 -166.8(8) . . . . ?
Na1 O2 C1 C2 16.6(13) . . . . ?
Na1 O3 C6 C7 147.9(5) . . . . ?
O5 C8 C9 C10 91.3(5) . . . . ?
O5 C8 C9 C12 -28.0(5) . . . . ?
O5 C8 C9 C11 -149.9(4) . . . . ?
O6 C13 C14 C17B 110.4(11) . . . . ?
O6 C13 C14 C16A -122.3(11) . . . . ?
O6 C13 C14 C15B 10.1(10) . . . . ?
O6 C13 C14 C15A -21.5(9) . . . . ?
O6 C13 C14 C16B -142.7(6) . . . . ?
O6 C13 C14 C17A 112.9(12) . . . . ?
O8 C18 C19 C21 -85.0(5) . . . . ?
O8 C18 C19 C20 155.3(4) . . . . ?
O8 C18 C19 C22 32.9(5) . . . . ?
O7 C13 C14 C17B -67.1(11) . . . . ?
O7 C13 C14 C16A 60.2(11) . . . . ?
O7 C13 C14 C15B -167.4(9) . . . . ?
O7 C13 C14 C15A 160.9(8) . . . . ?
O7 C13 C14 C16B 39.8(7) . . . . ?
O7 C13 C14 C17A -64.7(12) . . . . ?
O9 C18 C19 C21 93.3(5) . . . . ?
O9 C18 C19 C20 -26.5(6) . . . . ?
O9 C18 C19 C22 -148.9(4) . . . . ?
O4 C8 C9 C10 -86.4(5) . . . . ?
O4 C8 C9 C12 154.3(4) . . . . ?
O4 C8 C9 C11 32.3(6) . . . . ?
C26 C24 C23 O11 -146.3(4) . . . . ?
C26 C24 C23 O12 35.2(5) . . . . ?
C27 C24 C23 O11 -24.2(5) . . . . ?
C27 C24 C23 O12 157.3(4) . . . . ?
C3 C2 C1 Gd1 5.3(15) . . . 2_666 ?
C3 C2 C1 O1 -80.3(5) . . . . ?
C3 C2 C1 O2 96.3(5) . . . . ?
C25 C24 C23 O11 95.1(4) . . . . ?
C25 C24 C23 O12 -83.4(5) . . . . ?
C4 C2 C1 Gd1 -112.9(13) . . . 2_666 ?
C4 C2 C1 O1 161.6(4) . . . . ?
C4 C2 C1 O2 -21.8(6) . . . . ?
C5 C2 C1 Gd1 121.9(12) . . . 2_666 ?
C5 C2 C1 O1 36.4(6) . . . . ?
C5 C2 C1 O2 -147.0(4) . . . . ?
