#------------------------------------------------------------------------------
#$Date: 2021-08-21 04:57:30 +0300 (Sat, 21 Aug 2021) $
#$Revision: 268158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/39/2243901.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_2243901
loop_
_publ_author_name
'Buchko, Olha'
'Dyakonenko, Viktoriya'
'Martsinko, Elena'
'Chebanenko, Elena'
_publ_section_title
;
 Crystal structure of bis[cis-diaquabis(phenanthroline)cobalt(II)]
 bis(citrato)germanate(IV) dinitrate
;
_journal_coeditor_code           ZL5018
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S205698902100846X
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac
'[Co (C12 H8 N2)2 (H2 O)2]2 [Ge (C6 H5 O7)2] (N O3)2'
_chemical_formula_moiety
'2(C24 H20 Co N4 O2 2+), C12 H10 Ge O14 2-, 2(N O3 -)'
_chemical_formula_sum            'C60 H50 Co2 Ge N10 O24'
_chemical_formula_weight         1485.55
_chemical_name_systematic
;
Bis[cis-diaquabis(phenanthroline)cobalt(II)] bis(citrato)germanate(IV)
dinitrate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_cell_angle_alpha                105.697(4)
_cell_angle_beta                 94.026(4)
_cell_angle_gamma                104.815(4)
_cell_formula_units_Z            1
_cell_length_a                   10.6719(5)
_cell_length_b                   11.8089(4)
_cell_length_c                   14.0901(7)
_cell_measurement_reflns_used    3558
_cell_measurement_temperature    294.0
_cell_measurement_theta_max      26.0430
_cell_measurement_theta_min      3.5970
_cell_volume                     1633.99(14)
_computing_cell_refinement       'CrysAlisPro (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro (Rigaku OD, 2018)'
_computing_molecular_graphics    'OLEX2 (Dolomanov et al., 2009)'
_computing_publication_material  'OLEX2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL2018/3 (Sheldrick, 2015b)'
_computing_structure_solution    'SHELXT2018/3 (Sheldrick, 2015a)'
_diffrn_ambient_temperature      294.0
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1827
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'Rigaku Oxford Diffraction Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0713
_diffrn_reflns_av_unetI/netI     0.0933
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14229
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         2.906
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.046
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.16723
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPro; Rigaku OD, 2018)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_description       block
_exptl_crystal_F_000             758
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.094
_refine_diff_density_min         -0.870
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     489
_refine_ls_number_reflns         7497
_refine_ls_number_restraints     131
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.0917
_refine_ls_R_factor_gt           0.0683
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0920P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1711
_refine_ls_wR_factor_ref         0.1915
_reflns_number_gt                4949
_reflns_number_total             7497
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            zl5018sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        1633.98(13)
_cod_database_code               2243901
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.623
_shelx_estimated_absorpt_t_max   0.818
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge Ge1 0.500000 1.000000 0.500000 0.03675(17) Uani d 1 . .
Co Co1 0.33663(5) 0.61981(4) 0.77746(4) 0.04432(18) Uani d 1 . .
O O1 0.5174(3) 0.9298(2) 0.6060(2) 0.0458(6) Uani d 1 . .
O O2 0.6415(3) 0.8220(3) 0.6500(2) 0.0586(8) Uani d 1 . .
O O3 0.6711(2) 1.0110(2) 0.4908(2) 0.0425(6) Uani d 1 . .
O O4 0.4470(3) 0.8345(2) 0.4052(2) 0.0491(7) Uani d 1 . .
O O5 0.4742(3) 0.6620(2) 0.3179(2) 0.0542(7) Uani d 1 . .
O O6 0.8227(3) 1.0894(3) 0.7076(3) 0.0752(10) Uani d 1 . .
O O7 1.0212(3) 1.0937(4) 0.6678(3) 0.0905(12) Uani d 1 . .
H H7A 1.046289 1.134511 0.726375 0.136 Uiso calc 1 . .
O O8 0.5332(3) 0.6796(3) 0.7618(3) 0.0618(8) Uani d 1 . .
H H8A 0.574(5) 0.717(5) 0.725(4) 0.093 Uiso d 1 . .
H H8B 0.588(4) 0.655(5) 0.791(4) 0.093 Uiso d 1 . .
O O9 0.3742(4) 0.4581(3) 0.7902(3) 0.0634(8) Uani d 1 . .
H H9A 0.415(4) 0.437(4) 0.745(3) 0.095 Uiso d 1 . .
H H9B 0.306(3) 0.407(4) 0.789(4) 0.095 Uiso d 1 . .
O O10 0.1634(11) 0.2778(14) 0.8150(6) 0.079(2) Uani d 0.688(9) A 1
O O10B 0.186(3) 0.285(3) 0.8413(15) 0.105(6) Uani d 0.312(9) A 2
O O11 0.1943(13) 0.3850(8) 0.9768(7) 0.145(4) Uani d 0.688(9) A 1
O O11B 0.287(2) 0.3400(17) 0.9953(13) 0.154(6) Uani d 0.312(9) A 2
O O12 0.0517(10) 0.2005(10) 0.9183(8) 0.157(4) Uani d 0.688(9) A 1
O O12B 0.072(2) 0.304(2) 0.9734(17) 0.151(5) Uani d 0.312(9) A 2
N N1 0.3167(3) 0.7994(3) 0.7946(2) 0.0457(7) Uani d 1 . .
N N2 0.3626(4) 0.6943(3) 0.9350(2) 0.0506(8) Uani d 1 . .
N N3 0.1305(3) 0.5296(3) 0.7653(3) 0.0479(8) Uani d 1 . .
N N4 0.2778(3) 0.5440(3) 0.6181(2) 0.0461(8) Uani d 1 . .
N N5 0.1351(12) 0.2883(9) 0.9041(7) 0.102(3) Uani d 0.688(9) A 1
N N5B 0.180(2) 0.319(3) 0.9359(18) 0.124(4) Uani d 0.312(9) A 2
C C1 0.6179(4) 0.8863(3) 0.6003(3) 0.0447(9) Uani d 1 . .
C C2 0.7002(4) 0.9130(3) 0.5205(3) 0.0397(8) Uani d 1 . .
C C3 0.6587(4) 0.7976(4) 0.4312(3) 0.0454(9) Uani d 1 . .
H H3A 0.715808 0.809487 0.381935 0.054 Uiso calc 1 . .
H H3B 0.672611 0.729839 0.452798 0.054 Uiso calc 1 . .
C C4 0.5174(4) 0.7610(3) 0.3810(3) 0.0394(8) Uani d 1 . .
C C5 0.8460(4) 0.9469(4) 0.5569(3) 0.0525(10) Uani d 1 . .
H H5A 0.867066 0.874970 0.566046 0.063 Uiso calc 1 . .
H H5B 0.893737 0.970051 0.505709 0.063 Uiso calc 1 . .
C C6 0.8925(5) 1.0500(4) 0.6529(4) 0.0632(12) Uani d 1 . .
C C7 0.3017(4) 0.8521(4) 0.7247(3) 0.0541(10) Uani d 1 . .
H H7 0.299949 0.808312 0.658670 0.065 Uiso calc 1 . .
C C8 0.2886(5) 0.9685(5) 0.7449(5) 0.0770(16) Uani d 1 . .
H H8 0.277307 1.002198 0.693535 0.092 Uiso calc 1 . .
C C9 0.2924(6) 1.0338(5) 0.8411(5) 0.0803(17) Uani d 1 . .
H H9 0.282433 1.112360 0.855452 0.096 Uiso calc 1 . .
C C10 0.3110(6) 0.9843(4) 0.9186(4) 0.0690(14) Uani d 1 . .
C C11 0.3231(4) 0.8637(4) 0.8909(3) 0.0497(10) Uani d 1 . .
C C12 0.3176(7) 1.0460(5) 1.0206(5) 0.092(2) Uani d 1 . .
H H12 0.309794 1.125379 1.039407 0.110 Uiso calc 1 . .
C C13 0.3359(7) 0.9894(5) 1.0937(4) 0.0885(18) Uani d 1 . .
H H13 0.337511 1.030144 1.160419 0.106 Uiso calc 1 . .
C C14 0.3519(5) 0.8692(4) 1.0659(4) 0.0666(13) Uani d 1 . .
C C15 0.3463(4) 0.8074(4) 0.9668(3) 0.0486(9) Uani d 1 . .
C C16 0.3762(6) 0.8107(5) 1.1371(4) 0.0761(15) Uani d 1 . .
H H16 0.379325 0.848450 1.204675 0.091 Uiso calc 1 . .
C C17 0.3953(6) 0.6961(6) 1.1045(4) 0.0787(15) Uani d 1 . .
H H17 0.412778 0.655870 1.149965 0.094 Uiso calc 1 . .
C C18 0.3882(5) 0.6420(5) 1.0041(4) 0.0684(13) Uani d 1 . .
H H18 0.401944 0.564997 0.983189 0.082 Uiso calc 1 . .
C C19 0.0581(5) 0.5253(4) 0.8367(4) 0.0620(12) Uani d 1 . .
H H19 0.093641 0.575016 0.901218 0.074 Uiso calc 1 . .
C C20 -0.0684(5) 0.4500(5) 0.8195(5) 0.0702(13) Uani d 1 . .
H H20 -0.116577 0.450418 0.871997 0.084 Uiso calc 1 . .
C C21 -0.1230(5) 0.3757(5) 0.7271(5) 0.0674(13) Uani d 1 . .
H H21 -0.208339 0.324658 0.715527 0.081 Uiso calc 1 . .
C C22 -0.0488(4) 0.3766(4) 0.6486(4) 0.0531(10) Uani d 1 . .
C C23 0.0781(4) 0.4572(3) 0.6715(3) 0.0440(9) Uani d 1 . .
C C24 -0.0971(5) 0.3013(4) 0.5461(4) 0.0644(13) Uani d 1 . .
H H24 -0.180876 0.246614 0.530428 0.077 Uiso calc 1 . .
C C25 -0.0238(5) 0.3089(4) 0.4742(4) 0.0634(12) Uani d 1 . .
H H25 -0.057055 0.259283 0.409219 0.076 Uiso calc 1 . .
C C26 0.1055(4) 0.3925(4) 0.4953(3) 0.0508(10) Uani d 1 . .
C C27 0.1561(4) 0.4645(3) 0.5929(3) 0.0436(9) Uani d 1 . .
C C28 0.1845(5) 0.4073(4) 0.4225(4) 0.0593(12) Uani d 1 . .
H H28 0.154207 0.361152 0.356240 0.071 Uiso calc 1 . .
C C29 0.3026(5) 0.4868(4) 0.4473(4) 0.0642(12) Uani d 1 . .
H H29 0.355017 0.497089 0.398522 0.077 Uiso calc 1 . .
C C30 0.3479(5) 0.5546(4) 0.5458(3) 0.0555(10) Uani d 1 . .
H H30 0.431305 0.610072 0.561765 0.067 Uiso calc 1 . .
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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'
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
O1 Ge1 O1 2_676 . 180.0 ?
O1 Ge1 O4 2_676 2_676 89.08(12) ?
O1 Ge1 O4 . 2_676 90.92(12) y
O1 Ge1 O4 2_676 . 90.92(12) ?
O1 Ge1 O4 . . 89.08(12) y
O3 Ge1 O1 . 2_676 92.43(11) y
O3 Ge1 O1 2_676 2_676 87.57(11) ?
O3 Ge1 O1 . . 87.58(11) y
O3 Ge1 O1 2_676 . 92.43(11) ?
O3 Ge1 O3 2_676 . 180.0 ?
O3 Ge1 O4 2_676 2_676 90.60(11) ?
O3 Ge1 O4 . 2_676 89.40(11) y
O3 Ge1 O4 2_676 . 89.40(11) ?
O3 Ge1 O4 . . 90.60(11) y
O4 Ge1 O4 . 2_676 180.0 ?
O8 Co1 O9 . . 86.92(13) y
O8 Co1 N1 . . 90.75(13) y
O8 Co1 N2 . . 96.54(14) y
O8 Co1 N3 . . 168.28(14) ?
O8 Co1 N4 . . 92.07(14) y
O9 Co1 N1 . . 168.62(14) ?
O9 Co1 N2 . . 91.13(13) y
O9 Co1 N3 . . 88.06(13) y
O9 Co1 N4 . . 92.60(13) y
N1 Co1 N3 . . 96.18(12) y
N1 Co1 N4 . . 98.61(12) y
N2 Co1 N1 . . 78.06(12) y
N2 Co1 N3 . . 94.13(14) y
N2 Co1 N4 . . 170.78(13) ?
N3 Co1 N4 . . 77.58(13) y
C1 O1 Ge1 . . 109.6(2) ?
C2 O3 Ge1 . . 107.7(2) ?
C4 O4 Ge1 . . 127.8(3) ?
C6 O7 H7A . . 109.5 ?
Co1 O8 H8A . . 134(3) ?
Co1 O8 H8B . . 118(3) ?
H8A O8 H8B . . 107(3) ?
Co1 O9 H9A . . 106(3) ?
Co1 O9 H9B . . 110(4) ?
H9A O9 H9B . . 114(3) ?
C7 N1 Co1 . . 128.3(3) ?
C7 N1 C11 . . 118.9(4) ?
C11 N1 Co1 . . 112.8(3) ?
C15 N2 Co1 . . 114.3(3) ?
C18 N2 Co1 . . 128.2(3) ?
C18 N2 C15 . . 117.5(4) ?
C19 N3 Co1 . . 128.8(3) ?
C19 N3 C23 . . 118.5(4) ?
C23 N3 Co1 . . 112.2(3) ?
C27 N4 Co1 . . 112.8(3) ?
C30 N4 Co1 . . 129.2(3) ?
C30 N4 C27 . . 117.6(4) ?
O11 N5 O10 . . 120.7(11) ?
O12 N5 O10 . . 118.2(10) ?
O12 N5 O11 . . 121.1(10) ?
O10B N5B O12B . . 124(3) ?
O11B N5B O10B . . 116.8(15) ?
O11B N5B O12B . . 117(2) ?
O1 C1 C2 . . 115.1(3) ?
O2 C1 O1 . . 123.4(4) ?
O2 C1 C2 . . 121.4(3) ?
O3 C2 C1 . . 109.2(3) ?
O3 C2 C3 . . 108.5(3) ?
O3 C2 C5 . . 109.4(3) ?
C3 C2 C1 . . 106.9(3) ?
C5 C2 C1 . . 112.1(3) ?
C5 C2 C3 . . 110.6(3) ?
C2 C3 H3A . . 108.3 ?
C2 C3 H3B . . 108.3 ?
H3A C3 H3B . . 107.4 ?
C4 C3 C2 . . 115.8(3) ?
C4 C3 H3A . . 108.3 ?
C4 C3 H3B . . 108.3 ?
O4 C4 C3 . . 119.9(3) ?
O5 C4 O4 . . 121.5(4) ?
O5 C4 C3 . . 118.6(3) ?
C2 C5 H5A . . 108.7 ?
C2 C5 H5B . . 108.7 ?
H5A C5 H5B . . 107.6 ?
C6 C5 C2 . . 114.2(3) ?
C6 C5 H5A . . 108.7 ?
C6 C5 H5B . . 108.7 ?
O6 C6 O7 . . 124.1(5) ?
O6 C6 C5 . . 125.0(4) ?
O7 C6 C5 . . 110.9(4) ?
N1 C7 H7 . . 118.5 ?
N1 C7 C8 . . 123.0(5) ?
C8 C7 H7 . . 118.5 ?
C7 C8 H8 . . 120.5 ?
C9 C8 C7 . . 119.0(5) ?
C9 C8 H8 . . 120.5 ?
C8 C9 H9 . . 119.6 ?
C8 C9 C10 . . 120.8(4) ?
C10 C9 H9 . . 119.6 ?
C9 C10 C11 . . 116.4(5) ?
C9 C10 C12 . . 124.6(5) ?
C12 C10 C11 . . 119.0(5) ?
N1 C11 C10 . . 121.9(4) ?
N1 C11 C15 . . 118.3(3) ?
C10 C11 C15 . . 119.8(4) ?
C10 C12 H12 . . 119.6 ?
C13 C12 C10 . . 120.9(5) ?
C13 C12 H12 . . 119.6 ?
C12 C13 H13 . . 120.0 ?
C12 C13 C14 . . 120.0(5) ?
C14 C13 H13 . . 120.0 ?
C15 C14 C13 . . 120.1(5) ?
C15 C14 C16 . . 117.9(4) ?
C16 C14 C13 . . 122.0(5) ?
N2 C15 C11 . . 116.4(4) ?
N2 C15 C14 . . 123.4(4) ?
C14 C15 C11 . . 120.2(4) ?
C14 C16 H16 . . 120.7 ?
C17 C16 C14 . . 118.5(5) ?
C17 C16 H16 . . 120.7 ?
C16 C17 H17 . . 120.3 ?
C18 C17 C16 . . 119.3(5) ?
C18 C17 H17 . . 120.3 ?
N2 C18 C17 . . 123.3(5) ?
N2 C18 H18 . . 118.3 ?
C17 C18 H18 . . 118.3 ?
N3 C19 H19 . . 118.7 ?
N3 C19 C20 . . 122.5(5) ?
C20 C19 H19 . . 118.7 ?
C19 C20 H20 . . 119.7 ?
C21 C20 C19 . . 120.5(5) ?
C21 C20 H20 . . 119.7 ?
C20 C21 H21 . . 120.5 ?
C20 C21 C22 . . 118.9(4) ?
C22 C21 H21 . . 120.5 ?
C21 C22 C24 . . 124.0(4) ?
C23 C22 C21 . . 117.3(4) ?
C23 C22 C24 . . 118.7(4) ?
N3 C23 C22 . . 122.3(4) ?
N3 C23 C27 . . 118.4(3) ?
C22 C23 C27 . . 119.3(4) ?
C22 C24 H24 . . 119.3 ?
C25 C24 C22 . . 121.3(4) ?
C25 C24 H24 . . 119.3 ?
C24 C25 H25 . . 119.5 ?
C24 C25 C26 . . 121.0(4) ?
C26 C25 H25 . . 119.5 ?
C27 C26 C25 . . 119.4(4) ?
C27 C26 C28 . . 117.2(4) ?
C28 C26 C25 . . 123.4(4) ?
N4 C27 C23 . . 117.3(3) ?
N4 C27 C26 . . 122.4(4) ?
C26 C27 C23 . . 120.2(4) ?
C26 C28 H28 . . 119.9 ?
C29 C28 C26 . . 120.1(4) ?
C29 C28 H28 . . 119.9 ?
C28 C29 H29 . . 120.0 ?
C28 C29 C30 . . 119.9(5) ?
C30 C29 H29 . . 120.0 ?
N4 C30 C29 . . 122.7(4) ?
N4 C30 H30 . . 118.7 ?
C29 C30 H30 . . 118.7 ?
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
Ge1 O1 2_676 1.914(3) ?
Ge1 O1 . 1.914(3) y
Ge1 O3 2_676 1.813(2) ?
Ge1 O3 . 1.813(2) y
Ge1 O4 2_676 1.959(3) ?
Ge1 O4 . 1.959(3) y
Co1 O8 . 2.083(3) y
Co1 O9 . 2.100(3) y
Co1 N1 . 2.136(3) y
Co1 N2 . 2.123(3) y
Co1 N3 . 2.157(4) y
Co1 N4 . 2.159(3) y
O1 C1 . 1.301(4) ?
O2 C1 . 1.221(4) ?
O3 C2 . 1.429(4) ?
O4 C4 . 1.282(4) ?
O5 C4 . 1.214(4) ?
O6 C6 . 1.196(5) ?
O7 H7A . 0.8200 ?
O7 C6 . 1.317(6) ?
O8 H8A . 0.839(19) ?
O8 H8B . 0.846(19) ?
O9 H9A . 0.821(17) ?
O9 H9B . 0.815(19) ?
O10 N5 . 1.292(10) ?
O10B N5B . 1.294(14) ?
O11 N5 . 1.288(10) ?
O11B N5B . 1.292(14) ?
O12 N5 . 1.253(10) ?
O12B N5B . 1.295(14) ?
N1 C7 . 1.321(5) ?
N1 C11 . 1.351(5) ?
N2 C15 . 1.349(5) ?
N2 C18 . 1.334(5) ?
N3 C19 . 1.314(5) ?
N3 C23 . 1.353(5) ?
N4 C27 . 1.351(5) ?
N4 C30 . 1.321(5) ?
C1 C2 . 1.524(5) ?
C2 C3 . 1.524(5) ?
C2 C5 . 1.518(5) ?
C3 H3A . 0.9700 ?
C3 H3B . 0.9700 ?
C3 C4 . 1.521(5) ?
C5 H5A . 0.9700 ?
C5 H5B . 0.9700 ?
C5 C6 . 1.505(6) ?
C7 H7 . 0.9300 ?
C7 C8 . 1.372(6) ?
C8 H8 . 0.9300 ?
C8 C9 . 1.357(8) ?
C9 H9 . 0.9300 ?
C9 C10 . 1.396(7) ?
C10 C11 . 1.414(6) ?
C10 C12 . 1.411(8) ?
C11 C15 . 1.442(6) ?
C12 H12 . 0.9300 ?
C12 C13 . 1.399(9) ?
C13 H13 . 0.9300 ?
C13 C14 . 1.425(7) ?
C14 C15 . 1.378(6) ?
C14 C16 . 1.408(7) ?
C16 H16 . 0.9300 ?
C16 C17 . 1.378(7) ?
C17 H17 . 0.9300 ?
C17 C18 . 1.374(7) ?
C18 H18 . 0.9300 ?
C19 H19 . 0.9300 ?
C19 C20 . 1.376(7) ?
C20 H20 . 0.9300 ?
C20 C21 . 1.348(8) ?
C21 H21 . 0.9300 ?
C21 C22 . 1.405(7) ?
C22 C23 . 1.399(6) ?
C22 C24 . 1.452(7) ?
C23 C27 . 1.440(5) ?
C24 H24 . 0.9300 ?
C24 C25 . 1.331(7) ?
C25 H25 . 0.9300 ?
C25 C26 . 1.433(7) ?
C26 C27 . 1.391(6) ?
C26 C28 . 1.392(6) ?
C28 H28 . 0.9300 ?
C28 C29 . 1.322(7) ?
C29 H29 . 0.9300 ?
C29 C30 . 1.381(6) ?
C30 H30 . 0.9300 ?
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
_geom_hbond_publ_flag
O7 H7A O10 1_665 0.82 1.88 2.600(12) 145.7 yes
O8 H8A O2 . 0.839(19) 1.88(2) 2.709(4) 168(5) yes
O9 H9A O5 2_666 0.821(17) 1.958(18) 2.701(4) 150(4) yes
O9 H9B O10 . 0.815(19) 1.99(3) 2.789(15) 166(6) yes
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Ge1 O1 C1 O2 . . . . -169.8(3) ?
Ge1 O1 C1 C2 . . . . 5.7(4) ?
Ge1 O3 C2 C1 . . . . -32.7(3) ?
Ge1 O3 C2 C3 . . . . 83.5(3) ?
Ge1 O3 C2 C5 . . . . -155.8(3) ?
Ge1 O4 C4 O5 . . . . -177.0(3) ?
Ge1 O4 C4 C3 . . . . 2.6(5) ?
Co1 N1 C7 C8 . . . . 179.4(4) ?
Co1 N1 C11 C10 . . . . -179.4(4) ?
Co1 N1 C11 C15 . . . . 2.1(5) ?
Co1 N2 C15 C11 . . . . -4.1(5) ?
Co1 N2 C15 C14 . . . . 176.5(4) ?
Co1 N2 C18 C17 . . . . -175.9(4) ?
Co1 N3 C19 C20 . . . . -170.6(3) ?
Co1 N3 C23 C22 . . . . 170.9(3) ?
Co1 N3 C23 C27 . . . . -9.5(4) ?
Co1 N4 C27 C23 . . . . 9.6(4) ?
Co1 N4 C27 C26 . . . . -171.0(3) ?
Co1 N4 C30 C29 . . . . 170.5(3) ?
O1 Ge1 O3 C2 2_676 . . . -149.9(2) ?
O1 Ge1 O3 C2 . . . . 30.1(2) ?
O1 C1 C2 O3 . . . . 17.6(4) ?
O1 C1 C2 C3 . . . . -99.6(4) ?
O1 C1 C2 C5 . . . . 139.1(3) ?
O2 C1 C2 O3 . . . . -166.8(4) ?
O2 C1 C2 C3 . . . . 76.0(5) ?
O2 C1 C2 C5 . . . . -45.3(5) ?
O3 C2 C3 C4 . . . . -54.0(4) ?
O3 C2 C5 C6 . . . . 68.0(5) ?
O4 Ge1 O3 C2 . . . . -59.0(2) ?
O4 Ge1 O3 C2 2_676 . . . 121.0(2) ?
N1 C7 C8 C9 . . . . 0.7(8) ?
N1 C11 C15 N2 . . . . 1.4(6) ?
N1 C11 C15 C14 . . . . -179.2(4) ?
N3 C19 C20 C21 . . . . 0.7(8) ?
N3 C23 C27 N4 . . . . 0.0(5) ?
N3 C23 C27 C26 . . . . -179.4(3) ?
C1 C2 C3 C4 . . . . 63.7(4) ?
C1 C2 C5 C6 . . . . -53.3(5) ?
C2 C3 C4 O4 . . . . 9.6(5) ?
C2 C3 C4 O5 . . . . -170.7(3) ?
C2 C5 C6 O6 . . . . 13.3(7) ?
C2 C5 C6 O7 . . . . -165.2(4) ?
C3 C2 C5 C6 . . . . -172.5(4) ?
C5 C2 C3 C4 . . . . -174.0(3) ?
C7 N1 C11 C10 . . . . 1.6(6) ?
C7 N1 C11 C15 . . . . -176.9(4) ?
C7 C8 C9 C10 . . . . 0.8(9) ?
C8 C9 C10 C11 . . . . -1.0(9) ?
C8 C9 C10 C12 . . . . 179.3(6) ?
C9 C10 C11 N1 . . . . -0.2(7) ?
C9 C10 C11 C15 . . . . 178.3(5) ?
C9 C10 C12 C13 . . . . 179.6(6) ?
C10 C11 C15 N2 . . . . -177.1(4) ?
C10 C11 C15 C14 . . . . 2.3(7) ?
C10 C12 C13 C14 . . . . 1.9(11) ?
C11 N1 C7 C8 . . . . -1.9(7) ?
C11 C10 C12 C13 . . . . 0.0(10) ?
C12 C10 C11 N1 . . . . 179.5(5) ?
C12 C10 C11 C15 . . . . -2.0(8) ?
C12 C13 C14 C15 . . . . -1.6(10) ?
C12 C13 C14 C16 . . . . 177.2(6) ?
C13 C14 C15 N2 . . . . 178.9(5) ?
C13 C14 C15 C11 . . . . -0.4(8) ?
C13 C14 C16 C17 . . . . -177.7(6) ?
C14 C16 C17 C18 . . . . -0.9(9) ?
C15 N2 C18 C17 . . . . 1.7(8) ?
C15 C14 C16 C17 . . . . 1.1(9) ?
C16 C14 C15 N2 . . . . 0.1(8) ?
C16 C14 C15 C11 . . . . -179.3(5) ?
C16 C17 C18 N2 . . . . -0.5(9) ?
C18 N2 C15 C11 . . . . 178.0(4) ?
C18 N2 C15 C14 . . . . -1.5(7) ?
C19 N3 C23 C22 . . . . -1.4(5) ?
C19 N3 C23 C27 . . . . 178.2(3) ?
C19 C20 C21 C22 . . . . -0.2(7) ?
C20 C21 C22 C23 . . . . -1.0(6) ?
C20 C21 C22 C24 . . . . -179.7(4) ?
C21 C22 C23 N3 . . . . 1.8(6) ?
C21 C22 C23 C27 . . . . -177.8(3) ?
C21 C22 C24 C25 . . . . 177.8(4) ?
C22 C23 C27 N4 . . . . 179.6(3) ?
C22 C23 C27 C26 . . . . 0.2(5) ?
C22 C24 C25 C26 . . . . -0.3(7) ?
C23 N3 C19 C20 . . . . 0.1(6) ?
C23 C22 C24 C25 . . . . -0.9(6) ?
C24 C22 C23 N3 . . . . -179.4(3) ?
C24 C22 C23 C27 . . . . 1.0(5) ?
C24 C25 C26 C27 . . . . 1.5(6) ?
C24 C25 C26 C28 . . . . -177.7(4) ?
C25 C26 C27 N4 . . . . 179.2(3) ?
C25 C26 C27 C23 . . . . -1.4(5) ?
C25 C26 C28 C29 . . . . 179.5(4) ?
C26 C28 C29 C30 . . . . 0.5(7) ?
C27 N4 C30 C29 . . . . -1.1(6) ?
C27 C26 C28 C29 . . . . 0.3(6) ?
C28 C26 C27 N4 . . . . -1.6(5) ?
C28 C26 C27 C23 . . . . 177.8(3) ?
C28 C29 C30 N4 . . . . -0.1(7) ?
C30 N4 C27 C23 . . . . -177.4(3) ?
C30 N4 C27 C26 . . . . 2.0(5) ?

_cod_database_fobs_code 2243901
