#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/95/2019509.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_2019509
loop_
_publ_author_name
'Cui, Guo-Gen'
'Yang, Xiao-Xi'
'Yang, Jian-Ping'
_publ_section_title
;
 A twofold interpenetrating three-dimensional zinc--organic framework
 built from naphthalene-1,4-dicarboxylate and 4,4'-bipyridine ligands
;
_journal_coeditor_code           SK3543
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              498
_journal_page_last               501
_journal_paper_doi               10.1107/S2053229614008407
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac
'[Zn2 (C12 H6 O4)2 (C10 H8 N2)] , C3 H7 N O, H2 O'
_chemical_formula_moiety         'C34 H20 N2 O8 Zn2, C3 H7 N O, H2 O'
_chemical_formula_sum            'C37 H29 N3 O10 Zn2'
_chemical_formula_weight         806.37
_chemical_name_systematic
;Poly[[(μ₂-4,4'-bipyridine)(μ₄-naphthalene-1,4-dicarboxylato)(μ₂-naphthalene-1,4-dicarboxylato)dizinc(II)] dimethylformamide monosolvate
monohydrate]
;
_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           SHELXL97
_cell_angle_alpha                94.60(3)
_cell_angle_beta                 93.75(3)
_cell_angle_gamma                99.87(3)
_cell_formula_units_Z            2
_cell_length_a                   10.239(2)
_cell_length_b                   12.191(2)
_cell_length_c                   13.910(3)
_cell_measurement_reflns_used    2895
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.89
_cell_measurement_theta_min      2.35
_cell_volume                     1699.5(6)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD area-detector'
_diffrn_measurement_method       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  0.0507
_diffrn_reflns_av_sigmaI/netI    0.0695
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13552
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         3.08
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.477
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.661
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(REQAB; Jacobson, 1998)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.789
_refine_diff_density_min         -0.973
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         6120
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0792
_refine_ls_R_factor_gt           0.0566
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0500P)²+2.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1259
_refine_ls_wR_factor_ref         0.1375
_reflns_number_gt                4067
_reflns_number_total             6120
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sk3543sup1.cf
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2019509.cif.'
_cod_database_code               2019509
_cod_database_fobs_code          2019509
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_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_symmetry_multiplicity
Zn Zn1 0.27797(5) -0.01907(5) 0.77177(4) 0.04007(18) Uani d . 1 1
Zn Zn2 0.23890(5) 0.80378(5) 0.53952(4) 0.04046(18) Uani d . 1 1
O O1 0.3246(4) 0.1214(3) 0.7161(3) 0.0716(12) Uani d . 1 1
O O2 0.1766(4) 0.1518(4) 0.8159(3) 0.0741(12) Uani d . 1 1
O O3 0.3945(5) 0.6463(4) 0.5476(3) 0.0756(12) Uani d . 1 1
O O4 0.2073(4) 0.6723(3) 0.6071(3) 0.0638(10) Uani d . 1 1
O O5 0.4087(3) 0.9020(3) 0.5839(2) 0.0442(8) Uani d . 1 1
O O6 0.4305(3) 0.9066(3) 0.7441(2) 0.0492(9) Uani d . 1 1
O O7 1.0766(3) 0.8666(3) 0.5628(2) 0.0507(9) Uani d . 1 1
O O8 1.1046(3) 0.8958(3) 0.7231(2) 0.0538(9) Uani d . 1 1
O O9 0.2308(6) 0.5872(5) 0.1504(4) 0.1129(19) Uani d . 1 1
N N1 0.2349(4) 0.8087(3) 0.3960(3) 0.0415(9) Uani d . 1 1
N N2 0.2778(4) 0.9507(4) -0.0854(3) 0.0462(10) Uani d . 1 1
N N3 0.2006(6) 0.5212(5) 0.2972(5) 0.0840(17) Uani d . 1 1
C C1 0.2931(5) 0.5111(4) 0.6470(4) 0.0491(12) Uani d . 1 1
C C2 0.3285(6) 0.4216(5) 0.5961(4) 0.0575(14) Uani d . 1 1
H H2 0.3617 0.4298 0.5360 0.069 Uiso calc R 1 1
C C3 0.3149(5) 0.3176(5) 0.6340(4) 0.0577(14) Uani d . 1 1
H H3 0.3390 0.2577 0.5979 0.069 Uiso calc R 1 1
C C4 0.2672(5) 0.3010(4) 0.7226(4) 0.0476(12) Uani d . 1 1
C C5 0.1911(6) 0.3867(5) 0.8744(4) 0.0637(16) Uani d . 1 1
H H5 0.1807 0.3183 0.9008 0.076 Uiso calc R 1 1
C C6 0.1650(7) 0.4782(6) 0.9269(5) 0.0781(19) Uani d . 1 1
H H6 0.1366 0.4711 0.9886 0.094 Uiso calc R 1 1
C C7 0.1797(7) 0.5826(6) 0.8904(4) 0.0765(19) Uani d . 1 1
H H7 0.1622 0.6443 0.9279 0.092 Uiso calc R 1 1
C C8 0.2202(6) 0.5938(5) 0.7988(4) 0.0625(15) Uani d . 1 1
H H8 0.2296 0.6634 0.7745 0.075 Uiso calc R 1 1
C C9 0.2480(5) 0.5002(4) 0.7407(4) 0.0495(12) Uani d . 1 1
C C10 0.2343(5) 0.3942(4) 0.7792(4) 0.0485(12) Uani d . 1 1
C C11 0.2556(5) 0.1869(5) 0.7554(4) 0.0548(14) Uani d . 1 1
C C12 0.3035(6) 0.6181(5) 0.5974(4) 0.0550(14) Uani d . 1 1
C C13 0.6132(4) 0.8711(4) 0.6570(3) 0.0379(10) Uani d . 1 1
C C14 0.6790(4) 0.9049(4) 0.5793(3) 0.0410(11) Uani d . 1 1
H H14 0.6336 0.9316 0.5287 0.049 Uiso calc R 1 1
C C15 0.8146(4) 0.8999(4) 0.5749(3) 0.0418(11) Uani d . 1 1
H H15 0.8570 0.9213 0.5205 0.050 Uiso calc R 1 1
C C16 0.8849(4) 0.8640(4) 0.6493(3) 0.0388(11) Uani d . 1 1
C C17 0.8825(5) 0.7709(5) 0.8035(4) 0.0544(14) Uani d . 1 1
H H17 0.9730 0.7697 0.8026 0.065 Uiso calc R 1 1
C C18 0.8149(6) 0.7251(5) 0.8759(4) 0.0653(17) Uani d . 1 1
H H18 0.8597 0.6950 0.9248 0.078 Uiso calc R 1 1
C C19 0.6781(6) 0.7235(5) 0.8766(4) 0.0658(17) Uani d . 1 1
H H19 0.6321 0.6909 0.9255 0.079 Uiso calc R 1 1
C C20 0.6120(5) 0.7688(5) 0.8069(4) 0.0533(14) Uani d . 1 1
H H20 0.5207 0.7657 0.8083 0.064 Uiso calc R 1 1
C C21 0.6788(4) 0.8210(4) 0.7316(3) 0.0390(11) Uani d . 1 1
C C22 0.8180(4) 0.8200(4) 0.7296(3) 0.0409(11) Uani d . 1 1
C C23 0.4733(4) 0.8940(4) 0.6621(3) 0.0398(11) Uani d . 1 1
C C24 1.0329(4) 0.8751(4) 0.6451(4) 0.0414(11) Uani d . 1 1
C C25 0.3484(5) 0.8117(4) 0.3520(3) 0.0449(12) Uani d . 1 1
H H25 0.4233 0.7976 0.3871 0.054 Uiso calc R 1 1
C C26 0.3586(5) 0.8346(4) 0.2576(3) 0.0455(12) Uani d . 1 1
H H26 0.4387 0.8345 0.2296 0.055 Uiso calc R 1 1
C C27 0.2496(5) 0.8579(4) 0.2039(3) 0.0436(12) Uani d . 1 1
C C28 0.1317(5) 0.8511(5) 0.2484(4) 0.0527(14) Uani d . 1 1
H H28 0.0551 0.8632 0.2143 0.063 Uiso calc R 1 1
C C29 0.1280(5) 0.8266(5) 0.3428(3) 0.0490(13) Uani d . 1 1
H H29 0.0478 0.8223 0.3712 0.059 Uiso calc R 1 1
C C30 0.2592(5) 0.8891(4) 0.1039(3) 0.0457(12) Uani d . 1 1
C C31 0.3497(6) 0.8527(6) 0.0447(4) 0.0673(17) Uani d . 1 1
H H31 0.4064 0.8068 0.0674 0.081 Uiso calc R 1 1
C C32 0.3554(6) 0.8846(6) -0.0478(4) 0.0657(17) Uani d . 1 1
H H32 0.4167 0.8588 -0.0863 0.079 Uiso calc R 1 1
C C33 0.1944(6) 0.9885(6) -0.0272(4) 0.0688(18) Uani d . 1 1
H H33 0.1424 1.0378 -0.0501 0.083 Uiso calc R 1 1
C C34 0.1812(6) 0.9579(6) 0.0658(4) 0.0712(19) Uani d . 1 1
H H34 0.1188 0.9845 0.1028 0.085 Uiso calc R 1 1
C C35 0.1615(8) 0.5598(7) 0.2156(6) 0.089(2) Uani d . 1 1
H H35 0.0725 0.5666 0.2072 0.107 Uiso calc R 1 1
C C36 0.3378(7) 0.5079(7) 0.3178(6) 0.104(3) Uani d . 1 1
H H36A 0.3901 0.5362 0.2674 0.156 Uiso calc R 1 1
H H36B 0.3415 0.4301 0.3209 0.156 Uiso calc R 1 1
H H36C 0.3725 0.5487 0.3786 0.156 Uiso calc R 1 1
C C37 0.1080(8) 0.4880(8) 0.3692(6) 0.114(3) Uani d . 1 1
H H37A 0.0224 0.5049 0.3498 0.172 Uiso calc R 1 1
H H37B 0.1404 0.5282 0.4307 0.172 Uiso calc R 1 1
H H37C 0.1001 0.4092 0.3744 0.172 Uiso calc R 1 1
O O1W 0.4748(8) 0.6107(10) 0.0698(9) 0.198(4) Uani d D 1 1
H H2W 0.526(11) 0.567(11) 0.081(13) 0.297 Uiso d D 1 1
H H1W 0.404(9) 0.599(13) 0.096(12) 0.297 Uiso d D 1 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'
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'
Zn Zn 0.2839 1.4301 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 Zn1 O8 . 1_445 114.07(17)
O1 Zn1 O6 . 1_545 102.14(15)
O8 Zn1 O6 1_445 1_545 114.99(16)
O1 Zn1 N2 . 1_546 129.03(19)
O8 Zn1 N2 1_445 1_546 100.04(16)
O6 Zn1 N2 1_545 1_546 95.75(14)
O4 Zn2 O5 . . 112.88(16)
O4 Zn2 O7 . 1_455 100.76(15)
O5 Zn2 O7 . 1_455 115.86(15)
O4 Zn2 N1 . . 126.33(17)
O5 Zn2 N1 . . 102.10(15)
O7 Zn2 N1 1_455 . 98.80(15)
C11 O1 Zn1 . . 105.9(4)
C12 O4 Zn2 . . 109.5(3)
C23 O5 Zn2 . . 123.1(3)
C23 O6 Zn1 . 1_565 124.6(3)
C24 O7 Zn2 . 1_655 122.6(3)
C24 O8 Zn1 . 1_665 138.7(3)
C29 N1 C25 . . 117.1(4)
C29 N1 Zn2 . . 122.6(3)
C25 N1 Zn2 . . 119.5(3)
C33 N2 C32 . . 116.3(4)
C33 N2 Zn1 . 1_564 122.2(4)
C32 N2 Zn1 . 1_564 121.3(3)
C35 N3 C36 . . 121.2(7)
C35 N3 C37 . . 121.7(7)
C36 N3 C37 . . 117.0(7)
C2 C1 C9 . . 120.0(5)
C2 C1 C12 . . 116.5(5)
C9 C1 C12 . . 123.6(5)
C1 C2 C3 . . 120.4(5)
C1 C2 H2 . . 119.8
C3 C2 H2 . . 119.8
C4 C3 C2 . . 122.2(5)
C4 C3 H3 . . 118.9
C2 C3 H3 . . 118.9
C3 C4 C10 . . 118.7(5)
C3 C4 C11 . . 117.7(5)
C10 C4 C11 . . 123.5(5)
C6 C5 C10 . . 120.9(6)
C6 C5 H5 . . 119.6
C10 C5 H5 . . 119.6
C5 C6 C7 . . 121.6(6)
C5 C6 H6 . . 119.2
C7 C6 H6 . . 119.2
C8 C7 C6 . . 119.7(6)
C8 C7 H7 . . 120.2
C6 C7 H7 . . 120.2
C7 C8 C9 . . 120.8(6)
C7 C8 H8 . . 119.6
C9 C8 H8 . . 119.6
C1 C9 C8 . . 121.4(5)
C1 C9 C10 . . 119.5(5)
C8 C9 C10 . . 119.0(5)
C9 C10 C5 . . 118.0(5)
C9 C10 C4 . . 119.1(5)
C5 C10 C4 . . 122.8(5)
O2 C11 O1 . . 119.4(5)
O2 C11 C4 . . 123.0(5)
O1 C11 C4 . . 117.6(5)
O3 C12 O4 . . 122.9(5)
O3 C12 C1 . . 121.0(5)
O4 C12 C1 . . 115.9(5)
C14 C13 C21 . . 120.2(4)
C14 C13 C23 . . 117.1(4)
C21 C13 C23 . . 122.7(4)
C13 C14 C15 . . 120.8(4)
C13 C14 H14 . . 119.6
C15 C14 H14 . . 119.6
C16 C15 C14 . . 120.9(4)
C16 C15 H15 . . 119.6
C14 C15 H15 . . 119.6
C15 C16 C22 . . 120.2(4)
C15 C16 C24 . . 117.7(4)
C22 C16 C24 . . 122.1(4)
C18 C17 C22 . . 121.4(5)
C18 C17 H17 . . 119.3
C22 C17 H17 . . 119.3
C17 C18 C19 . . 119.9(5)
C17 C18 H18 . . 120.0
C19 C18 H18 . . 120.0
C20 C19 C18 . . 120.8(5)
C20 C19 H19 . . 119.6
C18 C19 H19 . . 119.6
C19 C20 C21 . . 121.5(5)
C19 C20 H20 . . 119.2
C21 C20 H20 . . 119.2
C20 C21 C22 . . 117.6(4)
C20 C21 C13 . . 123.4(4)
C22 C21 C13 . . 118.9(4)
C17 C22 C21 . . 118.8(4)
C17 C22 C16 . . 122.8(4)
C21 C22 C16 . . 118.3(4)
O5 C23 O6 . . 124.3(4)
O5 C23 C13 . . 117.6(4)
O6 C23 C13 . . 118.1(4)
O8 C24 O7 . . 124.4(4)
O8 C24 C16 . . 118.0(4)
O7 C24 C16 . . 117.6(4)
N1 C25 C26 . . 122.9(4)
N1 C25 H25 . . 118.6
C26 C25 H25 . . 118.6
C25 C26 C27 . . 119.9(4)
C25 C26 H26 . . 120.0
C27 C26 H26 . . 120.0
C26 C27 C28 . . 117.0(4)
C26 C27 C30 . . 121.3(4)
C28 C27 C30 . . 121.7(4)
C29 C28 C27 . . 120.0(5)
C29 C28 H28 . . 120.0
C27 C28 H28 . . 120.0
N1 C29 C28 . . 122.9(4)
N1 C29 H29 . . 118.5
C28 C29 H29 . . 118.5
C34 C30 C31 . . 116.5(5)
C34 C30 C27 . . 121.5(4)
C31 C30 C27 . . 121.9(5)
C32 C31 C30 . . 119.7(5)
C32 C31 H31 . . 120.1
C30 C31 H31 . . 120.1
N2 C32 C31 . . 123.7(5)
N2 C32 H32 . . 118.2
C31 C32 H32 . . 118.2
N2 C33 C34 . . 123.1(5)
N2 C33 H33 . . 118.4
C34 C33 H33 . . 118.4
C30 C34 C33 . . 120.6(5)
C30 C34 H34 . . 119.7
C33 C34 H34 . . 119.7
O9 C35 N3 . . 126.5(8)
O9 C35 H35 . . 116.8
N3 C35 H35 . . 116.8
N3 C36 H36A . . 109.5
N3 C36 H36B . . 109.5
H36A C36 H36B . . 109.5
N3 C36 H36C . . 109.5
H36A C36 H36C . . 109.5
H36B C36 H36C . . 109.5
N3 C37 H37A . . 109.5
N3 C37 H37B . . 109.5
H37A C37 H37B . . 109.5
N3 C37 H37C . . 109.5
H37A C37 H37C . . 109.5
H37B C37 H37C . . 109.5
H2W O1W H1W . . 115(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Zn1 O1 . 1.934(4)
Zn1 O8 1_445 1.945(3)
Zn1 O6 1_545 1.979(3)
Zn1 N2 1_546 2.050(4)
Zn2 O4 . 1.913(4)
Zn2 O5 . 1.966(3)
Zn2 O7 1_455 1.980(3)
Zn2 N1 . 2.000(4)
O1 C11 . 1.269(6)
O2 C11 . 1.255(6)
O3 C12 . 1.216(6)
O4 C12 . 1.285(6)
O5 C23 . 1.255(5)
O6 C23 . 1.256(5)
O6 Zn1 1_565 1.979(3)
O7 C24 . 1.258(5)
O7 Zn2 1_655 1.980(3)
O8 C24 . 1.253(6)
O8 Zn1 1_665 1.945(3)
O9 C35 . 1.220(9)
N1 C29 . 1.340(6)
N1 C25 . 1.346(6)
N2 C33 . 1.326(6)
N2 C32 . 1.337(6)
N2 Zn1 1_564 2.050(4)
N3 C35 . 1.328(9)
N3 C36 . 1.454(8)
N3 C37 . 1.456(9)
C1 C2 . 1.367(7)
C1 C9 . 1.420(7)
C1 C12 . 1.514(7)
C2 C3 . 1.401(7)
C2 H2 . 0.9300
C3 C4 . 1.372(7)
C3 H3 . 0.9300
C4 C10 . 1.430(7)
C4 C11 . 1.486(7)
C5 C6 . 1.359(8)
C5 C10 . 1.427(7)
C5 H5 . 0.9300
C6 C7 . 1.396(9)
C6 H6 . 0.9300
C7 C8 . 1.376(8)
C7 H7 . 0.9300
C8 C9 . 1.425(8)
C8 H8 . 0.9300
C9 C10 . 1.427(7)
C13 C14 . 1.366(6)
C13 C21 . 1.431(6)
C13 C23 . 1.511(6)
C14 C15 . 1.405(6)
C14 H14 . 0.9300
C15 C16 . 1.366(6)
C15 H15 . 0.9300
C16 C22 . 1.439(6)
C16 C24 . 1.504(6)
C17 C18 . 1.360(7)
C17 C22 . 1.414(6)
C17 H17 . 0.9300
C18 C19 . 1.398(7)
C18 H18 . 0.9300
C19 C20 . 1.354(7)
C19 H19 . 0.9300
C20 C21 . 1.422(6)
C20 H20 . 0.9300
C21 C22 . 1.429(6)
C25 C26 . 1.371(6)
C25 H25 . 0.9300
C26 C27 . 1.385(6)
C26 H26 . 0.9300
C27 C28 . 1.385(6)
C27 C30 . 1.476(6)
C28 C29 . 1.371(7)
C28 H28 . 0.9300
C29 H29 . 0.9300
C30 C34 . 1.367(7)
C30 C31 . 1.384(7)
C31 C32 . 1.376(7)
C31 H31 . 0.9300
C32 H32 . 0.9300
C33 C34 . 1.384(7)
C33 H33 . 0.9300
C34 H34 . 0.9300
C35 H35 . 0.9300
C36 H36A . 0.9600
C36 H36B . 0.9600
C36 H36C . 0.9600
C37 H37A . 0.9600
C37 H37B . 0.9600
C37 H37C . 0.9600
O1W H2W . 0.822(10)
O1W H1W . 0.825(10)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1W H1W O9 0.825(10) 1.964(19) 2.784(10) 173(14)
