#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:55:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179312 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/09/4320974.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_4320974
loop_
_publ_author_name
'Dirk Pfeiffer'
'Mary Jane Heeg'
'Charles H. Winter'
_publ_section_title
;
 Synthesis and Characterization of Calcium Complexes Containing
 η2-Pyrazolato Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2377
_journal_page_last               2384
_journal_paper_doi               10.1021/ic991049c
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C30 H56 Ca N4 O4'
_chemical_formula_weight         576.87
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 92.7790(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6413(3)
_cell_length_b                   11.0950(2)
_cell_length_c                   30.3077(8)
_cell_measurement_reflns_used    6047
_cell_measurement_temperature    295(2)
_cell_volume                     3574.08(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXTL-Plus
_computing_publication_material  SHELXL-93
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device       'Bruker P4/CCD'
_diffrn_measurement_method       'SMART CCD'
_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  0.051
_diffrn_reflns_av_sigmaI/netI    0.0756
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            20261
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    0.210
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.072
_exptl_crystal_description       rod
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.381
_refine_diff_density_min         -0.232
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       0.0024(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.949
_refine_ls_goodness_of_fit_obs   1.121
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         7488
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.956
_refine_ls_restrained_S_obs      1.121
_refine_ls_R_factor_all          0.1268
_refine_ls_R_factor_obs          0.0602
_refine_ls_shift/esd_max         -0.006
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0940P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1739
_refine_ls_wR_factor_obs         0.1470
_reflns_number_observed          4013
_reflns_number_total             7489
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic991049c_4.cif
_cod_data_source_block           oooo(5)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0940P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0940P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3574.1(2)
_cod_database_code               4320974
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'
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ca1 Ca 0.50202(5) 0.09696(4) 0.15128(2) 0.0435(2) Uani 1 d . .
N1 N 0.6681(2) 0.1856(2) 0.20056(7) 0.0458(5) Uani 1 d . .
N2 N 0.6434(2) 0.2601(2) 0.16426(7) 0.0506(6) Uani 1 d . .
C1 C 0.7832(2) 0.2118(2) 0.21730(8) 0.0443(6) Uani 1 d . .
C2 C 0.8353(3) 0.3028(2) 0.19251(9) 0.0545(7) Uani 1 d . .
H2 H 0.9141(3) 0.3382(2) 0.19715(9) 0.065 Uiso 1 calc R .
C3 C 0.7457(3) 0.3295(2) 0.15961(8) 0.0538(7) Uani 1 d . .
C4 C 0.8414(3) 0.1436(2) 0.25636(9) 0.0528(7) Uani 1 d . .
C5 C 0.9482(3) 0.2179(3) 0.27851(11) 0.0757(9) Uani 1 d . .
H5A H 0.9816(12) 0.1761(8) 0.3042(4) 0.091 Uiso 1 calc R .
H5B H 0.9163(5) 0.2950(7) 0.2871(6) 0.091 Uiso 1 calc R .
H5C H 1.0135(8) 0.2292(14) 0.2581(2) 0.091 Uiso 1 calc R .
C6 C 0.7428(3) 0.1188(3) 0.29001(10) 0.0743(9) Uani 1 d . .
H6A H 0.7805(5) 0.0743(15) 0.3144(3) 0.089 Uiso 1 calc R .
H6B H 0.6753(9) 0.0727(15) 0.2764(2) 0.089 Uiso 1 calc R .
H6C H 0.7107(13) 0.1938(3) 0.3005(5) 0.089 Uiso 1 calc R .
C7 C 0.8944(3) 0.0246(3) 0.24015(12) 0.0823(10) Uani 1 d . .
H7A H 0.9382(16) -0.0159(9) 0.2643(2) 0.099 Uiso 1 calc R .
H7B H 0.9516(15) 0.0403(3) 0.2173(5) 0.099 Uiso 1 calc R .
H7C H 0.8268(4) -0.0253(8) 0.2287(6) 0.099 Uiso 1 calc R .
C8 C 0.7504(4) 0.4188(3) 0.12197(10) 0.0757(10) Uani 1 d . .
C9 C 0.7530(6) 0.3544(4) 0.07905(11) 0.138(2) Uani 1 d . .
H9A H 0.7398(31) 0.4110(6) 0.05532(11) 0.166 Uiso 1 calc R .
H9B H 0.6876(19) 0.2947(20) 0.0774(5) 0.166 Uiso 1 calc R .
H9C H 0.8331(11) 0.3159(23) 0.0767(5) 0.166 Uiso 1 calc R .
C10 C 0.6282(6) 0.4948(4) 0.1203(2) 0.151(2) Uani 1 d . .
H10A H 0.6167(18) 0.5297(26) 0.1488(4) 0.182 Uiso 1 calc R .
H10B H 0.5577(7) 0.4440(8) 0.1122(11) 0.182 Uiso 1 calc R .
H10C H 0.6343(15) 0.5577(20) 0.0988(9) 0.182 Uiso 1 calc R .
C11 C 0.8546(6) 0.5068(5) 0.1294(2) 0.177(3) Uani 1 d . .
H11A H 0.8483(22) 0.5440(27) 0.1578(6) 0.213 Uiso 1 calc R .
H11B H 0.8489(24) 0.5676(22) 0.1068(8) 0.213 Uiso 1 calc R .
H11C H 0.9338(6) 0.4658(8) 0.1283(13) 0.213 Uiso 1 calc R .
N3 N 0.3344(2) 0.0357(2) 0.10176(7) 0.0545(6) Uani 1 d . .
N4 N 0.3517(2) 0.1573(2) 0.09271(7) 0.0593(6) Uani 1 d . .
C12 C 0.2454(3) -0.0062(3) 0.07352(9) 0.0568(7) Uani 1 d . .
C13 C 0.2031(3) 0.0857(3) 0.04587(9) 0.0663(8) Uani 1 d . .
H13 H 0.1411(3) 0.0808(3) 0.02322(9) 0.080 Uiso 1 calc R .
C14 C 0.2722(3) 0.1869(3) 0.05894(9) 0.0607(8) Uani 1 d . .
C15 C 0.2023(3) -0.1360(3) 0.07509(10) 0.0725(9) Uani 1 d . .
C16 C 0.1621(8) -0.1813(5) 0.0306(2) 0.224(4) Uani 1 d . .
H16A H 0.1419(53) -0.2654(13) 0.0324(4) 0.269 Uiso 1 calc R .
H16B H 0.2290(19) -0.1703(46) 0.0109(5) 0.269 Uiso 1 calc R .
H16C H 0.0892(31) -0.1375(36) 0.0197(8) 0.269 Uiso 1 calc R .
C17 C 0.3021(6) -0.2134(4) 0.0948(2) 0.181(3) Uani 1 d . .
H17A H 0.3675(19) -0.2227(30) 0.0744(6) 0.218 Uiso 1 calc R .
H17B H 0.2677(10) -0.2910(13) 0.1014(13) 0.218 Uiso 1 calc R .
H17C H 0.3361(27) -0.1771(19) 0.1215(7) 0.218 Uiso 1 calc R .
C18 C 0.0943(7) -0.1439(5) 0.1044(3) 0.215(4) Uani 1 d . .
H18A H 0.0613(33) -0.2245(13) 0.1036(14) 0.258 Uiso 1 calc R .
H18B H 0.0298(20) -0.0885(35) 0.0943(10) 0.258 Uiso 1 calc R .
H18C H 0.1221(11) -0.1240(45) 0.1341(4) 0.258 Uiso 1 calc R .
C19 C 0.2691(4) 0.3112(3) 0.03965(12) 0.0845(11) Uani 1 d . .
C20 C 0.2695(8) 0.4049(4) 0.0744(2) 0.190(3) Uani 1 d . .
H20A H 0.2693(45) 0.4832(4) 0.0609(2) 0.228 Uiso 1 calc R .
H20B H 0.3435(22) 0.3961(26) 0.0936(9) 0.228 Uiso 1 calc R .
H20C H 0.1960(22) 0.3961(26) 0.0913(10) 0.228 Uiso 1 calc R .
C21 C 0.3900(5) 0.3334(5) 0.0151(2) 0.158(2) Uani 1 d . .
H21A H 0.4612(6) 0.3049(28) 0.0327(5) 0.190 Uiso 1 calc R .
H21B H 0.3991(18) 0.4182(5) 0.0097(10) 0.190 Uiso 1 calc R .
H21C H 0.3851(14) 0.2911(25) -0.0126(5) 0.190 Uiso 1 calc R .
C22 C 0.1650(6) 0.3264(5) 0.0063(2) 0.200(3) Uani 1 d . .
H22A H 0.1788(24) 0.2753(34) -0.0186(7) 0.241 Uiso 1 calc R .
H22B H 0.1613(31) 0.4089(11) -0.0032(13) 0.241 Uiso 1 calc R .
H22C H 0.0871(8) 0.3048(43) 0.0189(5) 0.241 Uiso 1 calc R .
O1 O 0.6369(2) 0.0570(2) 0.08884(7) 0.0737(6) Uani 1 d . .
O2 O 0.6404(2) -0.0894(2) 0.15967(7) 0.0725(6) Uani 1 d . .
O3 O 0.4421(2) -0.0597(2) 0.20704(6) 0.0582(5) Uani 1 d . .
O4 O 0.3323(2) 0.1625(2) 0.20112(6) 0.0628(5) Uani 1 d . .
C23 C 0.5876(4) 0.0173(4) 0.04707(12) 0.1103(14) Uani 1 d . .
H23A H 0.5218(17) 0.0708(14) 0.0367(4) 0.132 Uiso 1 calc R .
H23B H 0.5544(22) -0.0627(10) 0.0498(2) 0.132 Uiso 1 calc R .
H23C H 0.6534(7) 0.0167(22) 0.0265(2) 0.132 Uiso 1 calc R .
C24 C 0.7493(4) 0.0016(4) 0.10367(14) 0.0983(12) Uani 1 d . .
H24A H 0.7944(4) 0.0539(4) 0.12466(14) 0.118 Uiso 1 calc R .
H24B H 0.8020(4) -0.0117(4) 0.07892(14) 0.118 Uiso 1 calc R .
C25 C 0.7217(4) -0.1169(4) 0.12535(13) 0.1014(13) Uani 1 d . .
H25A H 0.6812(4) -0.1720(4) 0.10424(13) 0.122 Uiso 1 calc R .
H25B H 0.7988(4) -0.1537(4) 0.13729(13) 0.122 Uiso 1 calc R .
C26 C 0.5967(4) -0.1914(3) 0.18332(12) 0.0783(10) Uani 1 d . .
H26A H 0.6668(4) -0.2430(3) 0.19251(12) 0.094 Uiso 1 calc R .
H26B H 0.5379(4) -0.2379(3) 0.16476(12) 0.094 Uiso 1 calc R .
C27 C 0.5347(3) -0.1451(3) 0.22196(10) 0.0684(9) Uani 1 d . .
H27A H 0.4954(3) -0.2107(3) 0.23736(10) 0.082 Uiso 1 calc R .
H27B H 0.5959(3) -0.1069(3) 0.24218(10) 0.082 Uiso 1 calc R .
C28 C 0.3737(3) -0.0135(3) 0.24239(10) 0.0713(9) Uani 1 d . .
H28A H 0.4291(3) 0.0317(3) 0.26265(10) 0.086 Uiso 1 calc R .
H28B H 0.3365(3) -0.0789(3) 0.25852(10) 0.086 Uiso 1 calc R .
C29 C 0.2748(3) 0.0655(3) 0.22298(11) 0.0736(9) Uani 1 d . .
H29A H 0.2212(3) 0.0204(3) 0.20212(11) 0.088 Uiso 1 calc R .
H29B H 0.2233(3) 0.0962(3) 0.24599(11) 0.088 Uiso 1 calc R .
C30 C 0.2444(4) 0.2491(4) 0.18392(13) 0.1038(13) Uani 1 d . .
H30A H 0.2882(4) 0.3113(12) 0.1689(7) 0.125 Uiso 1 calc R .
H30B H 0.2002(16) 0.2838(16) 0.2077(2) 0.125 Uiso 1 calc R .
H30C H 0.1854(14) 0.2105(5) 0.1635(6) 0.125 Uiso 1 calc R .
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'
Ca Ca 0.2262 0.3064 '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
N2 Ca1 N3 140.69(8) . . ?
N2 Ca1 N4 107.53(8) . . ?
N3 Ca1 N4 33.67(7) . . ?
N2 Ca1 N1 33.35(7) . . ?
N3 Ca1 N1 173.09(7) . . ?
N4 Ca1 N1 139.64(7) . . ?
N2 Ca1 O1 82.91(7) . . ?
N3 Ca1 O1 84.90(8) . . ?
N4 Ca1 O1 82.88(8) . . ?
N1 Ca1 O1 96.31(7) . . ?
N2 Ca1 O4 98.50(7) . . ?
N3 Ca1 O4 85.58(7) . . ?
N4 Ca1 O4 83.82(7) . . ?
N1 Ca1 O4 92.01(7) . . ?
O1 Ca1 O4 166.42(7) . . ?
N2 Ca1 O3 126.29(7) . . ?
N3 Ca1 O3 91.12(7) . . ?
N4 Ca1 O3 120.02(7) . . ?
N1 Ca1 O3 93.78(7) . . ?
O1 Ca1 O3 124.30(7) . . ?
O4 Ca1 O3 65.54(7) . . ?
N2 Ca1 O2 104.12(8) . . ?
N3 Ca1 O2 104.11(8) . . ?
N4 Ca1 O2 130.96(8) . . ?
N1 Ca1 O2 82.50(7) . . ?
O1 Ca1 O2 64.90(7) . . ?
O4 Ca1 O2 127.10(7) . . ?
O3 Ca1 O2 62.45(7) . . ?
N2 Ca1 C24 78.50(10) . . ?
N3 Ca1 C24 103.10(10) . . ?
N4 Ca1 C24 106.58(10) . . ?
N1 Ca1 C24 79.99(9) . . ?
O1 Ca1 C24 23.85(9) . . ?
O4 Ca1 C24 169.59(9) . . ?
O3 Ca1 C24 108.05(9) . . ?
O2 Ca1 C24 45.62(9) . . ?
C1 N1 N2 107.8(2) . . ?
C1 N1 Ca1 159.3(2) . . ?
N2 N1 Ca1 69.82(12) . . ?
C3 N2 N1 107.5(2) . . ?
C3 N2 Ca1 158.1(2) . . ?
N1 N2 Ca1 76.83(13) . . ?
N1 C1 C2 109.6(2) . . ?
N1 C1 C4 121.4(2) . . ?
C2 C1 C4 128.9(2) . . ?
C3 C2 C1 105.5(2) . . ?
N2 C3 C2 109.6(2) . . ?
N2 C3 C8 120.6(3) . . ?
C2 C3 C8 129.7(3) . . ?
C1 C4 C6 110.2(2) . . ?
C1 C4 C7 108.9(2) . . ?
C6 C4 C7 109.7(3) . . ?
C1 C4 C5 109.9(2) . . ?
C6 C4 C5 108.9(2) . . ?
C7 C4 C5 109.2(2) . . ?
C9 C8 C11 113.8(4) . . ?
C9 C8 C3 110.3(3) . . ?
C11 C8 C3 111.6(3) . . ?
C9 C8 C10 106.5(4) . . ?
C11 C8 C10 105.5(4) . . ?
C3 C8 C10 108.8(3) . . ?
C12 N3 N4 108.0(2) . . ?
C12 N3 Ca1 175.7(2) . . ?
N4 N3 Ca1 75.18(13) . . ?
C14 N4 N3 107.7(2) . . ?
C14 N4 Ca1 176.9(2) . . ?
N3 N4 Ca1 71.15(13) . . ?
N3 C12 C13 109.5(3) . . ?
N3 C12 C15 121.4(3) . . ?
C13 C12 C15 129.1(3) . . ?
C12 C13 C14 105.7(2) . . ?
N4 C14 C13 109.1(2) . . ?
N4 C14 C19 121.8(3) . . ?
C13 C14 C19 129.1(3) . . ?
C17 C15 C16 110.0(5) . . ?
C17 C15 C18 106.7(5) . . ?
C16 C15 C18 108.9(5) . . ?
C17 C15 C12 110.8(3) . . ?
C16 C15 C12 111.6(3) . . ?
C18 C15 C12 108.6(3) . . ?
C22 C19 C20 112.6(5) . . ?
C22 C19 C14 112.1(3) . . ?
C20 C19 C14 111.7(3) . . ?
C22 C19 C21 105.5(4) . . ?
C20 C19 C21 105.0(4) . . ?
C14 C19 C21 109.5(3) . . ?
C24 O1 C23 115.1(3) . . ?
C24 O1 Ca1 110.6(2) . . ?
C23 O1 Ca1 122.5(2) . . ?
C25 O2 C26 115.0(3) . . ?
C25 O2 Ca1 118.2(2) . . ?
C26 O2 Ca1 119.5(2) . . ?
C28 O3 C27 111.9(2) . . ?
C28 O3 Ca1 114.3(2) . . ?
C27 O3 Ca1 118.5(2) . . ?
C29 O4 C30 113.2(3) . . ?
C29 O4 Ca1 113.5(2) . . ?
C30 O4 Ca1 117.0(2) . . ?
O1 C24 C25 110.0(3) . . ?
O1 C24 Ca1 45.55(14) . . ?
C25 C24 Ca1 84.9(2) . . ?
O2 C25 C24 105.7(3) . . ?
O2 C26 C27 107.1(2) . . ?
O3 C27 C26 108.1(2) . . ?
O3 C28 C29 107.3(2) . . ?
O4 C29 C28 108.9(2) . . ?
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
Ca1 N2 2.374(2) . ?
Ca1 N3 2.374(2) . ?
Ca1 N4 2.425(2) . ?
Ca1 N1 2.463(2) . ?
Ca1 O1 2.470(2) . ?
Ca1 O4 2.518(2) . ?
Ca1 O3 2.528(2) . ?
Ca1 O2 2.544(2) . ?
Ca1 C24 3.239(4) . ?
N1 C1 1.335(3) . ?
N1 N2 1.391(3) . ?
N2 C3 1.347(3) . ?
C1 C2 1.389(3) . ?
C1 C4 1.512(4) . ?
C2 C3 1.378(4) . ?
C3 C8 1.514(4) . ?
C4 C6 1.523(4) . ?
C4 C7 1.526(4) . ?
C4 C5 1.533(4) . ?
C8 C9 1.485(5) . ?
C8 C11 1.486(5) . ?
C8 C10 1.549(6) . ?
N3 C12 1.329(3) . ?
N3 N4 1.391(3) . ?
N4 C14 1.336(3) . ?
C12 C13 1.381(4) . ?
C12 C15 1.512(4) . ?
C13 C14 1.390(4) . ?
C14 C19 1.498(4) . ?
C15 C17 1.470(6) . ?
C15 C16 1.483(5) . ?
C15 C18 1.488(6) . ?
C19 C22 1.473(6) . ?
C19 C20 1.480(6) . ?
C19 C21 1.537(6) . ?
O1 C24 1.399(4) . ?
O1 C23 1.417(4) . ?
O2 C25 1.418(4) . ?
O2 C26 1.428(3) . ?
O3 C28 1.420(3) . ?
O3 C27 1.424(3) . ?
O4 C29 1.418(4) . ?
O4 C30 1.422(4) . ?
C24 C25 1.506(5) . ?
C26 C27 1.465(4) . ?
C28 C29 1.470(4) . ?
