#------------------------------------------------------------------------------
#$Date: 2017-07-11 15:10:40 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/50/25/4502580.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_4502580
loop_
_publ_author_name
'Hu, Sheng'
'Meng, Zhao-Sha'
'Tong, Ming-Liang'
_publ_section_title
;
 Structure and Topology Versatility of Metal−Organic Frameworks
 Based on Tetradentate Ligands Isolated from Hydrothermal Metal/Ligand
 Reactions
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1742
_journal_paper_doi               10.1021/cg901403b
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C66 H72 Cd4 Cl2 N11 O24.5'
_chemical_formula_weight         1931.85
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.9319(6)
_cell_length_b                   14.3167(9)
_cell_length_c                   21.4476(6)
_cell_measurement_temperature    123(2)
_cell_volume                     8576.7(6)
_computing_cell_refinement       'SAINT-PLUS, Ver. 6.0, 1997'
_computing_data_collection       'SMART, 1998.'
_computing_data_reduction        'SAINT-PLUS, Ver. 6.0, 1997'
_computing_molecular_graphics    'XP, Ver. 6.10, Bruker AXS Inc., 2000'
_computing_publication_material  'SHELXTL-Bruker AXS Inc., 1998'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0641
_diffrn_reflns_av_sigmaI/netI    0.0588
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            33269
_diffrn_reflns_theta_full        62.44
_diffrn_reflns_theta_max         62.44
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    9.039
_exptl_absorpt_correction_T_max  0.5703
_exptl_absorpt_correction_T_min  0.3087
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3868
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.587
_refine_diff_density_min         -0.535
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         3569
_refine_ls_number_restraints     69
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0578
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
calc w=1/[σ²(Fo²)+(0.1123P)²+0.0000P] where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1638
_refine_ls_wR_factor_ref         0.1792
_reflns_number_gt                2008
_reflns_number_total             3569
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg901403b_si_002.cif
_cod_data_source_block           complex3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'ORTHORHOMBIC' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'contr' was replaced with the
value 'constr' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      Cmcm
_cod_original_formula_sum        'C66 H72 Cd4 Cl2 N11 O24.50'
_cod_database_code               4502580
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, -z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z-1/2'
'-x, y, z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'-x+1/2, y+1/2, z'
'x+1/2, -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_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
Cd1 Cd 0.0000 0.33536(8) 0.33405(4) 0.0671(4) Uani 1 2 d S . .
Cd2 Cd 0.05959(2) 0.56474(7) 0.2500 0.0573(3) Uani 1 2 d S . .
O1 O 0.0000 0.5052(4) 0.3324(2) 0.0782(15) Uani 0.50 2 d SP . 1
H1O H 0.0000 0.5377 0.3737 0.094 Uiso 0.50 2 d SPR . 1
Cl1 Cl 0.0000 0.5052(4) 0.3324(2) 0.0782(15) Uani 0.50 2 d SP . 2
Cl2 Cl 0.0000 0.7120(3) 0.2500 0.0598(11) Uani 1 4 d S . .
O2 O 0.0535(3) 0.3235(6) 0.2500 0.061(2) Uani 1 2 d S . .
O3 O 0.1084(3) 0.4375(7) 0.2500 0.062(2) Uani 1 2 d S . .
O1W O 0.0000 0.1692(8) 0.3205(6) 0.109(4) Uani 1 2 d SU . .
N1 N 0.1090(2) 0.6274(6) 0.1738(3) 0.062(2) Uani 1 1 d . . .
N2 N 0.4325(2) 0.8235(6) 0.1046(3) 0.061(2) Uani 1 1 d . . .
C1 C 0.1357(3) 0.2840(8) 0.2500 0.057(3) Uani 1 2 d SD . .
C2 C 0.1240(4) 0.1900(10) 0.2500 0.114(6) Uani 1 2 d SDU . .
H2 H 0.0913 0.1717 0.2500 0.137 Uiso 1 2 calc SR . .
C3 C 0.1600(5) 0.1213(10) 0.2500 0.140(8) Uani 1 2 d SDU . .
H3 H 0.1519 0.0569 0.2500 0.168 Uiso 1 2 calc SR . .
C4 C 0.2076(5) 0.1490(11) 0.2500 0.152(9) Uani 1 2 d SDU . .
H4 H 0.2323 0.1033 0.2500 0.182 Uiso 1 2 calc SR . .
C5 C 0.2195(4) 0.2452(11) 0.2500 0.098(6) Uani 1 2 d SD . .
H5 H 0.2521 0.2642 0.2500 0.118 Uiso 1 2 calc SR . .
C6 C 0.1830(4) 0.3119(8) 0.2500 0.074(4) Uani 1 2 d SD . .
H6 H 0.1907 0.3765 0.2500 0.089 Uiso 1 2 calc SR . .
C7 C 0.0972(4) 0.3553(12) 0.2500 0.057(4) Uani 1 2 d S . .
C8 C 0.2071(3) 0.7484(8) 0.0411(4) 0.068(3) Uani 1 1 d D . .
H8 H 0.1949 0.8129 0.0329 0.082 Uiso 0.50 1 calc PR A 1
O4 O 0.1899(10) 0.8371(15) 0.0249(14) 0.223(13) Uani 0.50 1 d PDU B 2
H4O H 0.2131 0.8725 0.0167 0.335 Uiso 0.50 1 calc PR B 2
C9 C 0.2575(3) 0.7597(8) 0.0676(4) 0.066(3) Uani 1 1 d . B .
H9A H 0.2561 0.8002 0.1049 0.079 Uiso 1 1 calc R . .
H9B H 0.2695 0.6977 0.0809 0.079 Uiso 1 1 calc R . .
C10 C 0.2925(3) 0.8015(8) 0.0211(4) 0.068(3) Uani 1 1 d D . .
H10 H 0.2814 0.8667 0.0127 0.082 Uiso 0.50 1 calc PR B 1
O4' O 0.2770(6) 0.8988(12) 0.0078(10) 0.143(7) Uani 0.50 1 d PDU B 2
H4O' H 0.2470 0.9020 0.0096 0.214 Uiso 0.50 1 calc PR B 2
C11 C 0.1734(3) 0.7054(7) 0.0881(4) 0.061(3) Uani 1 1 d . . .
C12 C 0.1847(3) 0.6268(8) 0.1198(4) 0.069(3) Uani 1 1 d . . .
H12 H 0.2149 0.5977 0.1138 0.083 Uiso 1 1 calc R B .
C13 C 0.1518(3) 0.5890(8) 0.1613(5) 0.073(3) Uani 1 1 d . . .
H13 H 0.1601 0.5327 0.1821 0.088 Uiso 1 1 calc R . .
C14 C 0.0970(3) 0.6993(9) 0.1412(5) 0.085(3) Uani 1 1 d . . .
H14 H 0.0655 0.7233 0.1462 0.102 Uiso 1 1 calc R . .
C15 C 0.1283(4) 0.7454(9) 0.0979(5) 0.088(3) Uani 1 1 d . . .
H15 H 0.1188 0.8007 0.0768 0.106 Uiso 1 1 calc R . .
C16 C 0.3418(3) 0.8096(8) 0.0501(4) 0.068(3) Uani 1 1 d . B .
C17 C 0.3638(3) 0.8959(7) 0.0600(4) 0.068(3) Uani 1 1 d . . .
H17 H 0.3477 0.9518 0.0484 0.082 Uiso 1 1 calc R B .
C18 C 0.4084(3) 0.9006(7) 0.0866(4) 0.065(3) Uani 1 1 d . B .
H18 H 0.4228 0.9601 0.0924 0.078 Uiso 1 1 calc R . .
C19 C 0.4115(4) 0.7441(8) 0.0955(5) 0.084(3) Uani 1 1 d . B .
H19 H 0.4280 0.6895 0.1085 0.100 Uiso 1 1 calc R . .
C20 C 0.3670(4) 0.7321(8) 0.0683(5) 0.083(3) Uani 1 1 d . . .
H20 H 0.3542 0.6713 0.0624 0.099 Uiso 1 1 calc R B .
N3 N -0.2004(8) 0.989(2) 0.0977(11) 0.171(11) Uiso 0.50 1 d PD . .
O5 O -0.2244(10) 1.015(3) 0.0586(12) 0.262(9) Uiso 0.50 1 d PD . .
O6 O -0.1553(8) 0.988(3) 0.0881(13) 0.262(9) Uiso 0.50 1 d PD . .
O7 O -0.2130(11) 0.956(2) 0.1477(12) 0.262(9) Uiso 0.50 1 d PD . .
N4 N 0.0000 0.598(2) 0.4593(13) 0.236(10) Uiso 0.50 2 d SPD . .
O8 O 0.0000 0.643(2) 0.4126(14) 0.236(10) Uiso 0.50 2 d SPD . .
O9 O 0.0000 0.5167(19) 0.4577(16) 0.236(10) Uiso 0.50 2 d SPD . .
O10 O 0.0000 0.639(2) 0.5083(14) 0.236(10) Uiso 0.50 2 d SPD . .
O2W O 0.0000 0.782(3) 0.4713(19) 0.175(16) Uiso 0.50 2 d SP . .
O2W' O 0.0000 0.835(4) 0.461(3) 0.25(3) Uiso 0.50 2 d SP . .
O3W O -0.1667(14) 0.874(3) 0.2500 0.184(14) Uiso 0.50 2 d SP . .
O4W O -0.0783(14) 0.899(2) 0.2500 0.179(13) Uiso 0.50 2 d SP . .
O5W O 0.0000 0.860(6) 0.383(4) 0.20(3) Uiso 0.25 2 d SP . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd 0.1185 4.6533 '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
N2 Cd1 N2 109.7(3) 8_545 14_446
N2 Cd1 O2 162.5(3) 8_545 11
N2 Cd1 O2 85.0(2) 14_446 11
N2 Cd1 O2 85.0(2) 8_545 .
N2 Cd1 O2 162.5(3) 14_446 .
O2 Cd1 O2 79.1(3) 11 .
N2 Cd1 O1W 89.8(3) 8_545 .
N2 Cd1 O1W 89.8(3) 14_446 .
O2 Cd1 O1W 80.5(3) 11 .
O2 Cd1 O1W 80.5(3) . .
N2 Cd1 O1 94.7(2) 8_545 .
N2 Cd1 O1 94.7(2) 14_446 .
O2 Cd1 O1 93.5(2) 11 .
O2 Cd1 O1 93.5(2) . .
O1W Cd1 O1 172.2(3) . .
O3 Cd2 N1 87.3(3) . 10_556
O3 Cd2 N1 87.3(3) . .
N1 Cd2 N1 89.6(4) 10_556 .
O3 Cd2 Cl1 97.0(2) . 10_556
N1 Cd2 Cl1 175.5(2) 10_556 10_556
N1 Cd2 Cl1 91.7(2) . 10_556
O3 Cd2 O1 97.0(2) . 10_556
N1 Cd2 O1 175.5(2) 10_556 10_556
N1 Cd2 O1 91.7(2) . 10_556
O3 Cd2 O1 97.0(2) . .
N1 Cd2 O1 91.7(2) 10_556 .
N1 Cd2 O1 175.5(2) . .
Cl1 Cd2 O1 86.8(2) 10_556 .
O1 Cd2 O1 86.8(2) 10_556 .
O3 Cd2 Cl2 178.5(2) . .
N1 Cd2 Cl2 93.7(2) 10_556 .
N1 Cd2 Cl2 93.7(2) . .
Cl1 Cd2 Cl2 81.90(12) 10_556 .
O1 Cd2 Cl2 81.90(12) 10_556 .
O1 Cd2 Cl2 81.90(12) . .
O3 Cd2 Cd2 126.8(2) . 11
N1 Cd2 Cd2 126.52(18) 10_556 11
N1 Cd2 Cd2 126.52(18) . 11
Cl1 Cd2 Cd2 49.69(8) 10_556 11
O1 Cd2 Cd2 49.69(8) 10_556 11
O1 Cd2 Cd2 49.69(8) . 11
Cl2 Cd2 Cd2 51.70(7) . 11
Cd1 O1 Cd2 109.95(18) . .
Cd1 O1 Cd2 109.95(18) . 11
Cd2 O1 Cd2 80.61(15) . 11
Cd1 O1 H1O 116.9 . .
Cd2 O1 H1O 117.0 . .
Cd2 O1 H1O 117.0 11 .
Cd2 Cl2 Cd2 76.59(13) . 11
C7 O2 Cd1 124.8(4) . .
C7 O2 Cd1 124.8(4) . 10_556
Cd1 O2 Cd1 100.3(3) . 10_556
C7 O3 Cd2 128.4(8) . .
C14 N1 C13 116.8(8) . .
C14 N1 Cd2 122.4(6) . .
C13 N1 Cd2 120.8(7) . .
C19 N2 C18 116.7(8) . .
C19 N2 Cd1 121.4(7) . 14_556
C18 N2 Cd1 120.7(6) . 14_556
C6 C1 C2 120.4(8) . .
C6 C1 C7 119.7(10) . .
C2 C1 C7 119.9(11) . .
C1 C2 C3 120.7(8) . .
C1 C2 H2 119.7 . .
C3 C2 H2 119.7 . .
C4 C3 C2 119.1(8) . .
C4 C3 H3 120.5 . .
C2 C3 H3 120.5 . .
C3 C4 C5 120.1(8) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C6 C5 C4 119.6(8) . .
C6 C5 H5 120.2 . .
C4 C5 H5 120.2 . .
C1 C6 C5 120.1(8) . .
C1 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
O3 C7 O2 125.3(12) . .
O3 C7 C1 118.7(11) . .
O2 C7 C1 116.0(13) . .
O4 C8 C11 108.7(14) . .
O4 C8 C10 102.2(15) . 13_565
C11 C8 C10 113.5(8) . 13_565
O4 C8 C9 108.3(15) . .
C11 C8 C9 111.8(7) . .
C10 C8 C9 111.8(8) 13_565 .
O4 C8 H8 4.2 . .
C11 C8 H8 106.4 . .
C10 C8 H8 106.4 13_565 .
C9 C8 H8 106.4 . .
C8 O4 H4O 109.5 . .
C10 C9 C8 113.0(7) . .
C10 C9 H9A 109.0 . .
C8 C9 H9A 109.0 . .
C10 C9 H9B 109.0 . .
C8 C9 H9B 109.0 . .
H9A C9 H9B 107.8 . .
O4' C10 C8 106.0(11) . 13_565
O4' C10 C16 105.8(11) . .
C8 C10 C16 113.1(8) 13_565 .
O4' C10 C9 107.9(11) . .
C8 C10 C9 113.4(8) 13_565 .
C16 C10 C9 110.1(7) . .
C8 C10 H10 106.6 13_565 .
C16 C10 H10 106.6 . .
C9 C10 H10 106.6 . .
C10 O4' H4O' 109.5 . .
C12 C11 C15 118.3(9) . .
C12 C11 C8 122.0(8) . .
C15 C11 C8 119.7(9) . .
C11 C12 C13 119.6(9) . .
C11 C12 H12 120.2 . .
C13 C12 H12 120.2 . .
N1 C13 C12 123.8(10) . .
N1 C13 H13 118.1 . .
C12 C13 H13 118.1 . .
N1 C14 C15 124.1(9) . .
N1 C14 H14 118.0 . .
C15 C14 H14 118.0 . .
C11 C15 C14 117.2(10) . .
C11 C15 H15 121.4 . .
C14 C15 H15 121.4 . .
C20 C16 C17 116.6(8) . .
C20 C16 C10 121.4(10) . .
C17 C16 C10 122.0(10) . .
C18 C17 C16 120.4(10) . .
C18 C17 H17 119.8 . .
C16 C17 H17 119.8 . .
N2 C18 C17 122.1(9) . .
N2 C18 H18 118.9 . .
C17 C18 H18 118.9 . .
N2 C19 C20 125.5(10) . .
N2 C19 H19 117.3 . .
C20 C19 H19 117.3 . .
C16 C20 C19 118.7(10) . .
C16 C20 H20 120.6 . .
C19 C20 H20 120.6 . .
O5 N3 O7 127.1(18) . .
O5 N3 O6 118.0(17) . .
O7 N3 O6 114.8(16) . .
O9 N4 O8 120.8(18) . .
O9 N4 O10 120.8(18) . .
O8 N4 O10 118.4(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N2 2.306(6) 8_545
Cd1 N2 2.306(6) 14_446
Cd1 O2 2.348(5) 11
Cd1 O2 2.348(5) .
Cd1 O1W 2.397(12) .
Cd1 O1 2.432(6) .
Cd2 O3 2.274(9) .
Cd2 N1 2.319(7) 10_556
Cd2 N1 2.319(7) .
Cd2 Cl1 2.573(4) 10_556
Cd2 O1 2.573(4) 10_556
Cd2 O1 2.573(4) .
Cd2 Cl2 2.686(4) .
Cd2 Cd2 3.3291(14) 11
O1 Cd2 2.573(4) 11
O1 H1O 0.9999 .
Cl2 Cd2 2.686(4) 11
O2 C7 1.302(15) .
O2 Cd1 2.348(5) 10_556
O3 C7 1.217(16) .
N1 C14 1.288(13) .
N1 C13 1.343(11) .
N2 C19 1.294(12) .
N2 C18 1.350(11) .
N2 Cd1 2.306(6) 14_556
C1 C6 1.380(12) .
C1 C2 1.385(14) .
C1 C7 1.482(16) .
C2 C3 1.407(14) .
C2 H2 0.9500 .
C3 C4 1.387(14) .
C3 H3 0.9500 .
C4 C5 1.416(14) .
C4 H4 0.9500 .
C5 C6 1.397(13) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C8 O4 1.402(17) .
C8 C11 1.510(12) .
C8 C10 1.513(13) 13_565
C8 C9 1.526(12) .
C8 H8 1.0000 .
O4 H4O 0.8400 .
C9 C10 1.520(12) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 O4' 1.486(15) .
C10 C8 1.513(13) 13_565
C10 C16 1.516(12) .
C10 H10 1.0000 .
O4' H4O' 0.8400 .
C11 C12 1.352(13) .
C11 C15 1.400(13) .
C12 C13 1.388(12) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C15 1.436(13) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C20 1.371(14) .
C16 C17 1.396(13) .
C17 C18 1.372(12) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.382(13) .
C19 H19 0.9500 .
C20 H20 0.9500 .
N3 O5 1.137(19) .
N3 O7 1.224(18) .
N3 O6 1.275(19) .
N4 O9 1.17(2) .
N4 O8 1.19(2) .
N4 O10 1.20(2) .
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
O1 H1O O8 1.00 1.72 2.62(4) 146.8
O1 H1O O9 1.00 1.83 2.69(3) 142.7
