#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:03:56 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179229 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/49/4314990.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_4314990
loop_
_publ_author_name
'Xiao-Yi Yi'
'Tony C. H. Lam'
'Ian D. Williams'
'Wa-Hung Leung'
_publ_section_title
;
 Hydrolysis of Bis(p-nitrophenyl)phosphate by Tetravalent Metal Complexes
 with Kläui's Oxygen Tripodal Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2232
_journal_page_last               2238
_journal_paper_doi               10.1021/ic902018u
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C17 H35 Co Hf N3 O18 P3'
_chemical_formula_weight         899.81
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.0850(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.44590(10)
_cell_length_b                   10.83490(10)
_cell_length_c                   16.73140(10)
_cell_measurement_reflns_used    29522
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      71.42
_cell_measurement_theta_min      2.53
_cell_volume                     3158.06(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.987
_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  0.0474
_diffrn_reflns_av_sigmaI/netI    0.0215
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            43454
_diffrn_reflns_theta_full        66.50
_diffrn_reflns_theta_max         68.00
_diffrn_reflns_theta_min         4.81
_exptl_absorpt_coefficient_mu    12.233
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.61
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.893
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.888
_refine_diff_density_min         -0.950
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     394
_refine_ls_number_reflns         5659
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0231
_refine_ls_R_factor_gt           0.0205
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0340P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0492
_refine_ls_wR_factor_ref         0.0499
_reflns_number_gt                5208
_reflns_number_total             5659
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic902018u_si_001_1.cif
_cod_data_source_block           complex1-yxy223
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_database_code               4314990
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_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
Hf1 Hf 0.262784(6) 0.450752(10) 0.761930(6) 0.01435(5) Uani 1 1 d . . .
Co1 Co 0.22743(2) 0.57222(3) 0.53369(2) 0.01511(9) Uani 1 1 d . . .
P1 P 0.26528(3) 0.68804(5) 0.63276(3) 0.01505(12) Uani 1 1 d . . .
P2 P 0.13937(3) 0.49620(6) 0.60514(3) 0.01633(12) Uani 1 1 d . . .
P3 P 0.31161(3) 0.43365(5) 0.57044(3) 0.01573(12) Uani 1 1 d . . .
O1 O 0.34968(9) 0.73269(17) 0.61719(10) 0.0244(4) Uani 1 1 d . . .
O2 O 0.21808(10) 0.81284(16) 0.63688(10) 0.0261(4) Uani 1 1 d . . .
O3 O 0.08169(9) 0.60497(16) 0.62311(10) 0.0225(4) Uani 1 1 d . . .
O4 O 0.08221(10) 0.40072(16) 0.56023(11) 0.0250(4) Uani 1 1 d . . .
O5 O 0.28938(10) 0.31152(16) 0.52286(10) 0.0250(4) Uani 1 1 d . . .
O6 O 0.39609(10) 0.46036(16) 0.54258(10) 0.0228(4) Uani 1 1 d . . .
O7 O 0.26461(9) 0.63025(14) 0.71641(9) 0.0171(3) Uani 1 1 d . . .
O8 O 0.16561(9) 0.43395(15) 0.68390(10) 0.0184(3) Uani 1 1 d . . .
O9 O 0.32068(9) 0.40678(16) 0.66018(9) 0.0180(3) Uani 1 1 d . . .
O11 O 0.24236(10) 0.23709(17) 0.74162(10) 0.0255(4) Uani 1 1 d . . .
O12 O 0.33856(10) 0.29937(16) 0.81589(10) 0.0246(4) Uani 1 1 d . . .
O13 O 0.32736(14) 0.10289(18) 0.78676(13) 0.0444(5) Uani 1 1 d . . .
O14 O 0.38932(10) 0.52404(16) 0.78694(10) 0.0231(4) Uani 1 1 d . . .
O15 O 0.30926(10) 0.53398(16) 0.87866(10) 0.0250(4) Uani 1 1 d . . .
O16 O 0.42439(12) 0.6071(2) 0.90219(13) 0.0409(5) Uani 1 1 d . . .
O17 O 0.18849(10) 0.37194(16) 0.85733(10) 0.0252(4) Uani 1 1 d . . .
O18 O 0.16597(10) 0.56107(16) 0.82453(11) 0.0256(4) Uani 1 1 d . . .
O19 O 0.10010(14) 0.4744(2) 0.91651(15) 0.0538(7) Uani 1 1 d . . .
N1 N 0.30337(13) 0.2076(2) 0.78139(12) 0.0262(5) Uani 1 1 d . . .
N2 N 0.37721(13) 0.55739(19) 0.85773(13) 0.0238(5) Uani 1 1 d . . .
N3 N 0.14908(14) 0.4702(2) 0.86850(14) 0.0290(5) Uani 1 1 d . . .
C1 C 0.27068(16) 0.5696(3) 0.42034(15) 0.0305(6) Uani 1 1 d . . .
H1A H 0.3191 0.5282 0.4055 0.037 Uiso 1 1 calc R . .
C2 C 0.26414(17) 0.6922(3) 0.44683(15) 0.0336(7) Uani 1 1 d . . .
H2A H 0.3071 0.7529 0.4540 0.040 Uiso 1 1 calc R . .
C3 C 0.18558(17) 0.7155(3) 0.46063(16) 0.0338(7) Uani 1 1 d . . .
H3A H 0.1636 0.7952 0.4790 0.041 Uiso 1 1 calc R . .
C4 C 0.14443(16) 0.6067(3) 0.44258(15) 0.0300(6) Uani 1 1 d . . .
H4A H 0.0878 0.5954 0.4463 0.036 Uiso 1 1 calc R . .
C5 C 0.19688(16) 0.5151(3) 0.41808(14) 0.0274(6) Uani 1 1 d . . .
H5A H 0.1837 0.4289 0.4008 0.033 Uiso 1 1 calc R . .
C11 C 0.39117(17) 0.8138(3) 0.67413(17) 0.0371(7) Uani 1 1 d . . .
H11A H 0.4039 0.7691 0.7247 0.044 Uiso 1 1 calc R . .
H11B H 0.3591 0.8862 0.6862 0.044 Uiso 1 1 calc R . .
C12 C 0.4629(2) 0.8547(4) 0.6374(3) 0.0656(12) Uani 1 1 d . . .
H12A H 0.4911 0.9114 0.6739 0.098 Uiso 1 1 calc R . .
H12B H 0.4497 0.8970 0.5867 0.098 Uiso 1 1 calc R . .
H12C H 0.4949 0.7827 0.6273 0.098 Uiso 1 1 calc R . .
C13 C 0.18234(18) 0.8553(3) 0.70774(18) 0.0393(7) Uani 1 1 d . . .
H13A H 0.2217 0.8878 0.7471 0.047 Uiso 1 1 calc R . .
H13B H 0.1553 0.7862 0.7328 0.047 Uiso 1 1 calc R . .
C14 C 0.1269(2) 0.9542(3) 0.6833(3) 0.0636(12) Uani 1 1 d . . .
H14A H 0.0964 0.9760 0.7287 0.095 Uiso 1 1 calc R . .
H14B H 0.0928 0.9247 0.6389 0.095 Uiso 1 1 calc R . .
H14C H 0.1550 1.0270 0.6662 0.095 Uiso 1 1 calc R . .
C15 C 0.01705(17) 0.5835(3) 0.6733(2) 0.0409(8) Uani 1 1 d . . .
H15A H -0.0192 0.5246 0.6463 0.049 Uiso 1 1 calc R . .
H15B H 0.0359 0.5466 0.7248 0.049 Uiso 1 1 calc R . .
C16 C -0.0220(2) 0.6977(3) 0.6881(3) 0.0686(13) Uani 1 1 d . . .
H16A H -0.0679 0.6808 0.7177 0.103 Uiso 1 1 calc R . .
H16B H -0.0371 0.7373 0.6370 0.103 Uiso 1 1 calc R . .
H16C H 0.0123 0.7526 0.7198 0.103 Uiso 1 1 calc R . .
C17 C 0.10022(16) 0.2696(2) 0.55519(18) 0.0305(6) Uani 1 1 d . . .
H17A H 0.1330 0.2441 0.6024 0.037 Uiso 1 1 calc R . .
H17B H 0.1283 0.2529 0.5065 0.037 Uiso 1 1 calc R . .
C18 C 0.02665(16) 0.1991(3) 0.55225(18) 0.0342(6) Uani 1 1 d . . .
H18A H 0.0374 0.1110 0.5460 0.051 Uiso 1 1 calc R . .
H18B H -0.0064 0.2277 0.5068 0.051 Uiso 1 1 calc R . .
H18C H 0.0007 0.2124 0.6020 0.051 Uiso 1 1 calc R . .
C19 C 0.33738(17) 0.2009(3) 0.52795(17) 0.0336(6) Uani 1 1 d . . .
H19A H 0.3819 0.2150 0.5660 0.040 Uiso 1 1 calc R . .
H19B H 0.3569 0.1824 0.4748 0.040 Uiso 1 1 calc R . .
C20 C 0.2909(2) 0.0941(3) 0.55565(18) 0.0427(8) Uani 1 1 d . . .
H20A H 0.3211 0.0181 0.5527 0.064 Uiso 1 1 calc R . .
H20B H 0.2439 0.0864 0.5213 0.064 Uiso 1 1 calc R . .
H20C H 0.2775 0.1081 0.6111 0.064 Uiso 1 1 calc R . .
C21 C 0.45937(15) 0.5006(3) 0.59757(16) 0.0275(6) Uani 1 1 d . . .
H21A H 0.4384 0.5391 0.6454 0.033 Uiso 1 1 calc R . .
H21B H 0.4905 0.5633 0.5709 0.033 Uiso 1 1 calc R . .
C22 C 0.50910(17) 0.3937(3) 0.62257(19) 0.0447(8) Uani 1 1 d . . .
H22A H 0.5553 0.4238 0.6522 0.067 Uiso 1 1 calc R . .
H22B H 0.5238 0.3485 0.5750 0.067 Uiso 1 1 calc R . .
H22C H 0.4808 0.3386 0.6569 0.067 Uiso 1 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 0.0181 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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hf Hf -6.1794 4.9776 '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
O9 Hf1 O7 84.11(6) . . ?
O9 Hf1 O8 83.23(6) . . ?
O7 Hf1 O8 83.18(6) . . ?
O9 Hf1 O15 129.09(6) . . ?
O7 Hf1 O15 86.09(6) . . ?
O8 Hf1 O15 144.57(6) . . ?
O9 Hf1 O12 82.05(6) . . ?
O7 Hf1 O12 143.11(6) . . ?
O8 Hf1 O12 128.48(6) . . ?
O15 Hf1 O12 76.70(6) . . ?
O9 Hf1 O17 143.87(7) . . ?
O7 Hf1 O17 128.70(6) . . ?
O8 Hf1 O17 86.11(6) . . ?
O15 Hf1 O17 74.64(6) . . ?
O12 Hf1 O17 77.93(6) . . ?
O9 Hf1 O18 150.40(6) . . ?
O7 Hf1 O18 73.48(6) . . ?
O8 Hf1 O18 75.27(6) . . ?
O15 Hf1 O18 69.31(7) . . ?
O12 Hf1 O18 127.34(6) . . ?
O17 Hf1 O18 55.29(6) . . ?
O9 Hf1 O14 74.44(6) . . ?
O7 Hf1 O14 73.70(6) . . ?
O8 Hf1 O14 149.13(6) . . ?
O15 Hf1 O14 54.88(6) . . ?
O12 Hf1 O14 69.68(6) . . ?
O17 Hf1 O14 124.33(6) . . ?
O18 Hf1 O14 115.81(6) . . ?
O9 Hf1 O11 74.59(6) . . ?
O7 Hf1 O11 149.79(6) . . ?
O8 Hf1 O11 73.39(6) . . ?
O15 Hf1 O11 123.98(6) . . ?
O12 Hf1 O11 55.11(6) . . ?
O17 Hf1 O11 69.28(6) . . ?
O18 Hf1 O11 116.99(6) . . ?
O14 Hf1 O11 119.14(6) . . ?
O9 Hf1 N1 75.15(6) . . ?
O7 Hf1 N1 158.18(6) . . ?
O8 Hf1 N1 100.71(7) . . ?
O15 Hf1 N1 101.67(7) . . ?
O12 Hf1 N1 27.78(7) . . ?
O17 Hf1 N1 73.11(6) . . ?
O18 Hf1 N1 128.33(6) . . ?
O14 Hf1 N1 93.96(6) . . ?
O11 Hf1 N1 27.43(6) . . ?
O9 Hf1 N3 161.48(7) . . ?
O7 Hf1 N3 101.02(6) . . ?
O8 Hf1 N3 79.77(7) . . ?
O15 Hf1 N3 69.31(7) . . ?
O12 Hf1 N3 102.90(7) . . ?
O17 Hf1 N3 27.71(6) . . ?
O18 Hf1 N3 27.58(6) . . ?
O14 Hf1 N3 124.06(7) . . ?
O11 Hf1 N3 93.43(6) . . ?
N1 Hf1 N3 100.80(7) . . ?
O9 Hf1 N2 101.78(6) . . ?
O7 Hf1 N2 78.25(6) . . ?
O8 Hf1 N2 160.08(6) . . ?
O15 Hf1 N2 27.48(6) . . ?
O12 Hf1 N2 71.43(6) . . ?
O17 Hf1 N2 99.90(6) . . ?
O18 Hf1 N2 92.46(7) . . ?
O14 Hf1 N2 27.41(6) . . ?
O11 Hf1 N2 126.51(6) . . ?
N1 Hf1 N2 99.20(6) . . ?
N3 Hf1 N2 96.69(7) . . ?
C5 Co1 C2 66.89(11) . . ?
C5 Co1 C1 39.86(11) . . ?
C2 Co1 C1 39.58(11) . . ?
C5 Co1 C4 40.14(11) . . ?
C2 Co1 C4 66.63(11) . . ?
C1 Co1 C4 66.81(11) . . ?
C5 Co1 C3 67.10(11) . . ?
C2 Co1 C3 40.05(11) . . ?
C1 Co1 C3 66.91(12) . . ?
C4 Co1 C3 39.46(11) . . ?
C5 Co1 P1 160.85(8) . . ?
C2 Co1 P1 94.61(8) . . ?
C1 Co1 P1 126.78(9) . . ?
C4 Co1 P1 129.21(9) . . ?
C3 Co1 P1 95.76(8) . . ?
C5 Co1 P2 104.34(8) . . ?
C2 Co1 P2 151.81(9) . . ?
C1 Co1 P2 143.48(9) . . ?
C4 Co1 P2 89.21(8) . . ?
C3 Co1 P2 111.81(9) . . ?
P1 Co1 P2 89.65(3) . . ?
C5 Co1 P3 101.20(8) . . ?
C2 Co1 P3 113.75(9) . . ?
C1 Co1 P3 88.61(8) . . ?
C4 Co1 P3 140.13(9) . . ?
C3 Co1 P3 153.36(9) . . ?
P1 Co1 P3 90.58(3) . . ?
P2 Co1 P3 94.02(3) . . ?
O7 P1 O1 109.11(9) . . ?
O7 P1 O2 106.18(9) . . ?
O1 P1 O2 103.65(10) . . ?
O7 P1 Co1 116.57(7) . . ?
O1 P1 Co1 107.49(7) . . ?
O2 P1 Co1 113.05(7) . . ?
O8 P2 O3 109.13(9) . . ?
O8 P2 O4 105.69(9) . . ?
O3 P2 O4 100.59(9) . . ?
O8 P2 Co1 117.16(7) . . ?
O3 P2 Co1 107.37(7) . . ?
O4 P2 Co1 115.56(7) . . ?
O9 P3 O5 110.15(10) . . ?
O9 P3 O6 105.85(9) . . ?
O5 P3 O6 102.11(9) . . ?
O9 P3 Co1 116.32(7) . . ?
O5 P3 Co1 107.03(7) . . ?
O6 P3 Co1 114.46(7) . . ?
C11 O1 P1 120.62(17) . . ?
C13 O2 P1 123.71(17) . . ?
C15 O3 P2 120.47(17) . . ?
C17 O4 P2 121.83(16) . . ?
C19 O5 P3 122.16(16) . . ?
C21 O6 P3 123.16(15) . . ?
P1 O7 Hf1 135.52(9) . . ?
P2 O8 Hf1 134.03(10) . . ?
P3 O9 Hf1 136.93(10) . . ?
N1 O11 Hf1 93.17(14) . . ?
N1 O12 Hf1 97.26(13) . . ?
N2 O14 Hf1 93.46(13) . . ?
N2 O15 Hf1 97.88(13) . . ?
N3 O17 Hf1 96.92(13) . . ?
N3 O18 Hf1 93.33(13) . . ?
O13 N1 O11 123.6(2) . . ?
O13 N1 O12 122.4(2) . . ?
O11 N1 O12 114.09(19) . . ?
O13 N1 Hf1 174.10(19) . . ?
O11 N1 Hf1 59.40(12) . . ?
O12 N1 Hf1 54.97(11) . . ?
O16 N2 O14 124.2(2) . . ?
O16 N2 O15 122.1(2) . . ?
O14 N2 O15 113.8(2) . . ?
O16 N2 Hf1 176.43(18) . . ?
O14 N2 Hf1 59.13(12) . . ?
O15 N2 Hf1 54.64(11) . . ?
O19 N3 O18 123.4(2) . . ?
O19 N3 O17 122.2(2) . . ?
O18 N3 O17 114.46(19) . . ?
O19 N3 Hf1 177.5(2) . . ?
O18 N3 Hf1 59.09(11) . . ?
O17 N3 Hf1 55.37(11) . . ?
C2 C1 C5 108.3(3) . . ?
C2 C1 Co1 70.13(15) . . ?
C5 C1 Co1 69.86(14) . . ?
C1 C2 C3 108.3(3) . . ?
C1 C2 Co1 70.29(15) . . ?
C3 C2 Co1 70.25(15) . . ?
C4 C3 C2 107.5(3) . . ?
C4 C3 Co1 70.08(15) . . ?
C2 C3 Co1 69.70(15) . . ?
C3 C4 C5 108.5(3) . . ?
C3 C4 Co1 70.46(15) . . ?
C5 C4 Co1 69.70(14) . . ?
C1 C5 C4 107.4(3) . . ?
C1 C5 Co1 70.28(15) . . ?
C4 C5 Co1 70.15(14) . . ?
O1 C11 C12 107.9(3) . . ?
O2 C13 C14 107.9(3) . . ?
C16 C15 O3 110.5(3) . . ?
O4 C17 C18 108.2(2) . . ?
O5 C19 C20 109.5(2) . . ?
O6 C21 C22 110.6(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
Hf1 O9 2.0809(15) . ?
Hf1 O7 2.0895(16) . ?
Hf1 O8 2.0913(16) . ?
Hf1 O15 2.2615(17) . ?
Hf1 O12 2.2637(17) . ?
Hf1 O17 2.2759(16) . ?
Hf1 O18 2.3599(17) . ?
Hf1 O14 2.3620(18) . ?
Hf1 O11 2.3641(18) . ?
Hf1 N1 2.743(2) . ?
Hf1 N3 2.746(2) . ?
Hf1 N2 2.747(2) . ?
Co1 C5 2.073(2) . ?
Co1 C2 2.077(3) . ?
Co1 C1 2.079(3) . ?
Co1 C4 2.079(2) . ?
Co1 C3 2.084(3) . ?
Co1 P1 2.1542(7) . ?
Co1 P2 2.1600(7) . ?
Co1 P3 2.1661(7) . ?
P1 O7 1.5339(16) . ?
P1 O1 1.5846(17) . ?
P1 O2 1.5867(17) . ?
P2 O8 1.5284(17) . ?
P2 O3 1.5889(17) . ?
P2 O4 1.5964(18) . ?
P3 O9 1.5292(16) . ?
P3 O5 1.5818(18) . ?
P3 O6 1.5960(17) . ?
O1 C11 1.459(3) . ?
O2 C13 1.444(3) . ?
O3 C15 1.460(3) . ?
O4 C17 1.458(3) . ?
O5 C19 1.462(3) . ?
O6 C21 1.465(3) . ?
O11 N1 1.265(3) . ?
O12 N1 1.288(3) . ?
O13 N1 1.211(3) . ?
O14 N2 1.267(3) . ?
O15 N2 1.279(3) . ?
O16 N2 1.206(3) . ?
O17 N3 1.286(3) . ?
O18 N3 1.273(3) . ?
O19 N3 1.205(3) . ?
C1 C2 1.407(4) . ?
C1 C5 1.415(4) . ?
C2 C3 1.425(4) . ?
C3 C4 1.405(4) . ?
C4 C5 1.425(4) . ?
C11 C12 1.491(4) . ?
C13 C14 1.486(4) . ?
C15 C16 1.440(4) . ?
C17 C18 1.492(4) . ?
C19 C20 1.500(4) . ?
C21 C22 1.494(4) . ?
