#------------------------------------------------------------------------------
#$Date: 2022-05-10 12:50:13 +0300 (Tue, 10 May 2022) $
#$Revision: 275301 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/09/7010970.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_7010970
loop_
_publ_author_name
'Kitano, Tsuyoshi'
'Sohrin, Yoshiki'
'Hata, Yasuo'
'Kawakami, Hitoshi'
'Hori, Takeyoshi'
'Ueda, Kazumasa'
_publ_section_title
;
 Selectivity of sterically efficient [HB(pz)3]- and crowded [B(pz)4]-
 for first-series transition metals and Cd
;
_journal_coden_ASTM              JCSDAA
_journal_issue                   24
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3564
_journal_page_last               3571
_journal_paper_doi               10.1039/b106006f
_journal_year                    2001
_chemical_formula_sum            'C18 H20 B2 Mn'
_chemical_formula_weight         480.99
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             'Tue May 2 15:05:36 2001'
_audit_creation_method           'from TEXRAY. INF file'
_cell_angle_alpha                90
_cell_angle_beta                 111.352(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.968(2)
_cell_length_b                   13.709(2)
_cell_length_c                   19.045(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      34.3
_cell_measurement_theta_min      29.0
_cell_volume                     4612.4(10)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device       'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      -0.02476
_diffrn_orient_matrix_UB_12      -0.01643
_diffrn_orient_matrix_UB_13      0.03673
_diffrn_orient_matrix_UB_21      -0.04997
_diffrn_orient_matrix_UB_22      0.02131
_diffrn_orient_matrix_UB_23      -0.03744
_diffrn_orient_matrix_UB_31      -0.00971
_diffrn_orient_matrix_UB_32      -0.06780
_diffrn_orient_matrix_UB_33      -0.02067
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  Ni-filtered
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            4250
_diffrn_reflns_reduction_process 'Lp correction applied'
_diffrn_reflns_theta_max         70.11
_diffrn_reflns_theta_min         4.08
_diffrn_standards_decay_%        -1.40
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.929
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.398
_exptl_absorpt_correction_type   '\y scans '
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1976.00
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.79
_refine_diff_density_min         -0.64
_refine_ls_extinction_coef       0.018(1)
_refine_ls_goodness_of_fit_obs   1.586
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     300
_refine_ls_number_reflns         2644
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0662
_refine_ls_shift/esd_max         0.0110
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00063Fo²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0828
_reflns_number_observed          2644
_reflns_number_total             4134
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            b106006f.txt
_cod_data_source_block           '[HB(pz)3]2Mn'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[?/fontfamily>s^2^(Fo) +
0.00063Fo^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[?/fontfamily>s^2^(Fo) + 0.00063Fo^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4612(1)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7010970
#BEGIN Tags that were not found in dictionaries:
_diffrn_reflns_av_sigmai_/neti   0.104
_refine_ls_shift/esd_min         0.0030
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, 1/2-z'
'-x, -y, -z '
'x, -y, 1/2+z '
'1/2+x, 1/2+y, z'
'1/2-x, 1/2+y, 1/2-z'
'1/2-x, 1/2-y, -z'
'1/2+x, 1/2-y, 1/2+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_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
_atom_site_refinement_flags
Mn(1) 0.0000 0.1650(1) 0.2500 0.0397(3) Uani d . 0.50 S
Mn(2) 0.0000 0.6727(1) 0.2500 0.0442(4) Unai d . 0.50 S
N(1) 0.0701(2) 0.0609(4) 0.3408(3) 0.046(1) Unai d . 1.00 .
N(2) 0.1467(2) 0.0791(3) 0.3715(2) 0.043(1) Unai d . 1.00 .
N(3) 0.0964(2) 0.1612(4) 0.2121(2) 0.046(1) Unai d . 1.00 .
N(4) 0.1685(2) 0.1661(4) 0.2637(2) 0.043(1) Unai d . 1.00 .
N(5) 0.0694(2) 0.2755(4) 0.3359(3) 0.046(1) Unai d . 1.00 .
N(6) 0.1459(2) 0.2604(4) 0.3674(3) 0.044(1) Unai d . 1.00 .
N(7) -0.0745(3) 0.6718(4) 0.1289(3) 0.054(1) Unai d . 1.00 .
N(8) -0.0425(3) 0.6731(4) 0.0766(2) 0.050(1) Unai d . 1.00 .
N(9) 0.0716(3) 0.7806(4) 0.2132(3) 0.050(2) Unai d . 1.00 .
N(10) 0.0772(3) 0.7653(4) 0.1452(3) 0.049(1) Unai d . 1.00 .
N(11) 0.0717(3) 0.5666(4) 0.2129(3) 0.047(1) Unai d . 1.00 .
N(12) 0.0785(3) 0.5837(4) 0.1450(3) 0.047(1) Unai d . 1.00 .
C(1) 0.0573(4) -0.0125(5) 0.3788(3) 0.055(2) Unai d . 1.00 .
C(2) 0.1235(4) -0.0454(5) 0.4333(4) 0.067(2) Unai d . 1.00 .
C(3) 0.1784(4) 0.0144(5) 0.4273(3) 0.059(2) Unai d . 1.00 .
C(4) 0.1033(3) 0.1612(6) 0.1455(3) 0.056(2) Unai d . 1.00 .
C(5) 0.1781(4) 0.1639(6) 0.1527(4) 0.065(2) Unai d . 1.00 .
C(6) 0.2180(3) 0.1658(5) 0.2292(3) 0.053(2) Unai d . 1.00 .
C(7) 0.0555(4) 0.3529(5) 0.3693(3) 0.053(2) Unai d . 1.00 .
C(8) 0.1218(4) 0.3908(5) 0.4217(3) 0.059(2) Unai d . 1.00 .
C(9) 0.1775(3) 0.3299(5) 0.4186(3) 0.049(2) Unai d . 1.00 .
C(10) -0.1489(3) 0.6695(6) 0.0927(4) 0.063(2) Unai d . 1.00 .
C(11) -0.1666(4) 0.6692(5) 0.0148(4) 0.064(2) Unai d . 1.00 .
C(12) -0.0975(4) 0.6720(5) 0.0068(3) 0.057(2) Unai d . 1.00 .
C(13) 0.1126(4) 0.8582(5) 0.2420(4) 0.062(2) Unai d . 1.00 .
C(14) 0.1447(4) 0.8950(6) 0.1939(5) 0.076(3) Unai d . 1.00 .
C(15) 0.1219(4) 0.8347(6) 0.1329(4) 0.062(2) Unai d . 1.00 .
C(16) 0.1132(4) 0.4880(5) 0.2403(4) 0.057(2) Unai d . 1.00 .
C(17) 0.1472(4) 0.4518(5) 0.1927(4) 0.063(2) Unai d . 1.00 .
C(18) 0.1235(3) 0.5158(5) 0.1324(4) 0.057(2) Unai d . 1.00 .
B(1) 0.1828(3) 0.1685(6) 0.3490(3) 0.043(2) Unai d . 1.00 .
B(2) 0.0440(4) 0.6743(6) 0.0983(4) 0.048(2) Unai d . 1.00 .
H(1) 0.0065 -0.0392 0.3697 0.0600 Uiso calc . 1.00 .
H(2) 0.1304 -0.1012 0.4704 0.0749 Uiso calc . 1.00 .
H(3) 0.2334 0.0119 0.4579 0.0579 Uiso calc . 1.00 .
H(4) 0.0611 0.1580 0.0967 0.0579 Uiso calc . 1.00 .
H(5) 0.2001 0.1635 0.1123 0.0707 Uiso calc . 1.00 .
H(6) 0.2727 0.1670 0.2539 0.0542 Uiso calc . 1.00 .
H(7) 0.0041 0.3789 0.3587 0.0542 Uiso calc . 1.00 .
H(8) 0.1273 0.4505 0.4528 0.0634 Uiso calc . 1.00 .
H(9) 0.2321 0.3354 0.4487 0.0506 Uiso calc . 1.00 .
H(10) -0.1875 0.6688 0.1161 0.0672 Uiso calc . 1.00 .
H(11) -0.2166 0.6679 -0.0264 0.0642 Uiso calc . 1.00 .
H(12) -0.0887 0.6720 -0.0415 0.0641 Uiso calc . 1.00 .
H(13) 0.1198 0.8849 0.2928 0.0692 Uiso calc . 1.00 .
H(14) 0.1773 0.9528 0.2005 0.0845 Uiso calc . 1.00 .
H(15) 0.1336 0.8382 0.0855 0.0673 Uiso calc . 1.00 .
H(16) 0.1202 0.4597 0.2898 0.0633 Uiso calc . 1.00 .
H(17) 0.1799 0.3925 0.1982 0.0699 Uiso calc . 1.00 .
H(18) 0.1367 0.5142 0.0864 0.0654 Uiso calc . 1.00 .
H(19) 0.2367 0.1689 0.3779 0.0427 Uiso calc . 1.00 .
H(20) 0.0557 0.6742 0.0521 0.0462 Uiso calc . 1.00 .
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mn 0 8 0.530 2.805
; International Tables for Crystallography
(1992, Vol. C, Tables 4. 2. 6. 8 and 6. 1. 1. 1)
;
C 0 144 0.018 0.009
; International Tables for Crystallography
(1992, Vol. C, Tables 4. 2. 6. 8 and 6. 1. 1. 1)
;
H 0 160 0.000 0.000
; International Tables for Crystallography
(1992, Vol. C, Tables 6. 1. 1. 2)
;
N 0 96 0.031 0.018
; International Tables for Crystallography
(1992, Vol. C, Tables 4. 2. 6. 8 and 6. 1. 1. 1)
;
B 0 16 0.009 0.004
; International Tables for Crystallography
(1992, Vol. C, Tables 4. 2. 6. 8 and 6. 1. 1. 1)
;
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N(1) Mn(1) N(1) 101.8(2) 1_555 1_555 2_555 yes
N(1) Mn(1) N(3) 84.7(2) 1_555 1_555 1_555 yes
N(1) Mn(1) N(3) 93.6(2) 1_555 1_555 2_555 yes
N(1) Mn(1) N(5) 81.0(2) 1_555 1_555 1_555 yes
N(1) Mn(1) N(5) 176.8(2) 1_555 1_555 2_555 yes
N(1) Mn(1) N(3) 93.6(2) 2_555 1_555 1_555 yes
N(1) Mn(1) N(3) 84.7(2) 2_555 1_555 2_555 yes
N(1) Mn(1) N(5) 176.8(2) 2_555 1_555 1_555 yes
N(1) Mn(1) N(5) 81.0(2) 2_555 1_555 2_555 yes
N(3) Mn(1) N(3) 177.3(3) 1_555 1_555 2_555 yes
N(3) Mn(1) N(5) 85.3(2) 1_555 1_555 1_555 yes
N(3) Mn(1) N(5) 96.5(2) 1_555 1_555 2_555 yes
N(3) Mn(1) N(5) 96.5(2) 2_555 1_555 1_555 yes
N(3) Mn(1) N(5) 85.3(2) 2_555 1_555 2_555 yes
N(5) Mn(1) N(5) 96.1(2) 1_555 1_555 2_555 yes
N(7) Mn(2) N(7) 179.4(3) 1_555 1_555 2_555 yes
N(7) Mn(2) N(9) 84.8(2) 1_555 1_555 1_555 yes
N(7) Mn(2) N(9) 95.6(2) 1_555 1_555 2_555 yes
N(7) Mn(2) N(11) 84.3(2) 1_555 1_555 1_555 yes
N(7) Mn(2) N(11) 95.3(2) 1_555 1_555 2_555 yes
N(7) Mn(2) N(9) 95.6(2) 2_555 1_555 1_555 yes
N(7) Mn(2) N(9) 84.8(2) 2_555 1_555 2_555 yes
N(7) Mn(2) N(11) 95.3(2) 2_555 1_555 1_555 yes
N(7) Mn(2) N(11) 84.3(2) 2_555 1_555 2_555 yes
N(9) Mn(2) N(9) 99.2(3) 1_555 1_555 2_555 yes
N(9) Mn(2) N(11) 80.2(2) 1_555 1_555 1_555 yes
N(9) Mn(2) N(11) 179.4(2) 1_555 1_555 2_555 yes
N(9) Mn(2) N(11) 179.4(2) 2_555 1_555 1_555 yes
N(9) Mn(2) N(11) 80.2(2) 2_555 1_555 2_555 yes
N(11) Mn(2) N(11) 100.4(2) 1_555 1_555 2_555 yes
Mn(1) N(1) N(2) 116.5(3) 1_555 1_555 1_555 yes
Mn(1) N(1) C(1) 136.7(4) 1_555 1_555 1_555 yes
N(2) N(1) C(1) 106.5(5) 1_555 1_555 1_555 yes
N(1) N(2) C(3) 108.3(5) 1_555 1_555 1_555 yes
N(1) N(2) B(1) 122.2(4) 1_555 1_555 1_555 yes
C(3) N(2) B(1) 129.0(5) 1_555 1_555 1_555 yes
Mn(1) N(3) N(4) 120.0(3) 1_555 1_555 1_555 yes
Mn(1) N(3) C(4) 134.4(4) 1_555 1_555 1_555 yes
N(4) N(3) C(4) 105.4(4) 1_555 1_555 1_555 yes
N(3) N(4) C(6) 110.4(4) 1_555 1_555 1_555 yes
N(3) N(4) B(1) 119.9(4) 1_555 1_555 1_555 yes
C(6) N(4) B(1) 129.7(4) 1_555 1_555 1_555 yes
Mn(1) N(5) N(6) 117.5(4) 1_555 1_555 1_555 yes
Mn(1) N(5) C(7) 136.3(4) 1_555 1_555 1_555 yes
N(6) N(5) C(7) 106.1(5) 1_555 1_555 1_555 yes
N(5) N(6) C(9) 109.5(5) 1_555 1_555 1_555 yes
N(5) N(6) B(1) 121.2(4) 1_555 1_555 1_555 yes
C(9) N(6) B(1) 128.9(4) 1_555 1_555 1_555 yes
Mn(2) N(7) N(8) 118.9(3) 1_555 1_555 1_555 yes
Mn(2) N(7) C(10) 133.8(4) 1_555 1_555 1_555 yes
N(8) N(7) C(10) 107.3(4) 1_555 1_555 1_555 yes
N(7) N(8) C(12) 109.5(5) 1_555 1_555 1_555 yes
N(7) N(8) B(2) 121.7(4) 1_555 1_555 1_555 yes
C(12) N(8) B(2) 128.8(5) 1_555 1_555 1_555 yes
Mn(2) N(9) N(10) 117.0(4) 1_555 1_555 1_555 yes
Mn(2) N(9) C(13) 136.3(4) 1_555 1_555 1_555 yes
N(10) N(9) C(13) 106.7(5) 1_555 1_555 1_555 yes
N(9) N(10) C(15) 109.1(5) 1_555 1_555 1_555 yes
N(9) N(10) B(2) 121.7(4) 1_555 1_555 1_555 yes
C(15) N(10) B(2) 128.8(5) 1_555 1_555 1_555 yes
Mn(2) N(11) N(12) 117.2(3) 1_555 1_555 1_555 yes
Mn(2) N(11) C(16) 137.3(4) 1_555 1_555 1_555 yes
N(12) N(11) C(16) 105.5(5) 1_555 1_555 1_555 yes
N(11) N(12) C(18) 109.5(5) 1_555 1_555 1_555 yes
N(11) N(12) B(2) 121.5(4) 1_555 1_555 1_555 yes
C(18) N(12) B(2) 128.8(5) 1_555 1_555 1_555 yes
N(1) C(1) C(2) 111.3(6) 1_555 1_555 1_555 yes
N(1) C(1) H(1) 123.8(6) 1_555 1_555 1_555 no
C(2) C(1) H(1) 124.9(6) 1_555 1_555 1_555 no
C(1) C(2) C(3) 104.6(5) 1_555 1_555 1_555 yes
C(1) C(2) H(2) 128.4(7) 1_555 1_555 1_555 no
C(3) C(2) H(2) 127.0(7) 1_555 1_555 1_555 no
N(2) C(3) C(2) 109.2(5) 1_555 1_555 1_555 yes
N(2) C(3) H(3) 123.9(6) 1_555 1_555 1_555 no
C(2) C(3) H(3) 126.9(6) 1_555 1_555 1_555 no
N(3) C(4) C(5) 111.4(5) 1_555 1_555 1_555 yes
N(3) C(4) H(4) 125.2(5) 1_555 1_555 1_555 no
C(5) C(4) H(4) 123.4(6) 1_555 1_555 1_555 no
C(4) C(5) C(6) 104.7(5) 1_555 1_555 1_555 yes
C(4) C(5) H(5) 128.9(6) 1_555 1_555 1_555 no
C(6) C(5) H(5) 126.4(6) 1_555 1_555 1_555 no
N(4) C(6) C(5) 108.1(5) 1_555 1_555 1_555 yes
N(4) C(6) H(6) 125.5(6) 1_555 1_555 1_555 no
C(5) C(6) H(6) 126.4(6) 1_555 1_555 1_555 no
N(5) C(7) C(8) 111.2(5) 1_555 1_555 1_555 yes
N(5) C(7) H(7) 123.4(6) 1_555 1_555 1_555 no
C(8) C(7) H(7) 125.4(6) 1_555 1_555 1_555 no
C(7) C(8) C(9) 104.6(5) 1_555 1_555 1_555 yes
C(7) C(8) H(8) 127.5(7) 1_555 1_555 1_555 no
C(9) C(8) H(8) 127.9(7) 1_555 1_555 1_555 no
N(6) C(9) C(8) 108.6(5) 1_555 1_555 1_555 yes
N(6) C(9) H(9) 124.9(6) 1_555 1_555 1_555 no
C(8) C(9) H(9) 126.5(6) 1_555 1_555 1_555 no
N(7) C(10) C(11) 110.3(5) 1_555 1_555 1_555 yes
N(7) C(10) H(10) 126.3(6) 1_555 1_555 1_555 no
C(11) C(10) H(10) 123.3(6) 1_555 1_555 1_555 no
C(10) C(11) C(12) 104.4(5) 1_555 1_555 1_555 yes
C(10) C(11) H(11) 129.2(7) 1_555 1_555 1_555 no
C(12) C(11) H(11) 126.4(7) 1_555 1_555 1_555 no
N(8) C(12) C(11) 108.4(5) 1_555 1_555 1_555 yes
N(8) C(12) H(12) 125.2(6) 1_555 1_555 1_555 no
C(11) C(12) H(12) 126.4(6) 1_555 1_555 1_555 no
N(9) C(13) C(14) 110.8(6) 1_555 1_555 1_555 yes
N(9) C(13) H(13) 124.0(7) 1_555 1_555 1_555 no
C(14) C(13) H(13) 125.2(7) 1_555 1_555 1_555 no
C(13) C(14) C(15) 105.5(6) 1_555 1_555 1_555 yes
C(13) C(14) H(14) 128.6(9) 1_555 1_555 1_555 no
C(15) C(14) H(14) 125.9(8) 1_555 1_555 1_555 no
N(10) C(15) C(14) 107.8(6) 1_555 1_555 1_555 yes
N(10) C(15) H(15) 123.1(7) 1_555 1_555 1_555 no
C(14) C(15) H(15) 129.1(7) 1_555 1_555 1_555 no
N(11) C(16) C(17) 112.5(6) 1_555 1_555 1_555 yes
N(11) C(16) H(16) 123.6(6) 1_555 1_555 1_555 no
C(17) C(16) H(16) 123.8(7) 1_555 1_555 1_555 no
C(16) C(17) C(18) 103.3(6) 1_555 1_555 1_555 yes
C(16) C(17) H(17) 129.8(7) 1_555 1_555 1_555 no
C(18) C(17) H(17) 126.8(7) 1_555 1_555 1_555 no
N(12) C(18) C(17) 109.2(5) 1_555 1_555 1_555 yes
N(12) C(18) H(18) 123.5(7) 1_555 1_555 1_555 no
C(17) C(18) H(18) 127.3(7) 1_555 1_555 1_555 no
N(2) B(1) N(4) 110.5(5) 1_555 1_555 1_555 yes
N(2) B(1) N(6) 107.8(4) 1_555 1_555 1_555 yes
N(2) B(1) H(19) 109.3(5) 1_555 1_555 1_555 no
N(4) B(1) N(6) 109.7(5) 1_555 1_555 1_555 yes
N(4) B(1) H(19) 109.7(5) 1_555 1_555 1_555 no
N(6) B(1) H(19) 109.8(5) 1_555 1_555 1_555 no
N(8) B(2) N(10) 109.8(5) 1_555 1_555 1_555 yes
N(8) B(2) N(12) 109.7(5) 1_555 1_555 1_555 yes
N(8) B(2) H(20) 109.1(5) 1_555 1_555 1_555 no
N(10) B(2) N(12) 108.9(4) 1_555 1_555 1_555 yes
N(10) B(2) H(20) 110.0(6) 1_555 1_555 1_555 no
N(12) B(2) H(20) 109.3(6) 1_555 1_555 1_555 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn(1) N(1) 2.263(5) 1_555 1_555 yes
Mn(1) N(1) 2.263(5) 1_555 2_555 yes
Mn(1) N(3) 2.197(4) 1_555 1_555 yes
Mn(1) N(3) 2.197(4) 1_555 2_555 yes
Mn(1) N(5) 2.265(5) 1_555 1_555 yes
Mn(1) N(5) 2.265(5) 1_555 2_555 yes
Mn(2) N(7) 2.223(4) 1_555 1_555 yes
Mn(2) N(7) 2.223(4) 1_555 2_555 yes
Mn(2) N(9) 2.285(5) 1_555 1_555 yes
Mn(2) N(9) 2.285(5) 1_555 2_555 yes
Mn(2) N(11) 2.272(5) 1_555 1_555 yes
Mn(2) N(11) 2.272(5) 1_555 2_555 yes
N(1) N(2) 1.375(6) 1_555 1_555 yes
N(1) C(1) 1.314(7) 1_555 1_555 yes
N(2) C(3) 1.347(7) 1_555 1_555 yes
N(2) B(1) 1.537(8) 1_555 1_555 yes
N(3) N(4) 1.365(5) 1_555 1_555 yes
N(3) C(4) 1.323(7) 1_555 1_555 yes
N(4) C(6) 1.327(6) 1_555 1_555 yes
N(4) B(1) 1.549(7) 1_555 1_555 yes
N(5) N(6) 1.368(6) 1_555 1_555 yes
N(5) C(7) 1.314(7) 1_555 1_555 yes
N(6) C(9) 1.340(7) 1_555 1_555 yes
N(6) B(1) 1.541(8) 1_555 1_555 yes
N(7) N(8) 1.340(6) 1_555 1_555 yes
N(7) C(10) 1.327(7) 1_555 1_555 yes
N(8) C(12) 1.359(7) 1_555 1_555 yes
N(8) B(2) 1.540(8) 1_555 1_555 yes
N(9) N(10) 1.355(6) 1_555 1_555 yes
N(9) C(13) 1.312(8) 1_555 1_555 yes
N(10) C(15) 1.349(8) 1_555 1_555 yes
N(10) B(2) 1.531(9) 1_555 1_555 yes
N(11) N(12) 1.367(6) 1_555 1_555 yes
N(11) C(16) 1.324(8) 1_555 1_555 yes
N(12) C(18) 1.341(7) 1_555 1_555 yes
N(12) B(2) 1.528(8) 1_555 1_555 yes
C(1) C(2) 1.383(9) 1_555 1_555 yes
C(1) H(1) 0.984 1_555 1_555 no
C(2) C(3) 1.363(9) 1_555 1_555 yes
C(2) H(2) 1.016 1_555 1_555 no
C(3) H(3) 0.993 1_555 1_555 no
C(4) C(5) 1.377(8) 1_555 1_555 yes
C(4) H(4) 0.982 1_555 1_555 no
C(5) C(6) 1.376(8) 1_555 1_555 yes
C(5) H(5) 0.998 1_555 1_555 no
C(6) H(6) 0.971 1_555 1_555 no
C(7) C(8) 1.391(8) 1_555 1_555 yes
C(7) H(7) 0.985 1_555 1_555 no
C(8) C(9) 1.363(9) 1_555 1_555 yes
C(8) H(8) 0.993 1_555 1_555 no
C(9) H(9) 0.987 1_555 1_555 no
C(10) C(11) 1.400(8) 1_555 1_555 yes
C(10) H(10) 0.983 1_555 1_555 no
C(11) C(12) 1.370(9) 1_555 1_555 yes
C(11) H(11) 0.987 1_555 1_555 no
C(12) H(12) 0.995 1_555 1_555 no
C(13) C(14) 1.370(10) 1_555 1_555 yes
C(13) H(13) 0.992 1_555 1_555 no
C(14) C(15) 1.36(1) 1_555 1_555 yes
C(14) H(14) 0.986 1_555 1_555 no
C(15) H(15) 1.010 1_555 1_555 no
C(16) C(17) 1.382(9) 1_555 1_555 yes
C(16) H(16) 0.981 1_555 1_555 no
C(17) C(18) 1.382(9) 1_555 1_555 yes
C(17) H(17) 1.008 1_555 1_555 no
C(18) H(18) 0.997 1_555 1_555 no
B(1) H(19) 0.972 1_555 1_555 no
B(2) H(20) 0.984 1_555 1_555 no
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2022-05-09T05:50:00+03:00
'Updated bibliographic information.'
2 'Vaitkus, Antanas' 2022-05-09T06:00:00+03:00
;
 Replaced the '?/fontfamily>' sequence with a backslash symbol ('\')
 in multiple data values.
;
3 'Vaitkus, Antanas' 2022-05-10T12:45:00+03:00
;
 Changed the '_cell_formula_unit_z' data name to '_cell_formula_units_Z'.
;
#BEGIN Loops that were not found in dictionaries:
loop_
_diffrn_standards_refln_index_h
_diffrn_standards_refln_index_k
_diffrn_standards_refln_index_l
0 -6 0
-3 -3 2
0 -4 5
#END Loops that were not found in dictionaries
