#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/92/2009266.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_2009266
loop_
_publ_author_name
'Maxcy, Karen R.'
'Turnbull, Mark M.'
_publ_section_title
;
 trans-Bis(ethylenediamine)dinitrocobalt(III) perchlorate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1984
_journal_page_last               1986
_journal_paper_doi               10.1107/S010827019901197X
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Co(NO2 )2 (C2 H8 N2 )2  ]ClO4 '
_chemical_formula_moiety         'C4 H16  Co N6 O4 +, ClO4 -'
_chemical_formula_sum            'C4 H16 Cl Co N6 O8'
_chemical_formula_weight         370.61
_chemical_name_common
'bis-ethylenediaminedinitrocobalt(III) perchlor'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.015(10)
_cell_angle_beta                 95.196(10)
_cell_angle_gamma                94.984(10)
_cell_formula_units_Z            4
_cell_length_a                   6.718(10)
_cell_length_b                   13.595(10)
_cell_length_c                   15.637(10)
_cell_measurement_reflns_used    16
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.78
_cell_measurement_theta_min      11.85
_cell_volume                     1287(2)
_computing_cell_refinement       'CAD-4 EXPRESS (Straver, 1992)'
_computing_data_collection       'CAD-4 EXPRESS (Straver, 1992)'
_computing_data_reduction        'MoLEN (Fair, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       'θ-2θ theta'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0358
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6468
_diffrn_reflns_theta_full        28.46
_diffrn_reflns_theta_max         28.46
_diffrn_reflns_theta_min         2.61
_diffrn_standards_decay_%        0.7
_diffrn_standards_interval_time  420
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.592
_exptl_absorpt_correction_T_max  .573
_exptl_absorpt_correction_T_min  .523
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(Fair, 1990)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.913
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             760
_exptl_crystal_size_max          .45
_exptl_crystal_size_mid          .40
_exptl_crystal_size_min          .35
_refine_diff_density_max         0.969
_refine_diff_density_min         -0.644
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.207
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         6468
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.207
_refine_ls_R_factor_all          0.0847
_refine_ls_R_factor_gt           0.0630
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0516P)²+8.8786P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2043
_reflns_number_gt                4849
_reflns_number_total             6468
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            fr1228.cif
_cod_data_source_block           krm111
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/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 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' 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^)+(0.0516P)^2^+8.8786P] 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^)+(0.0516P)^2^+8.8786P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2009266
_cod_database_fobs_code          2009266
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_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_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Co1 0.23512(11) 0.74340(6) 0.24530(5) 0.02340(19) Uani d . 1 . . Co
N11 -0.0218(7) 0.7325(4) 0.1678(4) 0.0302(10) Uani d . 1 . . N
O11A -0.1022(8) 0.8140(4) 0.1785(4) 0.0506(13) Uani d . 1 . . O
O11B -0.1109(8) 0.6444(5) 0.1095(4) 0.0638(17) Uani d . 1 . . O
N12 0.4850(8) 0.7496(5) 0.3216(4) 0.0346(11) Uani d . 1 . . N
O12A 0.6330(8) 0.7215(6) 0.2851(5) 0.074(2) Uani d . 1 . . O
O12C 0.5099(19) 0.8024(17) 0.4100(9) 0.054(5) Uiso d P 0.50(4) A 1 O
O12D 0.4830(19) 0.7496(17) 0.4001(9) 0.054(5) Uiso d P 0.50(4) A 2 O
N13 0.2188(9) 0.5859(4) 0.1856(4) 0.0356(12) Uani d . 1 . . N
H13A 0.2602 0.5617 0.2291 0.043 Uiso calc R 1 . . H
H13B 0.0899 0.5562 0.1618 0.043 Uiso calc R 1 . . H
C13 0.3468(13) 0.5520(6) 0.1087(6) 0.054(2) Uani d . 1 . . C
H13C 0.2927 0.4801 0.0609 0.065 Uiso calc R 1 . . H
H13D 0.4830 0.5498 0.1338 0.065 Uiso calc R 1 . . H
N14 0.3854(8) 0.7426(5) 0.1435(4) 0.0387(12) Uani d . 1 . . N
H14A 0.3449 0.7912 0.1225 0.046 Uiso calc R 1 . . H
H14B 0.5182 0.7612 0.1652 0.046 Uiso calc R 1 . . H
C14 0.3484(14) 0.6330(8) 0.0663(6) 0.058(2) Uani d . 1 . . C
H14C 0.4535 0.6232 0.0260 0.070 Uiso calc R 1 . . H
H14D 0.2198 0.6229 0.0281 0.070 Uiso calc R 1 . . H
N15 0.2531(8) 0.9011(4) 0.3046(4) 0.0360(12) Uani d . 1 . . N
H15A 0.3765 0.9308 0.3024 0.043 Uiso calc R 1 . . H
H15B 0.1616 0.9226 0.2725 0.043 Uiso calc R 1 . . H
C15 0.2163(14) 0.9392(6) 0.4034(6) 0.056(2) Uani d . 1 . . C
H15C 0.1784 1.0119 0.4258 0.068 Uiso calc R 1 . . H
H15D 0.3366 0.9407 0.4434 0.068 Uiso calc R 1 . . H
N16 0.0836(8) 0.7467(4) 0.3476(4) 0.0326(11) Uani d . 1 . . N
H16A -0.0350 0.7032 0.3231 0.039 Uiso calc R 1 . . H
H16B 0.1539 0.7218 0.3846 0.039 Uiso calc R 1 . . H
C16 0.0471(12) 0.8600(7) 0.4050(6) 0.055(2) Uani d . 1 . . C
H16C 0.0388 0.8703 0.4696 0.066 Uiso calc R 1 . . H
H16D -0.0800 0.8730 0.3795 0.066 Uiso calc R 1 . . H
Co2 0.0000 0.0000 0.0000 0.0223(2) Uani d S 1 . . Co
N21 0.2147(7) -0.0623(4) 0.0423(4) 0.0308(11) Uani d . 1 . . N
O21A 0.2185(8) -0.0689(5) 0.1182(4) 0.0531(14) Uani d . 1 . . O
O21B 0.3452(8) -0.0986(5) -0.0079(4) 0.0542(14) Uani d . 1 . . O
N22 0.0439(7) 0.1243(4) 0.1228(4) 0.0309(10) Uani d . 1 . . N
H22A -0.0621 0.1617 0.1297 0.037 Uiso calc R 1 . . H
H22B 0.0565 0.1013 0.1692 0.037 Uiso calc R 1 . . H
C22 0.2306(10) 0.1954(5) 0.1290(5) 0.0372(14) Uani d . 1 . . C
H22C 0.3486 0.1667 0.1449 0.045 Uiso calc R 1 . . H
H22D 0.2307 0.2681 0.1775 0.045 Uiso calc R 1 . . H
N23 0.1942(7) 0.0842(4) -0.0378(4) 0.0285(10) Uani d . 1 . . N
H23A 0.3101 0.0549 -0.0441 0.034 Uiso calc R 1 . . H
H23B 0.1455 0.0824 -0.0940 0.034 Uiso calc R 1 . . H
C23 0.2338(10) 0.1984(5) 0.0343(5) 0.0351(13) Uani d . 1 . . C
H23C 0.1309 0.2395 0.0236 0.042 Uiso calc R 1 . . H
H23D 0.3642 0.2326 0.0312 0.042 Uiso calc R 1 . . H
Co3 0.5000 0.5000 0.5000 0.0232(2) Uani d S 1 . . Co
N31 0.3099(7) 0.5435(5) 0.4269(4) 0.0356(12) Uani d . 1 . . N
O31A 0.3361(9) 0.5283(6) 0.3456(4) 0.0706(19) Uani d . 1 . . O
O31B 0.1681(7) 0.5894(4) 0.4612(4) 0.0529(14) Uani d . 1 . . O
N32 0.4959(8) 0.3626(4) 0.3904(4) 0.0341(11) Uani d . 1 . . N
H32A 0.4477 0.3688 0.3375 0.041 Uiso calc R 1 B 1 H
H32B 0.6221 0.3455 0.3852 0.041 Uiso calc R 1 B 1 H
C32A 0.365(2) 0.2745(12) 0.4016(11) 0.037(4) Uiso d P 0.48(3) C 1 C
H32C 0.2950 0.2238 0.3401 0.044 Uiso calc PR 0.48(3) C 1 H
H32D 0.4486 0.2349 0.4263 0.044 Uiso calc PR 0.48(3) C 1 H
C32B 0.297(2) 0.2941(11) 0.3734(10) 0.036(4) Uiso d P 0.52(3) C 2 C
H32E 0.2000 0.3109 0.3331 0.043 Uiso calc PR 0.52(3) C 2 H
H32F 0.3117 0.2178 0.3418 0.043 Uiso calc PR 0.52(3) C 2 H
N33 0.2797(7) 0.4245(4) 0.5330(4) 0.0327(11) Uani d . 1 . . N
H33A 0.3180 0.4225 0.5889 0.039 Uiso calc R 1 . . H
H33B 0.1719 0.4605 0.5386 0.039 Uiso calc R 1 . . H
C33 0.2262(16) 0.3151(8) 0.4606(7) 0.080(3) Uani d . 1 . . C
H33C 0.1981 0.2672 0.4914 0.097 Uiso calc R 1 D 1 H
H33D 0.1019 0.3126 0.4225 0.097 Uiso calc R 1 D 1 H
Cl1 -0.2019(2) 0.40250(13) 0.21271(12) 0.0400(4) Uani d . 1 . . Cl
O11 -0.4098(10) 0.3707(7) 0.1853(6) 0.099(3) Uani d . 1 . . O
O12 -0.1670(11) 0.5170(5) 0.2584(6) 0.088(2) Uani d . 1 . . O
O13 -0.0890(13) 0.3674(7) 0.1366(5) 0.094(3) Uani d . 1 . . O
O14A -0.121(2) 0.3817(15) 0.2938(12) 0.067(4) Uiso d P 0.60(4) E 1 O
O14B -0.150(3) 0.336(2) 0.259(2) 0.074(7) Uiso d P 0.40(4) E 2 O
Cl2 -0.2453(3) 0.08092(14) 0.30860(14) 0.0449(4) Uani d . 1 . . Cl
O21 -0.2552(14) 0.1792(7) 0.3871(7) 0.111(3) Uani d . 1 . . O
O22 -0.0393(9) 0.0709(5) 0.2922(5) 0.0674(18) Uani d . 1 . . O
O23A -0.351(2) 0.0983(18) 0.2320(11) 0.090(6) Uiso d P 0.60(4) E 1 O
O23B -0.379(3) 0.040(3) 0.2281(16) 0.092(9) Uiso d P 0.40(4) E 2 O
O24 -0.3188(13) -0.0033(7) 0.3324(10) 0.141(5) Uani d . 1 . . O
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 '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'
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
_geom_angle_publ_flag
N12 Co1 N13 . . 89.1(2) y
N12 Co1 N15 . . 90.8(2) y
N13 Co1 N15 . . 179.6(2) y
N12 Co1 N14 . . 90.3(2) y
N13 Co1 N14 . . 86.0(2) y
N15 Co1 N14 . . 93.6(2) y
N12 Co1 N16 . . 90.1(2) y
N13 Co1 N16 . . 94.9(2) y
N15 Co1 N16 . . 85.5(2) y
N14 Co1 N16 . . 179.0(2) y
N12 Co1 N11 . . 178.1(2) y
N13 Co1 N11 . . 89.3(2) y
N15 Co1 N11 . . 90.8(2) y
N14 Co1 N11 . . 90.6(2) y
N16 Co1 N11 . . 89.1(2) y
O11B N11 O11A . . 117.4(5) y
O11B N11 Co1 . . 121.7(4) y
O11A N11 Co1 . . 120.8(4) y
O12A N12 O12D . . 115.5(8) n
O12A N12 O12C . . 117.0(8) n
O12D N12 O12C . . 31.4(7) n
O12A N12 Co1 . . 120.4(5) y
O12D N12 Co1 . . 120.6(7) n
O12C N12 Co1 . . 121.0(7) n
C13 N13 Co1 . . 110.4(4) n
N13 C13 C14 . . 107.9(6) n
C14 N14 Co1 . . 108.7(5) n
N14 C14 C13 . . 108.3(6) n
C15 N15 Co1 . . 110.8(4) n
N15 C15 C16 . . 106.3(6) n
C16 N16 Co1 . . 109.8(4) n
N16 C16 C15 . . 109.7(6) n
N21 Co2 N21 . 2 180.0 n
N21 Co2 N23 . 2 89.4(2) n
N21 Co2 N23 2 2 90.6(2) n
N21 Co2 N23 . . 90.6(2) y
N21 Co2 N23 2 . 89.4(2) n
N23 Co2 N23 2 . 180.0 n
N21 Co2 N22 . . 89.8(2) y
N21 Co2 N22 2 . 90.2(2) n
N23 Co2 N22 2 . 94.0(2) n
N23 Co2 N22 . . 86.0(2) y
N21 Co2 N22 . 2 90.2(2) n
N21 Co2 N22 2 2 89.8(2) n
N23 Co2 N22 2 2 86.0(2) n
N23 Co2 N22 . 2 94.0(2) n
N22 Co2 N22 . 2 180.0 n
O21A N21 O21B . . 119.5(5) y
O21A N21 Co2 . . 120.1(4) y
O21B N21 Co2 . . 120.4(4) y
C22 N22 Co2 . . 108.9(4) n
N22 C22 C23 . . 107.4(5) n
C23 N23 Co2 . . 109.9(4) n
N23 C23 C22 . . 107.1(5) n
N31 Co3 N31 2_666 . 180.0000(10) n
N31 Co3 N32 2_666 2_666 89.6(2) n
N31 Co3 N32 . 2_666 90.4(2) n
N31 Co3 N32 2_666 . 90.4(2) n
N31 Co3 N32 . . 89.6(2) y
N32 Co3 N32 2_666 . 180.0000(10) n
N31 Co3 N33 2_666 . 89.4(2) n
N31 Co3 N33 . . 90.6(2) y
N32 Co3 N33 2_666 . 94.2(2) n
N32 Co3 N33 . . 85.8(2) y
N31 Co3 N33 2_666 2_666 90.6(2) n
N31 Co3 N33 . 2_666 89.4(2) n
N32 Co3 N33 2_666 2_666 85.8(2) n
N32 Co3 N33 . 2_666 94.2(2) n
N33 Co3 N33 . 2_666 180.0 n
O31B N31 O31A . . 119.9(6) n
O31B N31 Co3 . . 120.9(5) n
O31A N31 Co3 . . 119.1(5) n
C32B N32 C32A . . 28.7(6) n
C32B N32 Co3 . . 109.0(6) n
C32A N32 Co3 . . 109.5(6) n
C33 C32A N32 . . 112.0(11) n
C33 C32B N32 . . 109.4(10) n
C33 N33 Co3 . . 109.8(4) n
C32A C33 C32B . . 31.1(7) n
C32A C33 N33 . . 116.8(8) n
C32B C33 N33 . . 116.1(8) n
O11 Cl1 O13 . . 113.5(5) n
O11 Cl1 O12 . . 108.1(5) n
O13 Cl1 O12 . . 108.8(5) n
O11 Cl1 O14B . . 102.5(10) n
O13 Cl1 O14B . . 101.7(10) n
O12 Cl1 O14B . . 122.3(14) n
O11 Cl1 O14A . . 114.1(7) n
O13 Cl1 O14A . . 113.7(6) n
O12 Cl1 O14A . . 97.1(8) n
O14B Cl1 O14A . . 25.2(10) n
O23B Cl2 O24 . . 90.9(15) n
O23B Cl2 O21 . . 124.2(13) n
O24 Cl2 O21 . . 106.5(7) n
O23B Cl2 O22 . . 113.4(10) n
O24 Cl2 O22 . . 108.7(4) n
O21 Cl2 O22 . . 110.1(5) n
O23B Cl2 O23A . . 31.9(11) n
O24 Cl2 O23A . . 121.0(10) n
O21 Cl2 O23A . . 101.8(9) n
O22 Cl2 O23A . . 108.2(7) n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Co1 N12 . 1.945(6) y
Co1 N13 . 1.945(5) y
Co1 N15 . 1.946(5) y
Co1 N14 . 1.957(5) y
Co1 N16 . 1.960(5) y
Co1 N11 . 1.975(5) y
N11 O11B . 1.229(7) y
N11 O11A . 1.232(7) y
N12 O12A . 1.205(8) y
N12 O12D . 1.229(13) n
N12 O12C . 1.258(14) n
N13 C13 . 1.484(9) n
C13 C14 . 1.499(12) n
N14 C14 . 1.469(10) n
N15 C15 . 1.468(10) n
C15 C16 . 1.506(12) n
N16 C16 . 1.491(10) n
Co2 N21 . 1.932(5) y
Co2 N21 2 1.932(5) n
Co2 N23 2 1.947(5) n
Co2 N23 . 1.947(5) y
Co2 N22 . 1.949(5) y
Co2 N22 2 1.949(5) n
N21 O21A . 1.224(7) y
N21 O21B . 1.230(7) y
N22 C22 . 1.486(8) n
C22 C23 . 1.500(9) n
N23 C23 . 1.485(8) n
Co3 N31 2_666 1.924(5) n
Co3 N31 . 1.924(5) y
Co3 N32 2_666 1.950(5) n
Co3 N32 . 1.950(5) y
Co3 N33 . 1.953(5) y
Co3 N33 2_666 1.953(5) n
N31 O31B . 1.229(7) y
N31 O31A . 1.233(8) y
N32 C32B . 1.499(13) n
N32 C32A . 1.502(15) n
C32A C33 . 1.361(16) n
C32B C33 . 1.410(15) n
N33 C33 . 1.444(10) n
Cl1 O11 . 1.398(7) n
Cl1 O13 . 1.409(6) n
Cl1 O12 . 1.411(7) n
Cl1 O14B . 1.42(2) n
Cl1 O14A . 1.477(13) n
Cl2 O23B . 1.35(2) n
Cl2 O24 . 1.405(8) n
Cl2 O21 . 1.411(8) n
Cl2 O22 . 1.438(6) n
Cl2 O23A . 1.448(16) n
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N13 H13A O31A . 0.90 2.08 2.973(7) 170.2
N14 H14A O21A 1_565 0.90 2.17 3.037(8) 161.0
N15 H15A O24 1_665 0.90 2.09 2.969(10) 164.3
