#------------------------------------------------------------------------------
#$Date: 2022-09-17 01:04:21 +0200 (Sat 17 de Sep de 2022) $
#$Revision: 277932 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/39/7203984.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_7203984
loop_
_publ_author_name
'Maple, Martin J.'
'Philp, Eilidh F.'
'Slawin, Alexandra M. Z.'
'Lightfoot, Philip'
'Cox, Paul A.'
'Wright, Paul A.'
_publ_section_title
;
 Azamacrocycles and the azaoxacryptand
 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane as
 structure-directing agents in the synthesis of microporous
 metalloaluminophosphates
;
_journal_coden_ASTM              JMACEP
_journal_issue                   1
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              98
_journal_page_last               104
_journal_paper_doi               10.1039/b003430o
_journal_volume                  11
_journal_year                    2001
_chemical_compound_source        -
_chemical_formula_analytical     'C10 H25 Al Co N4 O8 P2'
_chemical_formula_moiety         'C10 H24 N4.Co.Al.P O4.P O3 (OH)'
_chemical_formula_structural     'C10 H25 Al Co N4 O8 P2'
_chemical_formula_sum            'C10 H25 Al Co N4 O8 P2'
_chemical_formula_weight         477.19
_chemical_melting_point          ?
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 98.3230(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.9780(8)
_cell_length_b                   14.7200(8)
_cell_length_c                   8.4792(5)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      168
_cell_measurement_theta_min      12
_cell_volume                     1849.77(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       CCD
_diffrn_measurement_method       'phi and omega scans'
_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  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            7991
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         1.37
_diffrn_standards_decay_%        -
_diffrn_standards_interval_count -
_diffrn_standards_interval_time  -
_diffrn_standards_number         -
_exptl_absorpt_coefficient_mu    1.195
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.775120
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    -
_exptl_crystal_description       prism
_exptl_crystal_F_000             988
_exptl_crystal_size_max          .28
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .25
_refine_diff_density_max         0.271
_refine_diff_density_min         -0.243
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       0.0012(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.984
_refine_ls_goodness_of_fit_obs   1.042
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         2617
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.176
_refine_ls_restrained_S_obs      1.041
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_obs          0.0285
_refine_ls_shift/esd_max         0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0404P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0818
_refine_ls_wR_factor_obs         0.0643
_reflns_number_observed          2100
_reflns_number_total             2659
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b003430o.txt
_cod_data_source_block           eppw3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/adriana/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value '-' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0404P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0404P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1849.8(2)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7203984
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Co1 Co 0.5000 0.5000 0.0000 0.0257(2) Uani 1 d S .
N1 N 0.5907(2) 0.4068(2) 0.1259(3) 0.0369(6) Uani 1 d D .
H1N H 0.6380(15) 0.4462(17) 0.1797(33) 0.056(10) Uiso 1 d D .
C2 C 0.5389(2) 0.3650(2) 0.2419(4) 0.0555(10) Uani 1 d . .
H2A H 0.5797(2) 0.3348(2) 0.3248(4) 0.067 Uiso 1 calc R .
H2B H 0.4978(2) 0.3199(2) 0.1890(4) 0.067 Uiso 1 calc R .
C3 C 0.4861(2) 0.4372(2) 0.3150(4) 0.0554(10) Uani 1 d . .
H3A H 0.4517(2) 0.4096(2) 0.3908(4) 0.066 Uiso 1 calc R .
H3B H 0.5273(2) 0.4811(2) 0.3714(4) 0.066 Uiso 1 calc R .
N4 N 0.4250(2) 0.4829(2) 0.1891(3) 0.0387(6) Uani 1 d D .
H4N H 0.3765(16) 0.4396(18) 0.1549(40) 0.071(11) Uiso 1 d D .
C5 C 0.3851(2) 0.5683(2) 0.2387(4) 0.0525(10) Uani 1 d . .
H5A H 0.4331(2) 0.6099(2) 0.2797(4) 0.063 Uiso 1 calc R .
H5B H 0.3502(2) 0.5555(2) 0.3240(4) 0.063 Uiso 1 calc R .
C6 C 0.3248(2) 0.6130(3) 0.1021(5) 0.0629(11) Uani 1 d . .
H6A H 0.2881(2) 0.6580(3) 0.1463(5) 0.076 Uiso 1 calc R .
H6B H 0.2842(2) 0.5672(3) 0.0502(5) 0.076 Uiso 1 calc R .
C7 C 0.3709(2) 0.6589(2) -0.0240(5) 0.0546(10) Uani 1 d . .
H7A H 0.3275(2) 0.6969(2) -0.0898(5) 0.065 Uiso 1 calc R .
H7B H 0.4186(2) 0.6979(2) 0.0275(5) 0.065 Uiso 1 calc R .
O1 O 0.56522(11) 0.61272(12) 0.1232(2) 0.0294(5) Uani 1 d . .
P1 P 0.66294(4) 0.63284(4) 0.17797(8) 0.0208(2) Uani 1 d . .
O2 O 0.71128(12) 0.64824(12) 0.0301(2) 0.0331(5) Uani 1 d . .
O3 O 0.71151(12) 0.55526(11) 0.2747(2) 0.0280(4) Uani 1 d . .
O4 O 0.67345(11) 0.72135(11) 0.2784(2) 0.0273(4) Uani 1 d . .
Al1 Al 0.75679(5) 0.77786(5) 0.40482(9) 0.0187(2) Uani 1 d . .
O5 O 0.83194(12) 0.70208(12) 0.5128(2) 0.0272(4) Uani 1 d . .
P2 P 0.82969(5) 0.62180(5) 0.62820(8) 0.0226(2) Uani 1 d . .
O6 O 0.91204(13) 0.56558(13) 0.6327(2) 0.0383(5) Uani 1 d . .
O7 O 0.82170(12) 0.65688(13) 0.7944(2) 0.0349(5) Uani 1 d . .
O8 O 0.74191(14) 0.56745(15) 0.5719(2) 0.0420(5) Uani 1 d D .
H8O H 0.7255(22) 0.5591(25) 0.4565(10) 0.073(12) Uiso 1 d D .
Co2 Co 1.0000 0.5000 0.5000 0.0245(2) Uani 1 d S .
N11 N 1.0999(2) 0.5136(2) 0.7018(3) 0.0409(7) Uani 1 d D .
H11N H 1.1543(12) 0.4812(17) 0.6823(36) 0.045(9) Uiso 1 d D .
C12 C 1.1235(2) 0.6112(2) 0.7035(5) 0.0612(11) Uani 1 d . .
H12A H 1.1802(2) 0.6209(2) 0.7726(5) 0.073 Uiso 1 calc R .
H12B H 1.0772(2) 0.6460(2) 0.7453(5) 0.073 Uiso 1 calc R .
C13 C 1.1316(3) 0.6430(2) 0.5374(5) 0.0640(11) Uani 1 d . .
H13A H 1.1467(3) 0.7071(2) 0.5393(5) 0.077 Uiso 1 calc R .
H13B H 1.1795(3) 0.6099(2) 0.4971(5) 0.077 Uiso 1 calc R .
N14 N 1.0456(2) 0.6279(2) 0.4324(3) 0.0455(7) Uani 1 d D .
H14N H 1.0012(17) 0.6734(16) 0.4543(41) 0.069(11) Uiso 1 d D .
C15 C 1.0480(3) 0.6363(2) 0.2602(4) 0.0627(11) Uani 1 d . .
H15A H 1.0931(3) 0.5949(2) 0.2301(4) 0.075 Uiso 1 calc R .
H15B H 1.0660(3) 0.6976(2) 0.2370(4) 0.075 Uiso 1 calc R .
C16 C 0.9579(3) 0.6156(3) 0.1611(4) 0.0664(12) Uani 1 d . .
H16A H 0.9120(3) 0.6504(3) 0.2040(4) 0.080 Uiso 1 calc R .
H16B H 0.9599(3) 0.6374(3) 0.0537(4) 0.080 Uiso 1 calc R .
C17 C 0.9283(2) 0.5181(2) 0.1505(4) 0.0548(10) Uani 1 d . .
H17A H 0.8786(2) 0.5114(2) 0.0643(4) 0.066 Uiso 1 calc R .
H17B H 0.9778(2) 0.4806(2) 0.1259(4) 0.066 Uiso 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 0.0033 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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
N4 Co1 N4 180.0 . 3_665 ?
N4 Co1 N1 84.98(10) . . ?
N4 Co1 N1 95.02(10) 3_665 . ?
N4 Co1 N1 95.02(10) . 3_665 ?
N4 Co1 N1 84.98(10) 3_665 3_665 ?
N1 Co1 N1 180.0 . 3_665 ?
N4 Co1 O1 91.32(8) . 3_665 ?
N4 Co1 O1 88.67(8) 3_665 3_665 ?
N1 Co1 O1 87.56(8) . 3_665 ?
N1 Co1 O1 92.44(8) 3_665 3_665 ?
N4 Co1 O1 88.68(8) . . ?
N4 Co1 O1 91.32(8) 3_665 . ?
N1 Co1 O1 92.44(8) . . ?
N1 Co1 O1 87.56(8) 3_665 . ?
O1 Co1 O1 179.999(1) 3_665 . ?
C7 N1 C2 114.0(2) 3_665 . ?
C7 N1 Co1 114.2(2) 3_665 . ?
C2 N1 Co1 104.2(2) . . ?
N1 C2 C3 109.8(3) . . ?
N4 C3 C2 109.5(3) . . ?
C3 N4 C5 114.8(3) . . ?
C3 N4 Co1 105.3(2) . . ?
C5 N4 Co1 113.4(2) . . ?
N4 C5 C6 111.9(3) . . ?
C5 C6 C7 116.9(3) . . ?
N1 C7 C6 112.3(3) 3_665 . ?
P1 O1 Co1 131.75(11) . . ?
O1 P1 O3 112.71(10) . . ?
O1 P1 O4 110.64(10) . . ?
O3 P1 O4 109.30(10) . . ?
O1 P1 O2 109.10(10) . . ?
O3 P1 O2 107.54(11) . . ?
O4 P1 O2 107.36(10) . . ?
P1 O2 Al1 149.30(13) . 4_575 ?
P1 O4 Al1 138.42(12) . . ?
O2 Al1 O7 106.55(10) 4_576 4_575 ?
O2 Al1 O4 111.65(9) 4_576 . ?
O7 Al1 O4 109.95(9) 4_575 . ?
O2 Al1 O5 111.20(9) 4_576 . ?
O7 Al1 O5 105.52(9) 4_575 . ?
O4 Al1 O5 111.66(9) . . ?
P2 O5 Al1 138.81(12) . . ?
O6 P2 O7 110.04(11) . . ?
O6 P2 O5 110.54(11) . . ?
O7 P2 O5 109.90(10) . . ?
O6 P2 O8 112.62(12) . . ?
O7 P2 O8 106.43(11) . . ?
O5 P2 O8 107.18(10) . . ?
P2 O6 Co2 146.32(12) . . ?
P2 O7 Al1 144.41(13) . 4_576 ?
O6 Co2 O6 180.0 . 3_766 ?
O6 Co2 N14 89.32(9) . . ?
O6 Co2 N14 90.68(9) 3_766 . ?
O6 Co2 N14 90.68(9) . 3_766 ?
O6 Co2 N14 89.32(9) 3_766 3_766 ?
N14 Co2 N14 180.0 . 3_766 ?
O6 Co2 N11 87.03(8) . . ?
O6 Co2 N11 92.97(8) 3_766 . ?
N14 Co2 N11 85.20(11) . . ?
N14 Co2 N11 94.80(11) 3_766 . ?
O6 Co2 N11 92.97(8) . 3_766 ?
O6 Co2 N11 87.03(8) 3_766 3_766 ?
N14 Co2 N11 94.81(11) . 3_766 ?
N14 Co2 N11 85.19(11) 3_766 3_766 ?
N11 Co2 N11 180.0 . 3_766 ?
C17 N11 C12 113.7(3) 3_766 . ?
C17 N11 Co2 113.9(2) 3_766 . ?
C12 N11 Co2 103.9(2) . . ?
N11 C12 C13 110.2(3) . . ?
N14 C13 C12 109.6(3) . . ?
C15 N14 C13 116.2(3) . . ?
C15 N14 Co2 113.6(2) . . ?
C13 N14 Co2 105.1(2) . . ?
N14 C15 C16 112.7(3) . . ?
C17 C16 C15 117.2(3) . . ?
N11 C17 C16 112.0(3) 3_766 . ?
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
Co1 N4 2.102(2) . ?
Co1 N4 2.102(2) 3_665 ?
Co1 N1 2.109(2) . ?
Co1 N1 2.109(2) 3_665 ?
Co1 O1 2.122(2) 3_665 ?
Co1 O1 2.122(2) . ?
N1 C7 1.468(4) 3_665 ?
N1 C2 1.473(4) . ?
C2 C3 1.509(5) . ?
C3 N4 1.466(4) . ?
N4 C5 1.479(4) . ?
C5 C6 1.512(5) . ?
C6 C7 1.513(5) . ?
C7 N1 1.468(4) 3_665 ?
O1 P1 1.500(2) . ?
P1 O3 1.528(2) . ?
P1 O4 1.552(2) . ?
P1 O2 1.553(2) . ?
O2 Al1 1.728(2) 4_575 ?
O4 Al1 1.736(2) . ?
Al1 O2 1.728(2) 4_576 ?
Al1 O7 1.734(2) 4_575 ?
Al1 O5 1.747(2) . ?
O5 P2 1.538(2) . ?
P2 O6 1.481(2) . ?
P2 O7 1.522(2) . ?
P2 O8 1.554(2) . ?
O6 Co2 2.089(2) . ?
O7 Al1 1.734(2) 4_576 ?
Co2 O6 2.089(2) 3_766 ?
Co2 N14 2.109(2) . ?
Co2 N14 2.109(2) 3_766 ?
Co2 N11 2.113(3) . ?
Co2 N11 2.114(3) 3_766 ?
N11 C17 1.456(4) 3_766 ?
N11 C12 1.478(4) . ?
C12 C13 1.506(5) . ?
C13 N14 1.473(5) . ?
N14 C15 1.472(4) . ?
C15 C16 1.513(5) . ?
C16 C17 1.501(5) . ?
C17 N11 1.456(4) 3_766 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Co1 N1 C7 140.7(2) . . . 3_665 ?
N4 Co1 N1 C7 -39.3(2) 3_665 . . 3_665 ?
N1 Co1 N1 C7 75.0(47) 3_665 . . 3_665 ?
O1 Co1 N1 C7 49.2(2) 3_665 . . 3_665 ?
O1 Co1 N1 C7 -130.8(2) . . . 3_665 ?
N4 Co1 N1 C2 15.7(2) . . . . ?
N4 Co1 N1 C2 -164.3(2) 3_665 . . . ?
N1 Co1 N1 C2 -50.1(47) 3_665 . . . ?
O1 Co1 N1 C2 -75.9(2) 3_665 . . . ?
O1 Co1 N1 C2 104.1(2) . . . . ?
C7 N1 C2 C3 -167.8(3) 3_665 . . . ?
Co1 N1 C2 C3 -42.7(3) . . . . ?
N1 C2 C3 N4 59.0(4) . . . . ?
C2 C3 N4 C5 -166.5(3) . . . . ?
C2 C3 N4 Co1 -41.0(3) . . . . ?
N4 Co1 N4 C3 148.7(9) 3_665 . . . ?
N1 Co1 N4 C3 13.8(2) . . . . ?
N1 Co1 N4 C3 -166.2(2) 3_665 . . . ?
O1 Co1 N4 C3 101.2(2) 3_665 . . . ?
O1 Co1 N4 C3 -78.8(2) . . . . ?
N4 Co1 N4 C5 -85.0(8) 3_665 . . . ?
N1 Co1 N4 C5 140.1(2) . . . . ?
N1 Co1 N4 C5 -39.9(2) 3_665 . . . ?
O1 Co1 N4 C5 -132.5(2) 3_665 . . . ?
O1 Co1 N4 C5 47.5(2) . . . . ?
C3 N4 C5 C6 178.5(3) . . . . ?
Co1 N4 C5 C6 57.4(3) . . . . ?
N4 C5 C6 C7 -73.5(4) . . . . ?
C5 C6 C7 N1 72.4(4) . . . 3_665 ?
N4 Co1 O1 P1 123.2(2) . . . . ?
N4 Co1 O1 P1 -56.8(2) 3_665 . . . ?
N1 Co1 O1 P1 38.3(2) . . . . ?
N1 Co1 O1 P1 -141.7(2) 3_665 . . . ?
O1 Co1 O1 P1 -39.6(51) 3_665 . . . ?
Co1 O1 P1 O3 -51.6(2) . . . . ?
Co1 O1 P1 O4 -174.29(12) . . . . ?
Co1 O1 P1 O2 67.8(2) . . . . ?
O1 P1 O2 Al1 102.8(3) . . . 4_575 ?
O3 P1 O2 Al1 -134.6(2) . . . 4_575 ?
O4 P1 O2 Al1 -17.1(3) . . . 4_575 ?
O1 P1 O4 Al1 166.8(2) . . . . ?
O3 P1 O4 Al1 42.1(2) . . . . ?
O2 P1 O4 Al1 -74.3(2) . . . . ?
P1 O4 Al1 O2 -158.0(2) . . . 4_576 ?
P1 O4 Al1 O7 83.9(2) . . . 4_575 ?
P1 O4 Al1 O5 -32.8(2) . . . . ?
O2 Al1 O5 P2 68.4(2) 4_576 . . . ?
O7 Al1 O5 P2 -176.5(2) 4_575 . . . ?
O4 Al1 O5 P2 -57.1(2) . . . . ?
Al1 O5 P2 O6 159.4(2) . . . . ?
Al1 O5 P2 O7 -79.0(2) . . . . ?
Al1 O5 P2 O8 36.3(2) . . . . ?
O7 P2 O6 Co2 -168.7(2) . . . . ?
O5 P2 O6 Co2 -47.1(3) . . . . ?
O8 P2 O6 Co2 72.7(3) . . . . ?
O6 P2 O7 Al1 179.5(2) . . . 4_576 ?
O5 P2 O7 Al1 57.6(3) . . . 4_576 ?
O8 P2 O7 Al1 -58.2(3) . . . 4_576 ?
P2 O6 Co2 O6 -94.2(87) . . . 3_766 ?
P2 O6 Co2 N14 69.5(2) . . . . ?
P2 O6 Co2 N14 -110.5(2) . . . 3_766 ?
P2 O6 Co2 N11 154.7(2) . . . . ?
P2 O6 Co2 N11 -25.3(2) . . . 3_766 ?
O6 Co2 N11 C17 50.6(2) . . . 3_766 ?
O6 Co2 N11 C17 -129.4(2) 3_766 . . 3_766 ?
N14 Co2 N11 C17 140.2(2) . . . 3_766 ?
N14 Co2 N11 C17 -39.8(2) 3_766 . . 3_766 ?
N11 Co2 N11 C17 -56.0(154) 3_766 . . 3_766 ?
O6 Co2 N11 C12 -73.6(2) . . . . ?
O6 Co2 N11 C12 106.4(2) 3_766 . . . ?
N14 Co2 N11 C12 16.0(2) . . . . ?
N14 Co2 N11 C12 -164.0(2) 3_766 . . . ?
N11 Co2 N11 C12 179.8(154) 3_766 . . . ?
C17 N11 C12 C13 -167.4(3) 3_766 . . . ?
Co2 N11 C12 C13 -43.0(3) . . . . ?
N11 C12 C13 N14 59.0(4) . . . . ?
C12 C13 N14 C15 -166.9(3) . . . . ?
C12 C13 N14 Co2 -40.4(3) . . . . ?
O6 Co2 N14 C15 -131.6(2) . . . . ?
O6 Co2 N14 C15 48.4(2) 3_766 . . . ?
N14 Co2 N14 C15 13.7(1000) 3_766 . . . ?
N11 Co2 N14 C15 141.3(2) . . . . ?
N11 Co2 N14 C15 -38.7(2) 3_766 . . . ?
O6 Co2 N14 C13 100.3(2) . . . . ?
O6 Co2 N14 C13 -79.7(2) 3_766 . . . ?
N14 Co2 N14 C13 -114.4(259) 3_766 . . . ?
N11 Co2 N14 C13 13.2(2) . . . . ?
N11 Co2 N14 C13 -166.8(2) 3_766 . . . ?
C13 N14 C15 C16 177.5(3) . . . . ?
Co2 N14 C15 C16 55.4(3) . . . . ?
N14 C15 C16 C17 -72.5(4) . . . . ?
C15 C16 C17 N11 73.3(4) . . . 3_766 ?
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2022-09-17T02:00:00+03:00
'Updated bibliographic information.'
