Structure of the decahydrated octaacetate of dineodymium(III) and cobalt(II)
A. Gonzalez; A. Beltran; A. le Bail; Acta Crystallographica Section C 47 (1991) 1624–1627; doi:10.1107/S0108270191002184

data_2000000
_publ_section_title
' Structure of the decahydrated octaacetate of dineodymium(III) and cobalt(II)'
_journal_coeditor_code           PA0193
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1624
_journal_page_last               1627
_journal_paper_doi               10.1107/S0108270191002184
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C16 H44 Co Nd2 O26'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.64(1)
_cell_angle_beta                 107.94(1)
_cell_angle_gamma                93.45(1)
_cell_formula_units_Z            1
_cell_length_a                   8.243(2)
_cell_length_b                   10.368(3)
_cell_length_c                   11.497(3)
_cell_volume                     851.974
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.95
_refine_ls_R_factor_gt           0.024
_refine_ls_wR_factor_gt          0.024
_cod_depositor_comments
;
 Removing 43 symmetrically equivalent atoms:

 O1A* O -0.1104(2) 0.8680(2) 0.4334(2)
 Nd1A* Nd -0.08652(1) 1.08111(1) 0.66796(1)
 O3A* O -0.1692(2) 1.0466(2) -0.1531(1)
 O5A* O 0.0662(2) 0.8389(2) -0.1408(2)
 O7A* O 0.2041(2) 1.1639(2) 0.0437(2)
 C3A* C -0.2321(3) 0.7938(2) 0.4401(2)
 O2A* O -0.2765(3) 0.8393(2) 0.5409(2)
 O3A** O -0.1692(2) 1.0466(2) 0.8469(1)
 O4A* O -0.3817(2) 1.0831(2) 0.7013(2)
 O6A* O 0.1046(2) 0.9221(2) 0.7138(2)
 O8A* O 0.1406(3) 1.2272(2) 0.8714(2)
 O9A* O -0.2875(2) 1.1095(2) 0.4687(2)
 O11A* O -0.1131(3) 1.3334(2) 0.7388(3)
 Nd1A** Nd -0.08652(1) 1.08111(1) -0.33204(1)
 C1A* C -0.3266(2) 1.0634(2) -0.1939(2)
 C4A* C 0.1002(3) 0.8257(2) -0.2435(2)
 C2A* C 0.2295(2) 1.2432(2) -0.0125(2)
 C7A* C -0.3274(5) 0.6558(3) 0.3268(3)
 C1A** C -0.3266(2) 1.0634(2) 0.8061(2)
 C4A** C 0.1002(3) 0.8257(2) 0.7565(2)
 C2A** C 0.2295(2) 1.2432(2) 0.9875(2)
 H1A* H -0.1991(49) 1.0767(52) 0.4270(49)
 H2A* H -0.4008(33) 1.0409(43) 0.4152(46)
 H5A* H -0.0390(56) 1.4191(32) 0.8194(36)
 H6A* H -0.2211(42) 1.3588(50) 0.6907(47)
 O4A** O -0.3817(2) 1.0831(2) -0.2987(2)
 C5A* C -0.4411(3) 1.0576(4) -0.1169(3)
 O6A** O 0.1046(2) 0.9221(2) -0.2862(2)
 C8A* C 0.1363(7) 0.6850(3) -0.3215(4)
 O8A** O 0.1406(3) 1.2272(2) -0.1286(2)
 C6A* C 0.3757(4) 1.3703(3) 0.0662(3)
 H17A* H -0.2961(67) 0.6425(61) 0.2390(32)
 H18A* H -0.2674(60) 0.5865(49) 0.3702(53)
 H19A* H -0.4668(10) 0.6302(53) 0.2990(51)
 H11A* H -0.3756(64) 1.0464(52) -0.0251(27)
 H12A* H -0.5401(51) 1.1197(47) -0.1042(48)
 H13A* H -0.5008(60) 0.9540(25) -0.1971(33)
 H20A* H 0.0448(44) 0.6468(52) -0.2858(44)
 H21A* H 0.0895(55) 0.6350(55) -0.4296(5)
 H22A* H 0.2612(32) 0.6601(59) -0.2816(46)
 H14A* H 0.4444(58) 1.3882(57) 0.0056(45)
 H15A* H 0.3174(64) 1.4601(37) 0.1033(46)
 H16A* H 0.4657(52) 1.3566(56) 0.1497(31)

 Antanas Vaitkus,
 2017-08-14
;
_cod_original_formula_sum        'C16 H44 Co1 Nd2 O26'
_cod_database_code               2000000