#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/13/2201319.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2201319
loop_
_publ_author_name
'Jian-Rong Li'
'Li-Zhen Cai'
'Ru-Qiang Zou'
'Guo-Wei Zhou'
'Guo-Cong Guo'
'Xian-He Bu'
'Jin-Shun Huang'
_publ_section_title
;Pentacyanoferrate(III)-μ-cyano-triaquatetrakis(dimethylformamide)europium(III)
 hydrate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m686
_journal_page_last               m687
_journal_paper_doi               10.1107/S1600536802019578
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Eu Fe (C N)6 (C3 H7 N O)4 (H2 O)3], H2 O'
_chemical_formula_moiety         'C18 H34 Eu Fe N10 O7, H2 O'
_chemical_formula_sum            'C18 H36 Eu Fe N10 O8'
_chemical_formula_weight         728.38
_chemical_name_systematic
;
Pentacyanoiron-m-cyano-triaquatetrakis(dimethylformamide)europium
hydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 96.12(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.633(4)
_cell_length_b                   8.8791(18)
_cell_length_c                   19.831(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.92
_cell_measurement_theta_min      30.14
_cell_volume                     3087.1(11)
_computing_cell_refinement       TEXSAN
_computing_data_collection
'TEXSAN (Molecular Structure Corporation, 1999)'
_computing_data_reduction        TEXSAN
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.717
_diffrn_measured_fraction_theta_max 0.717
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       2θ-ω
_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  0.0497
_diffrn_reflns_av_sigmaI/netI    0.0263
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            7448
_diffrn_reflns_theta_full        31.02
_diffrn_reflns_theta_max         31.02
_diffrn_reflns_theta_min         1.63
_diffrn_standards_decay_%        -1.285
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.536
_exptl_absorpt_correction_T_max  0.9994
_exptl_absorpt_correction_T_min  0.7467
_exptl_absorpt_correction_type   '\y scan'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1468
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.641
_refine_diff_density_min         -1.424
_refine_ls_extinction_coef       0.00100(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         7067
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0609P)²+3.1152P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.0951
_reflns_number_gt                5832
_reflns_number_total             7067
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt6208.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (9 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Monoclinic' changed to 'monoclinic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_geom_bond_publ_flag'
value 'Yes' changed to 'yes' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (9
times).

'_geom_angle_publ_flag' value 'Yes' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (2
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3087.2(11)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        C18H36EuFeN10O8
_cod_database_code               2201319
_cod_database_fobs_code          2201319
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_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Eu1 0.271450(8) 0.582069(19) 0.523943(9) 0.02423(8) Uani d . 1 . . Eu
Fe1 0.45678(2) 0.25145(5) 0.71199(3) 0.02284(12) Uani d . 1 . . Fe
N1 0.36330(19) 0.4715(4) 0.6150(2) 0.0438(9) Uani d . 1 . . N
N2 0.5389(3) 0.0158(5) 0.8110(3) 0.0683(14) Uani d . 1 . . N
N3 0.5481(2) 0.2149(5) 0.5830(2) 0.0565(12) Uani d . 1 . . N
N4 0.3705(2) 0.2979(5) 0.8454(2) 0.0484(10) Uani d . 1 . . N
N5 0.5503(2) 0.5052(5) 0.7809(3) 0.0594(12) Uani d . 1 . . N
N6 0.3666(2) -0.0072(4) 0.6412(3) 0.0548(11) Uani d . 1 . . N
N11 0.4159(2) 0.2718(4) 0.4195(2) 0.0464(9) Uani d . 1 . . N
N21 0.2631(2) 0.7716(7) 0.2821(2) 0.0656(14) Uani d . 1 . . N
N31 0.16569(19) 0.2797(4) 0.6802(2) 0.0393(8) Uani d . 1 . . N
N41 0.1219(3) 0.2081(6) 0.4679(3) 0.0660(13) Uani d . 1 . . N
C1 0.39956(18) 0.3933(4) 0.6511(2) 0.0293(8) Uani d . 1 . . C
C2 0.5093(2) 0.1046(4) 0.7735(3) 0.0388(10) Uani d . 1 . . C
C3 0.51388(19) 0.2273(4) 0.6304(2) 0.0349(9) Uani d . 1 . . C
C4 0.40148(19) 0.2803(4) 0.7948(2) 0.0334(8) Uani d . 1 . . C
C5 0.5155(2) 0.4119(4) 0.7546(2) 0.0339(8) Uani d . 1 . . C
C6 0.39951(19) 0.0893(4) 0.6682(2) 0.0338(8) Uani d . 1 . . C
C11 0.4000(3) 0.4130(6) 0.4240(3) 0.0564(14) Uani d . 1 . . C
H11A 0.4315 0.4817 0.4051 0.068 Uiso calc R 1 . . H
C12 0.4767(4) 0.2247(9) 0.3858(5) 0.093(2) Uani d . 1 . . C
H12A 0.5008 0.3106 0.3680 0.139 Uiso calc R 1 . . H
H12B 0.4584 0.1587 0.3493 0.139 Uiso calc R 1 . . H
H12C 0.5129 0.1721 0.4169 0.139 Uiso calc R 1 . . H
C13 0.3732(5) 0.1577(8) 0.4477(7) 0.131(4) Uani d . 1 . . C
H13A 0.3327 0.2026 0.4694 0.196 Uiso calc R 1 . . H
H13B 0.4058 0.1016 0.4805 0.196 Uiso calc R 1 . . H
H13C 0.3521 0.0913 0.4124 0.196 Uiso calc R 1 . . H
C21 0.2829(3) 0.7137(7) 0.3471(3) 0.0587(14) Uani d . 1 . . C
H21A 0.3349 0.6947 0.3557 0.070 Uiso calc R 1 . . H
C22 0.1915(4) 0.8049(19) 0.2623(5) 0.208(8) Uani d . 1 . . C
H22A 0.1606 0.7806 0.2977 0.312 Uiso calc R 1 . . H
H22B 0.1745 0.7480 0.2224 0.312 Uiso calc R 1 . . H
H22C 0.1872 0.9106 0.2523 0.312 Uiso calc R 1 . . H
C23 0.3099(4) 0.8063(13) 0.2260(5) 0.129(4) Uani d . 1 . . C
H23A 0.2776 0.8443 0.1877 0.194 Uiso calc R 1 . . H
H23B 0.3349 0.7163 0.2132 0.194 Uiso calc R 1 . . H
H23C 0.3475 0.8808 0.2409 0.194 Uiso calc R 1 . . H
C31 0.1662(2) 0.4147(5) 0.6516(3) 0.0445(11) Uani d . 1 . . C
H31A 0.1233 0.4741 0.6544 0.053 Uiso calc R 1 . . H
C32 0.1044(3) 0.2215(7) 0.7096(4) 0.0701(18) Uani d . 1 . . C
H32A 0.0640 0.2942 0.7068 0.105 Uiso calc R 1 . . H
H32B 0.1199 0.1983 0.7563 0.105 Uiso calc R 1 . . H
H32C 0.0869 0.1314 0.6861 0.105 Uiso calc R 1 . . H
C33 0.2240(3) 0.1824(7) 0.6826(4) 0.080(2) Uani d . 1 . . C
H33A 0.2651 0.2265 0.6614 0.120 Uiso calc R 1 . . H
H33B 0.2076 0.0915 0.6592 0.120 Uiso calc R 1 . . H
H33C 0.2411 0.1594 0.7291 0.120 Uiso calc R 1 . . H
C41 0.1471(3) 0.3417(6) 0.4660(3) 0.0553(13) Uani d . 1 . . C
H41A 0.1222 0.3855 0.4240 0.066 Uiso calc R 1 . . H
C42 0.1637(6) 0.0791(8) 0.4734(7) 0.131(4) Uani d . 1 . . C
H42A 0.2170 0.1036 0.4760 0.196 Uiso calc R 1 . . H
H42B 0.1500 0.0169 0.4344 0.196 Uiso calc R 1 . . H
H42C 0.1536 0.0259 0.5136 0.196 Uiso calc R 1 . . H
C43 0.0482(4) 0.1865(12) 0.4644(5) 0.118(4) Uani d . 1 . . C
H43A 0.0225 0.2819 0.4611 0.177 Uiso calc R 1 . . H
H43B 0.0361 0.1347 0.5043 0.177 Uiso calc R 1 . . H
H43C 0.0319 0.1270 0.4251 0.177 Uiso calc R 1 . . H
O1W 0.35552(15) 0.7768(3) 0.51615(18) 0.0444(8) Uani d . 1 . . O
O2W 0.26578(15) 0.7736(4) 0.62169(19) 0.0505(9) Uani d . 1 . . O
O3W 0.15759(15) 0.6869(4) 0.50913(17) 0.0451(7) Uani d . 1 . . O
O4W 0.06700(18) 0.7533(4) 0.39143(19) 0.0523(8) Uani d . 1 . . O
O11 0.34818(18) 0.4610(4) 0.4504(2) 0.0520(9) Uani d . 1 . . O
O21 0.24661(17) 0.6806(4) 0.39742(18) 0.0522(9) Uani d . 1 . . O
O31 0.21597(17) 0.4688(4) 0.62251(19) 0.0505(8) Uani d . 1 . . O
O41 0.20856(19) 0.3726(4) 0.4674(2) 0.0551(9) Uani d . 1 . . O
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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_publ_flag
O3W Eu1 O1W 105.01(12) ?
O3W Eu1 O11 133.32(13) ?
O1W Eu1 O11 83.34(11) ?
O3W Eu1 O41 83.98(13) ?
O1W Eu1 O41 145.93(12) ?
O11 Eu1 O41 67.75(12) ?
O3W Eu1 O31 81.17(12) ?
O1W Eu1 O31 131.94(12) ?
O11 Eu1 O31 127.05(13) ?
O41 Eu1 O31 81.49(13) ?
O3W Eu1 N1 140.75(13) ?
O1W Eu1 N1 88.33(13) ?
O11 Eu1 N1 84.11(13) ?
O41 Eu1 N1 105.50(13) ?
O31 Eu1 N1 63.37(11) ?
O3W Eu1 O2W 73.45(11) ?
O1W Eu1 O2W 68.41(10) ?
O11 Eu1 O2W 146.63(11) ?
O41 Eu1 O2W 144.26(10) ?
O31 Eu1 O2W 68.13(12) ?
N1 Eu1 O2W 77.89(13) ?
O3W Eu1 O21 71.22(12) ?
O1W Eu1 O21 74.34(12) ?
O11 Eu1 O21 67.14(12) ?
O41 Eu1 O21 77.91(13) ?
O31 Eu1 O21 146.92(10) ?
N1 Eu1 O21 147.63(11) ?
O2W Eu1 O21 118.46(12) ?
O3W Eu1 C41 69.66(14) ?
O1W Eu1 C41 154.95(14) ?
O11 Eu1 C41 83.66(13) ?
O41 Eu1 C41 16.18(13) ?
O31 Eu1 C41 72.51(14) ?
N1 Eu1 C41 111.50(15) ?
O2W Eu1 C41 129.06(12) ?
O21 Eu1 C41 80.89(14) ?
C5 Fe1 C6 178.84(16) ?
C5 Fe1 C2 91.32(18) ?
C6 Fe1 C2 88.47(18) ?
C5 Fe1 C1 90.72(17) ?
C6 Fe1 C1 89.53(16) ?
C2 Fe1 C1 177.20(15) ?
C5 Fe1 C3 98.17(17) ?
C6 Fe1 C3 80.75(16) ?
C2 Fe1 C3 100.78(18) ?
C1 Fe1 C3 80.81(16) ?
C5 Fe1 C4 80.24(17) ?
C6 Fe1 C4 100.83(16) ?
C2 Fe1 C4 79.29(18) ?
C1 Fe1 C4 99.18(16) ?
C3 Fe1 C4 178.42(16) ?
C1 N1 Eu1 165.7(4) yes
C11 N11 C12 120.8(5) ?
C11 N11 C13 122.7(5) ?
C12 N11 C13 116.5(6) ?
C22 N21 C21 119.7(5) ?
C22 N21 C23 108.8(6) ?
C21 N21 C23 131.5(5) ?
C31 N31 C33 123.9(4) ?
C31 N31 C32 124.1(4) ?
C33 N31 C32 112.0(5) ?
C41 N41 C43 119.0(7) ?
C41 N41 C42 127.0(6) ?
C43 N41 C42 114.1(7) ?
N1 C1 Fe1 176.7(3) yes
N2 C2 Fe1 178.2(4) ?
N3 C3 Fe1 179.0(4) ?
N4 C4 Fe1 178.0(4) ?
N5 C5 Fe1 178.7(5) ?
N6 C6 Fe1 178.5(4) ?
O11 C11 N11 124.5(5) ?
O11 C11 H11A 117.8 ?
N11 C11 H11A 117.8 ?
N11 C12 H12A 109.5 ?
N11 C12 H12B 109.5 ?
H12A C12 H12B 109.5 ?
N11 C12 H12C 109.5 ?
H12A C12 H12C 109.5 ?
H12B C12 H12C 109.5 ?
N11 C13 H13A 109.5 ?
N11 C13 H13B 109.5 ?
H13A C13 H13B 109.5 ?
N11 C13 H13C 109.5 ?
H13A C13 H13C 109.5 ?
H13B C13 H13C 109.5 ?
O21 C21 N21 135.3(4) ?
O21 C21 H21A 112.4 ?
N21 C21 H21A 112.4 ?
N21 C22 H22A 109.5 ?
N21 C22 H22B 109.5 ?
H22A C22 H22B 109.5 ?
N21 C22 H22C 109.5 ?
H22A C22 H22C 109.5 ?
H22B C22 H22C 109.5 ?
N21 C23 H23A 109.5 ?
N21 C23 H23B 109.5 ?
H23A C23 H23B 109.5 ?
N21 C23 H23C 109.5 ?
H23A C23 H23C 109.5 ?
H23B C23 H23C 109.5 ?
O31 C31 N31 127.3(4) ?
O31 C31 H31A 116.3 ?
N31 C31 H31A 116.3 ?
N31 C32 H32A 109.5 ?
N31 C32 H32B 109.5 ?
H32A C32 H32B 109.5 ?
N31 C32 H32C 109.5 ?
H32A C32 H32C 109.5 ?
H32B C32 H32C 109.5 ?
N31 C33 H33A 109.5 ?
N31 C33 H33B 109.5 ?
H33A C33 H33B 109.5 ?
N31 C33 H33C 109.5 ?
H33A C33 H33C 109.5 ?
H33B C33 H33C 109.5 ?
O41 C41 N41 124.8(6) ?
O41 C41 Eu1 36.5(3) ?
N41 C41 Eu1 147.7(4) ?
O41 C41 H41A 105.6 ?
N41 C41 H41A 105.6 ?
Eu1 C41 H41A 105.6 ?
N41 C42 H42A 109.5 ?
N41 C42 H42B 109.5 ?
H42A C42 H42B 109.5 ?
N41 C42 H42C 109.5 ?
H42A C42 H42C 109.5 ?
H42B C42 H42C 109.5 ?
N41 C43 H43A 109.5 ?
N41 C43 H43B 109.5 ?
H43A C43 H43B 109.5 ?
N41 C43 H43C 109.5 ?
H43A C43 H43C 109.5 ?
H43B C43 H43C 109.5 ?
C11 O11 Eu1 164.5(4) ?
C21 O21 Eu1 140.5(3) ?
C31 O31 Eu1 155.2(3) ?
C41 O41 Eu1 127.3(4) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Eu1 O3W . 2.204(3) yes
Eu1 O1W . 2.293(3) yes
Eu1 O11 . 2.353(3) yes
Eu1 O41 . 2.383(3) yes
Eu1 O31 . 2.489(3) yes
Eu1 N1 . 2.495(4) yes
Eu1 O2W . 2.589(3) yes
Eu1 O21 . 2.649(3) yes
Eu1 C41 . 3.185(5) ?
Fe1 C5 . 1.905(4) ?
Fe1 C6 . 1.913(4) ?
Fe1 C2 . 1.951(4) ?
Fe1 C1 . 1.951(4) ?
Fe1 C3 . 2.006(4) ?
Fe1 C4 . 2.013(4) ?
N1 C1 . 1.142(5) yes
N2 C2 . 1.167(6) ?
N3 C3 . 1.175(6) ?
N4 C4 . 1.202(6) ?
N5 C5 . 1.126(6) ?
N6 C6 . 1.136(5) ?
N11 C11 . 1.290(6) ?
N11 C12 . 1.386(7) ?
N11 C13 . 1.413(8) ?
N21 C22 . 1.315(8) ?
N21 C21 . 1.397(7) ?
N21 C23 . 1.487(8) ?
N31 C31 . 1.327(5) ?
N31 C33 . 1.340(6) ?
N31 C32 . 1.382(6) ?
N41 C41 . 1.269(6) ?
N41 C43 . 1.308(8) ?
N41 C42 . 1.360(10) ?
C11 O11 . 1.180(6) ?
C11 H11A . 0.9300 ?
C12 H12A . 0.9600 ?
C12 H12B . 0.9600 ?
C12 H12C . 0.9600 ?
C13 H13A . 0.9600 ?
C13 H13B . 0.9600 ?
C13 H13C . 0.9600 ?
C21 O21 . 1.276(6) ?
C21 H21A . 0.9300 ?
C22 H22A . 0.9600 ?
C22 H22B . 0.9600 ?
C22 H22C . 0.9600 ?
C23 H23A . 0.9600 ?
C23 H23B . 0.9600 ?
C23 H23C . 0.9600 ?
C31 O31 . 1.200(5) ?
C31 H31A . 0.9300 ?
C32 H32A . 0.9600 ?
C32 H32B . 0.9600 ?
C32 H32C . 0.9600 ?
C33 H33A . 0.9600 ?
C33 H33B . 0.9600 ?
C33 H33C . 0.9600 ?
C41 O41 . 1.116(5) ?
C41 H41A . 0.9800 ?
C42 H42A . 0.9600 ?
C42 H42B . 0.9600 ?
C42 H42C . 0.9600 ?
C43 H43A . 0.9600 ?
C43 H43B . 0.9600 ?
C43 H43C . 0.9600 ?
