#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:03:07 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179047 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/09/4300949.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_4300949
loop_
_publ_author_name
'Zdenek Spichal'
'Marek Necas'
'Jiri Pinkas'
_publ_section_title
;

From Parquets to Bricks: A Series of Lanthanide Coordination Polymers

with Bis(diphenylphosphino)ethane Dioxide

;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2074
_journal_page_last               2080
_journal_paper_doi               10.1021/ic048826f
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C40.75 H36 Cl3 Gd O4.75 P3'
_chemical_formula_weight         958.21
_chemical_name_systematic
; 

 ? 

;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.79(3)
_cell_angle_beta                 96.98(3)
_cell_angle_gamma                115.64(3)
_cell_formula_units_Z            2
_cell_length_a                   12.766(3)
_cell_length_b                   13.594(3)
_cell_length_c                   14.686(3)
_cell_measurement_temperature    120(2)
_cell_volume                     2125.2(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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    0.0478
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18304
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.39
_exptl_absorpt_coefficient_mu    1.902
_exptl_absorpt_correction_T_max  0.5992
_exptl_absorpt_correction_T_min  0.4498
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             957
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.986
_refine_diff_density_min         -0.706
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       0.00000(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         7464
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0286
_refine_ls_shift/su_max          7.654
_refine_ls_shift/su_mean         0.077
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0307P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0633
_reflns_number_gt                6340
_reflns_number_total             7464
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048826fsi20040825_065511_04.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2125.2(8)
_cod_database_code               4300949
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.274370(14) 0.511996(15) 0.731465(12) 0.01648(7) Uani 1 1 d . . .
Cl1 Cl 0.39789(7) 0.69886(8) 0.90017(6) 0.02482(19) Uani 1 1 d . . .
P3 P 0.15616(7) 0.66384(7) 0.60858(6) 0.01438(18) Uani 1 1 d . . .
P2 P 0.36039(7) 0.34914(7) 0.87077(6) 0.01453(18) Uani 1 1 d . . .
Cl3 Cl 0.06620(7) 0.44793(9) 0.77214(7) 0.0323(2) Uani 1 1 d . . .
P1 P 0.56308(7) 0.62269(8) 0.65275(6) 0.01683(19) Uani 1 1 d . . .
C3 C 0.0032(3) 0.5491(3) 0.5429(2) 0.0168(7) Uani 1 1 d . . .
H3A H -0.0361 0.5155 0.5893 0.020 Uiso 1 1 calc R . .
H3B H -0.0427 0.5834 0.5172 0.020 Uiso 1 1 calc R . .
C3A C 0.6836(3) 0.4405(4) 0.7677(3) 0.0386(10) Uani 1 1 d . . .
H3AA H 0.6491 0.3758 0.7883 0.046 Uiso 1 1 calc R . .
C4B C 0.7523(4) 1.0228(4) 0.7592(3) 0.0433(11) Uani 1 1 d . . .
H4BA H 0.7910 1.1059 0.7823 0.052 Uiso 1 1 calc R . .
C2C C 0.3202(3) 0.1903(3) 0.6907(3) 0.0250(8) Uani 1 1 d . . .
H2CA H 0.2804 0.2262 0.6653 0.030 Uiso 1 1 calc R . .
Cl2 Cl 0.17974(7) 0.32901(7) 0.55963(6) 0.02142(18) Uani 1 1 d . . .
C1A C 0.6618(3) 0.5763(3) 0.7017(2) 0.0176(7) Uani 1 1 d . . .
C2A C 0.6126(3) 0.4821(3) 0.7320(3) 0.0286(9) Uani 1 1 d . . .
H2AA H 0.5289 0.4456 0.7281 0.034 Uiso 1 1 calc R . .
C4C C 0.3795(3) 0.0429(3) 0.6643(3) 0.0288(9) Uani 1 1 d . . .
H4CA H 0.3804 -0.0227 0.6209 0.035 Uiso 1 1 calc R . .
C3C C 0.3241(3) 0.0966(3) 0.6277(3) 0.0316(9) Uani 1 1 d . . .
H3CA H 0.2885 0.0692 0.5590 0.038 Uiso 1 1 calc R . .
O3 O 0.22871(18) 0.6213(2) 0.65869(16) 0.0190(5) Uani 1 1 d . . .
O2 O 0.32229(18) 0.40813(19) 0.81076(15) 0.0166(5) Uani 1 1 d . . .
O1 O 0.44966(18) 0.57671(19) 0.68406(16) 0.0193(5) Uani 1 1 d . . .
C2 C 0.5036(3) 0.4506(3) 0.9623(2) 0.0157(7) Uani 1 1 d . . .
H2A H 0.5285 0.4078 0.9969 0.019 Uiso 1 1 calc R . .
H2B H 0.5658 0.4849 0.9292 0.019 Uiso 1 1 calc R . .
C4A C 0.8062(3) 0.4945(4) 0.7731(3) 0.0346(10) Uani 1 1 d . . .
H4AA H 0.8557 0.4663 0.7973 0.041 Uiso 1 1 calc R . .
C1F C 0.1457(3) 0.7776(3) 0.6962(2) 0.0161(7) Uani 1 1 d . . .
C1C C 0.3743(3) 0.2326(3) 0.7918(2) 0.0171(7) Uani 1 1 d . . .
C1B C 0.6388(3) 0.7792(3) 0.6915(2) 0.0204(7) Uani 1 1 d . . .
C1D C 0.2524(3) 0.2889(3) 0.9341(2) 0.0185(7) Uani 1 1 d . . .
C3B C 0.6690(4) 0.9629(3) 0.8021(3) 0.0337(9) Uani 1 1 d . . .
H3BA H 0.6503 1.0048 0.8548 0.040 Uiso 1 1 calc R . .
C6C C 0.4314(3) 0.1786(3) 0.8279(3) 0.0241(8) Uani 1 1 d . . .
H6CA H 0.4688 0.2064 0.8964 0.029 Uiso 1 1 calc R . .
C5B C 0.7800(4) 0.9628(4) 0.6825(3) 0.0400(10) Uani 1 1 d . . .
H5BA H 0.8375 1.0045 0.6529 0.048 Uiso 1 1 calc R . .
C6A C 0.7842(3) 0.6292(3) 0.7067(3) 0.0244(8) Uani 1 1 d . . .
H6AA H 0.8186 0.6931 0.6850 0.029 Uiso 1 1 calc R . .
C5D C 0.1942(3) 0.2028(3) 1.0551(3) 0.0280(9) Uani 1 1 d . . .
H5DA H 0.2131 0.1776 1.1060 0.034 Uiso 1 1 calc R . .
C2D C 0.1380(3) 0.2766(4) 0.9068(3) 0.0353(10) Uani 1 1 d . . .
H2DA H 0.1185 0.3028 0.8568 0.042 Uiso 1 1 calc R . .
C2E C 0.3478(3) 0.7535(3) 0.5343(3) 0.0265(8) Uani 1 1 d . . .
H2EA H 0.3897 0.7401 0.5835 0.032 Uiso 1 1 calc R . .
C4E C 0.3451(4) 0.8226(4) 0.4013(3) 0.0405(11) Uani 1 1 d . . .
H4EA H 0.3865 0.8586 0.3599 0.049 Uiso 1 1 calc R . .
C3F C 0.1910(3) 0.9013(3) 0.8638(3) 0.0332(9) Uani 1 1 d . . .
H3FA H 0.2270 0.9250 0.9320 0.040 Uiso 1 1 calc R . .
C4D C 0.0813(3) 0.1901(4) 1.0271(3) 0.0388(10) Uani 1 1 d . . .
H4DA H 0.0224 0.1564 1.0592 0.047 Uiso 1 1 calc R . .
C6D C 0.2800(3) 0.2522(3) 1.0094(2) 0.0222(8) Uani 1 1 d . . .
H6DA H 0.3584 0.2614 1.0291 0.027 Uiso 1 1 calc R . .
C3E C 0.4070(3) 0.8046(4) 0.4732(3) 0.0372(10) Uani 1 1 d . . .
H3EA H 0.4901 0.8273 0.4807 0.045 Uiso 1 1 calc R . .
C5A C 0.8557(3) 0.5882(3) 0.7436(3) 0.0291(9) Uani 1 1 d . . .
H5AA H 0.9396 0.6252 0.7484 0.035 Uiso 1 1 calc R . .
C2B C 0.6118(3) 0.8414(3) 0.7689(3) 0.0250(8) Uani 1 1 d . . .
H2BA H 0.5541 0.8006 0.7989 0.030 Uiso 1 1 calc R . .
C1E C 0.2264(3) 0.7217(3) 0.5234(2) 0.0170(7) Uani 1 1 d . . .
C2F C 0.1988(3) 0.8134(3) 0.7960(3) 0.0255(8) Uani 1 1 d . . .
H2FA H 0.2407 0.7772 0.8177 0.031 Uiso 1 1 calc R . .
C5C C 0.4337(3) 0.0839(3) 0.7634(3) 0.0306(9) Uani 1 1 d . . .
H5CA H 0.4729 0.0472 0.7881 0.037 Uiso 1 1 calc R . .
C3D C 0.0524(3) 0.2255(4) 0.9536(3) 0.0487(12) Uani 1 1 d . . .
H3DA H -0.0266 0.2150 0.9343 0.058 Uiso 1 1 calc R . .
C5F C 0.0781(3) 0.9201(3) 0.7336(3) 0.0305(9) Uani 1 1 d . . .
H5FA H 0.0372 0.9574 0.7125 0.037 Uiso 1 1 calc R . .
C6F C 0.0845(3) 0.8315(3) 0.6652(3) 0.0245(8) Uani 1 1 d . . .
H6FA H 0.0472 0.8074 0.5972 0.029 Uiso 1 1 calc R . .
C6B C 0.7237(3) 0.8410(3) 0.6487(3) 0.0314(9) Uani 1 1 d . . .
H6BA H 0.7433 0.7998 0.5962 0.038 Uiso 1 1 calc R . .
C6E C 0.1649(3) 0.7390(3) 0.4500(3) 0.0255(8) Uani 1 1 d . . .
H6EA H 0.0818 0.7163 0.4421 0.031 Uiso 1 1 calc R . .
C4F C 0.1312(3) 0.9545(3) 0.8326(3) 0.0305(9) Uani 1 1 d . . .
H4FA H 0.1264 1.0152 0.8794 0.037 Uiso 1 1 calc R . .
C5E C 0.2241(4) 0.7892(4) 0.3885(3) 0.0368(10) Uani 1 1 d . . .
H5EA H 0.1819 0.8006 0.3380 0.044 Uiso 1 1 calc R . .
C1 C 0.5323(3) 0.5673(3) 0.5209(2) 0.0196(7) Uani 1 1 d . . .
H1A H 0.4811 0.5947 0.4917 0.023 Uiso 1 1 calc R . .
H1B H 0.6092 0.5983 0.5027 0.023 Uiso 1 1 calc R . .
O10A O -0.2439(6) 0.2423(6) 0.9518(5) 0.090(3) Uani 0.685(10) 1 d P A 1
C10A C -0.171(2) 0.3533(19) 0.9530(13) 0.122(9) Uani 0.685(10) 1 d P A 1
O10B O -0.1440(18) 0.3555(14) 0.9736(15) 0.117(8) Uani 0.315(10) 1 d P A 2
C10B C -0.1365(12) 0.3165(13) 0.8755(10) 0.041(5) Uani 0.315(10) 1 d P A 2
C100 C -0.0001(13) 0.0099(13) 0.5152(9) 0.046(2) Uiso 0.50 1 d P . .
O100 O -0.0063(6) 0.0936(6) 0.5883(5) 0.0645(18) Uiso 0.50 1 d P . .
C200 C 0.501(3) 1.001(3) 0.985(2) 0.059(6) Uiso 0.25 1 d P . .
O200 O 0.3944(9) 0.9069(10) 1.0293(8) 0.042(3) Uiso 0.25 1 d P . .
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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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'
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
O3 Gd1 O2 177.60(8) . . ?
O3 Gd1 O1 86.61(8) . . ?
O2 Gd1 O1 93.95(8) . . ?
O3 Gd1 Cl3 87.03(6) . . ?
O2 Gd1 Cl3 92.46(6) . . ?
O1 Gd1 Cl3 173.48(6) . . ?
O3 Gd1 Cl1 90.45(6) . . ?
O2 Gd1 Cl1 87.25(6) . . ?
O1 Gd1 Cl1 86.97(7) . . ?
Cl3 Gd1 Cl1 94.46(5) . . ?
O3 Gd1 Cl2 91.73(6) . . ?
O2 Gd1 Cl2 90.63(6) . . ?
O1 Gd1 Cl2 85.82(7) . . ?
Cl3 Gd1 Cl2 92.99(5) . . ?
Cl1 Gd1 Cl2 172.33(2) . . ?
O3 P3 C1E 110.26(13) . . ?
O3 P3 C1F 110.98(14) . . ?
C1E P3 C1F 107.81(15) . . ?
O3 P3 C3 112.43(14) . . ?
C1E P3 C3 108.38(15) . . ?
C1F P3 C3 106.81(14) . . ?
O2 P2 C1C 109.69(14) . . ?
O2 P2 C1D 111.61(13) . . ?
C1C P2 C1D 107.94(15) . . ?
O2 P2 C2 111.52(14) . . ?
C1C P2 C2 108.61(15) . . ?
C1D P2 C2 107.34(15) . . ?
O1 P1 C1B 111.84(14) . . ?
O1 P1 C1A 109.56(14) . . ?
C1B P1 C1A 110.00(16) . . ?
O1 P1 C1 111.45(14) . . ?
C1B P1 C1 106.49(16) . . ?
C1A P1 C1 107.36(15) . . ?
C3 C3 P3 113.0(3) 2_566 . ?
C2A C3A C4A 119.3(4) . . ?
C3B C4B C5B 120.2(4) . . ?
C3C C2C C1C 120.3(3) . . ?
C2A C1A C6A 119.5(3) . . ?
C2A C1A P1 118.3(2) . . ?
C6A C1A P1 122.1(3) . . ?
C3A C2A C1A 120.8(3) . . ?
C3C C4C C5C 120.2(3) . . ?
C4C C3C C2C 120.1(3) . . ?
P3 O3 Gd1 160.56(13) . . ?
P2 O2 Gd1 175.06(14) . . ?
P1 O1 Gd1 177.76(14) . . ?
C2 C2 P2 111.7(3) 2_667 . ?
C5A C4A C3A 120.2(3) . . ?
C2F C1F C6F 119.2(3) . . ?
C2F C1F P3 120.3(2) . . ?
C6F C1F P3 120.5(3) . . ?
C6C C1C C2C 119.1(3) . . ?
C6C C1C P2 122.2(3) . . ?
C2C C1C P2 118.6(2) . . ?
C6B C1B C2B 118.9(3) . . ?
C6B C1B P1 123.0(3) . . ?
C2B C1B P1 118.1(3) . . ?
C2D C1D C6D 119.4(3) . . ?
C2D C1D P2 119.3(3) . . ?
C6D C1D P2 121.3(2) . . ?
C4B C3B C2B 120.4(4) . . ?
C5C C6C C1C 119.7(3) . . ?
C4B C5B C6B 120.0(4) . . ?
C5A C6A C1A 119.6(3) . . ?
C4D C5D C6D 119.9(3) . . ?
C1D C2D C3D 119.2(3) . . ?
C3E C2E C1E 119.6(3) . . ?
C3E C4E C5E 120.9(4) . . ?
C4F C3F C2F 120.0(3) . . ?
C3D C4D C5D 120.8(3) . . ?
C5D C6D C1D 120.3(3) . . ?
C4E C3E C2E 119.9(3) . . ?
C4A C5A C6A 120.6(3) . . ?
C3B C2B C1B 120.2(3) . . ?
C6E C1E C2E 120.0(3) . . ?
C6E C1E P3 122.0(2) . . ?
C2E C1E P3 118.0(3) . . ?
C3F C2F C1F 120.4(3) . . ?
C4C C5C C6C 120.5(3) . . ?
C4D C3D C2D 120.4(3) . . ?
C4F C5F C6F 120.2(3) . . ?
C5F C6F C1F 119.9(3) . . ?
C1B C6B C5B 120.3(4) . . ?
C5E C6E C1E 120.3(3) . . ?
C3F C4F C5F 120.3(3) . . ?
C4E C5E C6E 119.3(4) . . ?
C1 C1 P1 111.1(3) 2_666 . ?
C100 C100 O100 159(5) 2_556 . ?
C100 C100 O100 16(3) 2_556 2_556 ?
O100 C100 O100 174.8(11) . 2_556 ?
C100 O100 C100 5.2(11) . 2_556 ?
C200 C200 O200 123(10) 2_677 2_677 ?
C200 C200 O200 45(9) 2_677 . ?
O200 C200 O200 168(2) 2_677 . ?
C200 O200 C200 12(2) 2_677 . ?
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 O3 2.270(2) . ?
Gd1 O2 2.279(2) . ?
Gd1 O1 2.297(2) . ?
Gd1 Cl3 2.6160(11) . ?
Gd1 Cl1 2.6901(18) . ?
Gd1 Cl2 2.6940(17) . ?
P3 O3 1.504(2) . ?
P3 C1E 1.785(3) . ?
P3 C1F 1.790(3) . ?
P3 C3 1.807(3) . ?
P2 O2 1.508(2) . ?
P2 C1C 1.784(3) . ?
P2 C1D 1.784(3) . ?
P2 C2 1.806(3) . ?
P1 O1 1.495(2) . ?
P1 C1B 1.793(4) . ?
P1 C1A 1.793(3) . ?
P1 C1 1.799(3) . ?
C3 C3 1.530(6) 2_566 ?
C3A C2A 1.380(5) . ?
C3A C4A 1.393(5) . ?
C4B C3B 1.372(6) . ?
C4B C5B 1.380(6) . ?
C2C C3C 1.381(5) . ?
C2C C1C 1.398(5) . ?
C1A C2A 1.384(5) . ?
C1A C6A 1.391(4) . ?
C4C C3C 1.374(5) . ?
C4C C5C 1.374(5) . ?
C2 C2 1.537(6) 2_667 ?
C4A C5A 1.371(5) . ?
C1F C2F 1.388(4) . ?
C1F C6F 1.395(4) . ?
C1C C6C 1.389(4) . ?
C1B C6B 1.392(5) . ?
C1B C2B 1.397(5) . ?
C1D C2D 1.390(4) . ?
C1D C6D 1.399(4) . ?
C3B C2B 1.389(5) . ?
C6C C5C 1.389(5) . ?
C5B C6B 1.393(5) . ?
C6A C5A 1.387(5) . ?
C5D C4D 1.370(5) . ?
C5D C6D 1.373(5) . ?
C2D C3D 1.390(5) . ?
C2E C3E 1.381(5) . ?
C2E C1E 1.391(4) . ?
C4E C3E 1.381(5) . ?
C4E C5E 1.380(5) . ?
C3F C4F 1.374(5) . ?
C3F C2F 1.382(5) . ?
C4D C3D 1.369(5) . ?
C1E C6E 1.387(4) . ?
C5F C4F 1.381(5) . ?
C5F C6F 1.383(5) . ?
C6E C5E 1.381(5) . ?
C1 C1 1.538(6) 2_666 ?
O10A C10A 1.381(19) . ?
O10B C10B 1.42(2) . ?
C100 C100 0.45(2) 2_556 ?
C100 O100 1.374(13) . ?
C100 O100 1.805(15) 2_556 ?
O100 C100 1.805(15) 2_556 ?
C200 C200 0.44(6) 2_677 ?
C200 O200 1.47(3) 2_677 ?
C200 O200 1.75(3) . ?
O200 C200 1.47(4) 2_677 ?
