#------------------------------------------------------------------------------
#$Date: 2017-11-17 10:41:38 +0200 (Fri, 17 Nov 2017) $
#$Revision: 203263 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/80/1548080.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_1548080
loop_
_publ_author_name
'Sebastian D. Pike'
'Edward R. White'
'Milo S. P. Shaffer'
'Charlotte K. Williams'
_publ_section_title
;
 Simple phosphinate ligands access zinc clusters identified in the
 synthesis of zinc oxide nanoparticles
;
_journal_name_full               'Nature Communications'
_journal_page_first              13008
_journal_paper_doi               10.1038/ncomms13008
_journal_volume                  7
_journal_year                    2016
_chemical_absolute_configuration .
_chemical_compound_source        'RCS1 312 Imperial College London'
_chemical_formula_moiety         'C56 H60 O8 P4 Zn4'
_chemical_formula_sum            'C56 H60 O8 P4 Zn4'
_chemical_formula_weight         1246.50
_chemical_melting_point          .
_chemical_name_systematic        Zn4Et4(DPPA)4
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_audit_creation_date             2015-06-15
_audit_creation_method           CRYSTALS_ver_14.61
_cell_angle_alpha                90
_cell_angle_beta                 110.684(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.3886(5)
_cell_length_b                   10.1308(2)
_cell_length_c                   23.8034(5)
_cell_measurement_reflns_used    6282
_cell_measurement_temperature    173
_cell_measurement_theta_max      28
_cell_measurement_theta_min      3
_cell_volume                     5502.2(2)
_computing_cell_refinement       'CrysAlisPro, (Agilent, 2011)'
_computing_data_collection       'SuperNova, (Oxford Diffraction, 2010)'
_computing_data_reduction        'CrysAlisPro, (Agilent, 2011)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      173
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Oxford Diffraction SuperNova'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            15051
_diffrn_reflns_theta_full        25.050
_diffrn_reflns_theta_max         26.369
_diffrn_reflns_theta_min         2.200
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.892
_exptl_absorpt_correction_T_max  0.80
_exptl_absorpt_correction_T_min  0.72
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro, (Agilent, 2011)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2560
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.69
_refine_diff_density_min         -0.47
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9733
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         5419
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.0022074
_refine_ls_shift/su_mean         0.0000445
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[σ²(F²) + ( 0.02P)² +13.98P] 
 ,where P=(max(Fo²,0) + 2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0653
_refine_ls_wR_factor_gt          0.0618
_refine_ls_wR_factor_ref         0.0653
_reflns_limit_h_max              28
_reflns_limit_h_min              -30
_reflns_limit_k_max              12
_reflns_limit_k_min              0
_reflns_limit_l_max              29
_reflns_limit_l_min              0
_reflns_number_gt                4663
_reflns_number_total             5438
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   1.43
_oxford_diffrn_Wilson_scale      0.72
_oxford_refine_ls_r_factor_ref   0.0374
_oxford_refine_ls_scale          1.242(3)
_oxford_reflns_number_all        5419
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_oxford_structure_analysis_title
'xcalibur in W:\Seb Pike\SC X-ra At 16:54 on '
_cod_data_source_file            ncomms13008-s3.cif
_cod_data_source_block           1A
_cod_original_cell_volume        5502.16(12)
_cod_original_sg_symbol_H-M      'C 1 2/c 1 '
_cod_database_code               1548080
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,-z
-x,y,-z+1/2
x,-y,z+1/2
-x+1/2,y+1/2,-z+1/2
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
C1 C 0.61198(11) 1.0024(2) 0.30116(12) 0.0271 1.0000 Uani . . . . . .
C2 C 0.65538(12) 1.0075(3) 0.36619(12) 0.0347 1.0000 Uani . . . . . .
C3 C 0.49498(13) 0.2427(3) 0.36169(13) 0.0362 1.0000 Uani . . . . . .
C4 C 0.5052(2) 0.2731(4) 0.42683(17) 0.0731 1.0000 Uani . . . . . .
C5 C 0.65793(10) 0.4573(2) 0.25045(10) 0.0200 1.0000 Uani . . . . . .
C6 C 0.69335(11) 0.5404(3) 0.23191(12) 0.0288 1.0000 Uani . . . . . .
C7 C 0.72864(12) 0.4893(3) 0.20269(13) 0.0380 1.0000 Uani . . . . . .
C8 C 0.72825(13) 0.3559(3) 0.19125(14) 0.0416 1.0000 Uani . . . . . .
C9 C 0.69244(13) 0.2733(3) 0.20864(14) 0.0415 1.0000 Uani . . . . . .
C10 C 0.65789(12) 0.3228(3) 0.23866(13) 0.0307 1.0000 Uani . . . . . .
C11 C 0.65521(10) 0.4870(2) 0.36920(11) 0.0205 1.0000 Uani . . . . . .
C12 C 0.69538(12) 0.5795(3) 0.40329(12) 0.0336 1.0000 Uani . . . . . .
C13 C 0.72869(12) 0.5526(3) 0.46271(13) 0.0398 1.0000 Uani . . . . . .
C14 C 0.72190(12) 0.4353(3) 0.48820(12) 0.0380 1.0000 Uani . . . . . .
C15 C 0.68198(12) 0.3431(3) 0.45498(12) 0.0340 1.0000 Uani . . . . . .
C16 C 0.64890(11) 0.3681(2) 0.39546(11) 0.0252 1.0000 Uani . . . . . .
C17 C 0.57358(10) 0.7434(2) 0.13086(10) 0.0216 1.0000 Uani . . . . . .
C18 C 0.61022(11) 0.8501(3) 0.15444(11) 0.0275 1.0000 Uani . . . . . .
C19 C 0.66252(12) 0.8631(3) 0.14440(13) 0.0340 1.0000 Uani . . . . . .
C20 C 0.67755(12) 0.7726(3) 0.10904(13) 0.0387 1.0000 Uani . . . . . .
C21 C 0.64110(13) 0.6678(3) 0.08482(14) 0.0405 1.0000 Uani . . . . . .
C22 C 0.58946(12) 0.6524(3) 0.09560(12) 0.0309 1.0000 Uani . . . . . .
C23 C 0.45018(10) 0.7770(2) 0.07271(11) 0.0225 1.0000 Uani . . . . . .
C24 C 0.44985(12) 0.9086(3) 0.05556(12) 0.0315 1.0000 Uani . . . . . .
C25 C 0.41068(13) 0.9510(3) 0.00098(13) 0.0401 1.0000 Uani . . . . . .
C26 C 0.37225(13) 0.8627(3) -0.03671(14) 0.0462 1.0000 Uani . . . . . .
C27 C 0.37203(14) 0.7328(3) -0.02026(14) 0.0497 1.0000 Uani . . . . . .
C28 C 0.41114(12) 0.6894(3) 0.03436(12) 0.0358 1.0000 Uani . . . . . .
O1 O 0.60743(7) 0.66548(16) 0.28240(8) 0.0255 1.0000 Uani . . . . . .
O2 O 0.55877(6) 0.43503(16) 0.27290(7) 0.0188 1.0000 Uani . . . . . .
O3 O 0.50334(7) 0.80731(16) 0.19316(7) 0.0194 1.0000 Uani . . . . . .
O4 O 0.49432(8) 0.57515(16) 0.14695(7) 0.0260 1.0000 Uani . . . . . .
P1 P 0.61426(3) 0.51984(6) 0.29147(3) 0.0176 1.0000 Uani . . . . . .
P2 P 0.50460(3) 0.71938(6) 0.14117(3) 0.0182 1.0000 Uani . . . . . .
Zn1 Zn 0.567503(12) 0.83623(3) 0.278077(12) 0.0188 1.0000 Uani . . . . . .
Zn2 Zn 0.498214(12) 0.40112(3) 0.315116(12) 0.0200 1.0000 Uani . . . . . .
H11 H 0.6336 1.0164 0.2743 0.0345 1.0000 Uiso R . . . . .
H12 H 0.5815 1.0758 0.2961 0.0347 1.0000 Uiso R . . . . .
H31 H 0.5256 0.1822 0.3606 0.0456 1.0000 Uiso R . . . . .
H32 H 0.4575 0.1999 0.3447 0.0452 1.0000 Uiso R . . . . .
H61 H 0.6928 0.6297 0.2397 0.0343 1.0000 Uiso R . . . . .
H71 H 0.7527 0.5456 0.1910 0.0456 1.0000 Uiso R . . . . .
H81 H 0.7529 0.3226 0.1716 0.0501 1.0000 Uiso R . . . . .
H91 H 0.6915 0.1840 0.1998 0.0527 1.0000 Uiso R . . . . .
H101 H 0.6344 0.2667 0.2511 0.0370 1.0000 Uiso R . . . . .
H121 H 0.7001 0.6590 0.3858 0.0414 1.0000 Uiso R . . . . .
H131 H 0.7558 0.6142 0.4844 0.0486 1.0000 Uiso R . . . . .
H141 H 0.7442 0.4178 0.5284 0.0459 1.0000 Uiso R . . . . .
H151 H 0.6775 0.2623 0.4717 0.0416 1.0000 Uiso R . . . . .
H161 H 0.6221 0.3053 0.3730 0.0302 1.0000 Uiso R . . . . .
H181 H 0.5995 0.9138 0.1762 0.0325 1.0000 Uiso R . . . . .
H191 H 0.6872 0.9331 0.1609 0.0415 1.0000 Uiso R . . . . .
H201 H 0.7128 0.7820 0.1014 0.0477 1.0000 Uiso R . . . . .
H211 H 0.6509 0.6067 0.0609 0.0493 1.0000 Uiso R . . . . .
H221 H 0.5651 0.5813 0.0789 0.0370 1.0000 Uiso R . . . . .
H241 H 0.4766 0.9671 0.0807 0.0388 1.0000 Uiso R . . . . .
H251 H 0.4108 1.0390 -0.0104 0.0490 1.0000 Uiso R . . . . .
H261 H 0.3462 0.8911 -0.0743 0.0552 1.0000 Uiso R . . . . .
H271 H 0.3457 0.6732 -0.0455 0.0591 1.0000 Uiso R . . . . .
H281 H 0.4113 0.6007 0.0456 0.0438 1.0000 Uiso R . . . . .
H22 H 0.6805 0.9338 0.3747 0.0521 1.0000 Uiso R . . . . .
H21 H 0.6342 1.0094 0.3927 0.0535 1.0000 Uiso R . . . . .
H23 H 0.6782 1.0858 0.3716 0.0531 1.0000 Uiso R . . . . .
H41 H 0.5033 0.1938 0.4478 0.1087 1.0000 Uiso R . . . . .
H42 H 0.5413 0.3169 0.4455 0.1097 1.0000 Uiso R . . . . .
H43 H 0.4741 0.3293 0.4275 0.1091 1.0000 Uiso R . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Zn 0.2839 1.4301 14.0743 3.2655 7.0318 0.2333 5.1652 10.3163 2.4100 58.7097
1.3041 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 . C1 . Zn1 . 115.12(18) yes
C2 . C1 . H11 . 108.5 no
Zn1 . C1 . H11 . 108.3 no
C2 . C1 . H12 . 107.9 no
Zn1 . C1 . H12 . 106.3 no
H11 . C1 . H12 . 110.8 no
C1 . C2 . H22 . 110.8 no
C1 . C2 . H21 . 109.1 no
H22 . C2 . H21 . 109.9 no
C1 . C2 . H23 . 109.1 no
H22 . C2 . H23 . 109.1 no
H21 . C2 . H23 . 108.9 no
C4 . C3 . Zn2 . 112.7(2) yes
C4 . C3 . H31 . 107.8 no
Zn2 . C3 . H31 . 108.3 no
C4 . C3 . H32 . 108.1 no
Zn2 . C3 . H32 . 110.6 no
H31 . C3 . H32 . 109.2 no
C3 . C4 . H41 . 110.1 no
C3 . C4 . H42 . 111.5 no
H41 . C4 . H42 . 111.0 no
C3 . C4 . H43 . 107.1 no
H41 . C4 . H43 . 107.9 no
H42 . C4 . H43 . 109.0 no
C6 . C5 . C10 . 119.2(2) yes
C6 . C5 . P1 . 120.99(19) yes
C10 . C5 . P1 . 119.81(19) yes
C5 . C6 . C7 . 120.1(3) yes
C5 . C6 . H61 . 118.5 no
C7 . C6 . H61 . 121.5 no
C6 . C7 . C8 . 120.3(3) yes
C6 . C7 . H71 . 119.4 no
C8 . C7 . H71 . 120.3 no
C7 . C8 . C9 . 119.9(3) yes
C7 . C8 . H81 . 119.2 no
C9 . C8 . H81 . 120.9 no
C8 . C9 . C10 . 120.3(3) yes
C8 . C9 . H91 . 119.5 no
C10 . C9 . H91 . 120.2 no
C5 . C10 . C9 . 120.3(3) yes
C5 . C10 . H101 . 119.5 no
C9 . C10 . H101 . 120.2 no
C12 . C11 . C16 . 119.2(2) yes
C12 . C11 . P1 . 119.8(2) yes
C16 . C11 . P1 . 120.93(18) yes
C11 . C12 . C13 . 120.0(3) yes
C11 . C12 . H121 . 119.6 no
C13 . C12 . H121 . 120.4 no
C12 . C13 . C14 . 120.2(3) yes
C12 . C13 . H131 . 119.0 no
C14 . C13 . H131 . 120.8 no
C13 . C14 . C15 . 120.3(3) yes
C13 . C14 . H141 . 120.0 no
C15 . C14 . H141 . 119.7 no
C14 . C15 . C16 . 120.1(3) yes
C14 . C15 . H151 . 121.0 no
C16 . C15 . H151 . 118.9 no
C11 . C16 . C15 . 120.1(2) yes
C11 . C16 . H161 . 119.9 no
C15 . C16 . H161 . 119.9 no
C18 . C17 . C22 . 118.9(2) yes
C18 . C17 . P2 . 123.29(19) yes
C22 . C17 . P2 . 117.76(19) yes
C17 . C18 . C19 . 120.3(3) yes
C17 . C18 . H181 . 120.1 no
C19 . C18 . H181 . 119.6 no
C18 . C19 . C20 . 120.1(3) yes
C18 . C19 . H191 . 120.2 no
C20 . C19 . H191 . 119.7 no
C19 . C20 . C21 . 119.9(3) yes
C19 . C20 . H201 . 120.4 no
C21 . C20 . H201 . 119.7 no
C20 . C21 . C22 . 120.4(3) yes
C20 . C21 . H211 . 120.2 no
C22 . C21 . H211 . 119.3 no
C17 . C22 . C21 . 120.3(3) yes
C17 . C22 . H221 . 120.0 no
C21 . C22 . H221 . 119.7 no
C24 . C23 . C28 . 119.3(2) yes
C24 . C23 . P2 . 120.16(19) yes
C28 . C23 . P2 . 120.4(2) yes
C23 . C24 . C25 . 120.2(3) yes
C23 . C24 . H241 . 119.6 no
C25 . C24 . H241 . 120.2 no
C24 . C25 . C26 . 119.8(3) yes
C24 . C25 . H251 . 119.9 no
C26 . C25 . H251 . 120.2 no
C25 . C26 . C27 . 120.5(3) yes
C25 . C26 . H261 . 119.9 no
C27 . C26 . H261 . 119.6 no
C26 . C27 . C28 . 120.1(3) yes
C26 . C27 . H271 . 120.6 no
C28 . C27 . H271 . 119.3 no
C27 . C28 . C23 . 120.1(3) yes
C27 . C28 . H281 . 120.4 no
C23 . C28 . H281 . 119.6 no
P1 . O1 . Zn1 . 154.68(11) yes
Zn2 5_655 O2 . P1 . 126.01(9) yes
Zn2 5_655 O2 . Zn2 . 97.02(6) yes
P1 . O2 . Zn2 . 131.09(10) yes
Zn1 5_655 O3 . P2 . 126.84(9) yes
Zn1 5_655 O3 . Zn1 . 94.96(6) yes
P2 . O3 . Zn1 . 129.71(9) yes
Zn2 5_655 O4 . P2 . 158.29(11) yes
C11 . P1 . C5 . 105.91(11) yes
C11 . P1 . O2 . 107.86(10) yes
C5 . P1 . O2 . 106.18(10) yes
C11 . P1 . O1 . 108.97(11) yes
C5 . P1 . O1 . 109.14(11) yes
O2 . P1 . O1 . 118.11(9) yes
C11 . P1 . Zn2 5_655 138.34(8) yes
C5 . P1 . Zn2 5_655 86.79(8) yes
O1 . P1 . Zn2 5_655 103.50(7) yes
C17 . P2 . C23 . 105.01(11) yes
C17 . P2 . O3 . 108.51(10) yes
C23 . P2 . O3 . 108.91(10) yes
C17 . P2 . O4 . 109.82(11) yes
C23 . P2 . O4 . 107.84(11) yes
O3 . P2 . O4 . 116.16(10) yes
O3 . Zn1 . O3 5_655 82.78(7) yes
O3 . Zn1 . C1 . 122.56(9) yes
O3 5_655 Zn1 . C1 . 117.70(9) yes
O3 . Zn1 . O1 . 96.58(7) yes
O3 5_655 Zn1 . O1 . 108.06(7) yes
C1 . Zn1 . O1 . 121.46(9) yes
Zn2 5_655 Zn2 . O2 5_655 41.42(4) yes
Zn2 5_655 Zn2 . O2 . 41.56(4) yes
O2 5_655 Zn2 . O2 . 79.85(6) yes
Zn2 5_655 Zn2 . C3 . 125.33(9) yes
O2 5_655 Zn2 . C3 . 123.58(10) yes
O2 . Zn2 . C3 . 125.55(10) yes
Zn2 5_655 Zn2 . O4 5_655 115.19(5) yes
O2 5_655 Zn2 . O4 5_655 103.55(7) yes
O2 . Zn2 . O4 5_655 96.16(7) yes
C3 . Zn2 . O4 5_655 119.33(10) yes
Zn2 5_655 Zn2 . P1 5_655 62.397(14) yes
O2 5_655 Zn2 . P1 5_655 22.47(4) yes
O2 . Zn2 . P1 5_655 96.28(4) yes
C3 . Zn2 . P1 5_655 123.55(9) yes
O4 5_655 Zn2 . P1 5_655 86.67(5) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 . C2 . 1.537(4) yes
C1 . Zn1 . 1.973(2) yes
C1 . H11 . 0.973 no
C1 . H12 . 1.028 no
C2 . H22 . 0.941 no
C2 . H21 . 0.947 no
C2 . H23 . 0.951 no
C3 . C4 . 1.513(4) yes
C3 . Zn2 . 1.968(3) yes
C3 . H31 . 0.973 no
C3 . H32 . 0.962 no
C4 . H41 . 0.956 no
C4 . H42 . 0.946 no
C4 . H43 . 0.954 no
C5 . C6 . 1.385(3) yes
C5 . C10 . 1.391(3) yes
C5 . P1 . 1.796(2) yes
C6 . C7 . 1.384(4) yes
C6 . H61 . 0.924 no
C7 . C8 . 1.378(4) yes
C7 . H71 . 0.928 no
C8 . C9 . 1.375(4) yes
C8 . H81 . 0.944 no
C9 . C10 . 1.377(4) yes
C9 . H91 . 0.927 no
C10 . H101 . 0.927 no
C11 . C12 . 1.391(3) yes
C11 . C16 . 1.391(3) yes
C11 . P1 . 1.796(2) yes
C12 . C13 . 1.387(4) yes
C12 . H121 . 0.932 no
C13 . C14 . 1.370(4) yes
C13 . H131 . 0.922 no
C14 . C15 . 1.379(4) yes
C14 . H141 . 0.936 no
C15 . C16 . 1.384(4) yes
C15 . H151 . 0.934 no
C16 . H161 . 0.933 no
C17 . C18 . 1.389(3) yes
C17 . C22 . 1.390(3) yes
C17 . P2 . 1.800(2) yes
C18 . C19 . 1.384(4) yes
C18 . H181 . 0.922 no
C19 . C20 . 1.378(4) yes
C19 . H191 . 0.924 no
C20 . C21 . 1.374(4) yes
C20 . H201 . 0.944 no
C21 . C22 . 1.380(4) yes
C21 . H211 . 0.928 no
C22 . H221 . 0.929 no
C23 . C24 . 1.393(4) yes
C23 . C28 . 1.384(4) yes
C23 . P2 . 1.797(2) yes
C24 . C25 . 1.381(4) yes
C24 . H241 . 0.926 no
C25 . C26 . 1.374(4) yes
C25 . H251 . 0.932 no
C26 . C27 . 1.374(4) yes
C26 . H261 . 0.941 no
C27 . C28 . 1.385(4) yes
C27 . H271 . 0.929 no
C28 . H281 . 0.937 no
O1 . P1 . 1.4920(17) yes
O1 . Zn1 . 1.9698(16) yes
O2 . Zn2 5_655 2.0934(15) yes
O2 . P1 . 1.5306(16) yes
O2 . Zn2 . 2.0874(16) yes
O3 . Zn1 5_655 2.0918(16) yes
O3 . P2 . 1.5340(17) yes
O3 . Zn1 . 2.0942(15) yes
O4 . Zn2 5_655 1.9599(16) yes
O4 . P2 . 1.4970(17) yes
P1 . Zn2 5_655 3.2391(6) yes
Zn2 . Zn2 5_655 3.1318(6) yes
