#------------------------------------------------------------------------------
#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/02/8100284.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_8100284
loop_
_publ_author_name
'Van Meervelt, Luc'
'Uytterhoeven, Koen'
'Van Deun, Rik'
'Moors, Dries'
'Binnemans, Koen'
_publ_section_title
;
Crystal structure of tris(N-(n-butyl)-4-methoxy-2-hydroxybenzaldimine)-
tris(nitrato)europium(III), Eu(LH)₃(NO₃)₃
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              118
_journal_page_last               120
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C36 H51 Eu N6 O15'
_chemical_formula_structural     '[Eu(LH)3 (NO3)3]'
_chemical_formula_sum            'C36 H51 Eu N6 O15'
_chemical_formula_weight         959.79
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.580(10)
_cell_angle_beta                 98.460(10)
_cell_angle_gamma                92.52(2)
_cell_formula_units_Z            2
_cell_length_a                   11.426(3)
_cell_length_b                   13.842(3)
_cell_length_c                   14.080(3)
_cell_measurement_temperature    289(2)
_cell_volume                     2173.0(9)
_diffrn_ambient_temperature      289(2)
_exptl_crystal_density_diffrn    1.467
_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 
;
_cod_original_sg_symbol_H-M      P1-
_cod_original_formula_sum        'C36 H51 Eu1 N6 O15'
_cod_database_code               8100284
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.56336(3) 0.26887(2) 0.72866(2) 0.04214(11) Uani 1 2 i d U . .
C1 C 0.6711(5) 0.0857(4) 0.5736(4) 0.0461(13) Uani 1 2 i d U . .
C2 C 0.7559(5) 0.1368(4) 0.5316(4) 0.0518(14) Uani 1 2 i d DU . .
H2 H 0.7595(5) 0.2057(19) 0.5395(4) 0.062 Uiso 1 2 i calc RD . .
C3 C 0.8328(5) 0.0860(5) 0.4796(4) 0.0566(15) Uani 1 2 i d U . .
C4 C 0.8276(7) -0.0171(5) 0.4656(5) 0.0739(19) Uani 1 2 i d DU . .
H4 H 0.8800(15) -0.0514(10) 0.4286(11) 0.089 Uiso 1 2 i calc RD . .
C5 C 0.7479(6) -0.0670(5) 0.5051(5) 0.0648(17) Uani 1 2 i d DU . .
H5 H 0.7450(6) -0.1361(19) 0.4952(5) 0.078 Uiso 1 2 i calc RD . .
C6 C 0.6689(5) -0.0183(4) 0.5606(4) 0.0494(14) Uani 1 2 i d U . .
O7 O 0.5990(4) 0.1328(3) 0.6231(3) 0.0559(10) Uani 1 2 i d U . .
O8 O 0.9164(5) 0.1285(4) 0.4377(4) 0.0876(15) Uani 1 2 i d U . .
C9 C 0.9285(7) 0.2324(6) 0.4468(6) 0.093(3) Uani 1 2 i d DU . .
H9A H 0.855(2) 0.2558(10) 0.424(4) 0.140 Uiso 1 2 i calc RD . .
H9B H 0.986(4) 0.2504(8) 0.410(4) 0.140 Uiso 1 2 i calc RD . .
H9C H 0.953(5) 0.2595(10) 0.512(2) 0.140 Uiso 1 2 i calc RD . .
C10 C 0.5892(5) -0.0749(5) 0.6024(4) 0.0538(15) Uani 1 2 i d U . .
H10 H 0.5906(6) -0.148(5) 0.5873(10) 0.065 Uiso 1 2 i calc R . .
N11 N 0.5158(5) -0.0416(4) 0.6575(4) 0.0585(13) Uani 1 2 i d DU . .
H11 H 0.503(6) 0.015(3) 0.662(5) 0.070 Uiso 1 2 i d D . .
C12 C 0.4424(6) -0.0982(5) 0.7090(5) 0.0673(18) Uani 1 2 i d DU . .
H12A H 0.4425(6) -0.171(2) 0.6821(8) 0.081 Uiso 1 2 i calc RD . .
H12B H 0.357(2) -0.0783(7) 0.6973(6) 0.081 Uiso 1 2 i calc RD . .
C13 C 0.4872(6) -0.0818(5) 0.8169(5) 0.0641(17) Uani 1 2 i d DU . .
H13A H 0.4927(6) -0.0088(19) 0.8417(8) 0.077 Uiso 1 2 i calc RD . .
H13B H 0.4267(17) -0.1137(9) 0.8506(10) 0.077 Uiso 1 2 i calc RD . .
C14 C 0.6057(7) -0.1208(6) 0.8458(6) 0.082(2) Uani 1 2 i d DU . .
H14A H 0.6675(18) -0.0872(10) 0.8143(10) 0.098 Uiso 1 2 i calc RD . .
H14B H 0.6014(7) -0.194(2) 0.8198(9) 0.098 Uiso 1 2 i calc RD . .
C15 C 0.6459(9) -0.1056(7) 0.9550(7) 0.112(3) Uani 1 2 i d DU . .
H15A H 0.650(6) -0.033(2) 0.9817(13) 0.168 Uiso 1 2 i calc RD . .
H15B H 0.727(4) -0.131(5) 0.9693(8) 0.168 Uiso 1 2 i calc RD . .
H15C H 0.587(4) -0.142(4) 0.9866(13) 0.168 Uiso 1 2 i calc RD . .
C16 C 0.4811(5) 0.5049(4) 0.7832(4) 0.0439(13) Uani 1 2 i d U . .
C17 C 0.3980(5) 0.5078(4) 0.7002(4) 0.0464(13) Uani 1 2 i d DU . .
H17 H 0.3900(5) 0.4551(14) 0.6478(14) 0.056 Uiso 1 2 i calc RD . .
C18 C 0.3276(5) 0.5857(4) 0.6929(4) 0.0488(13) Uani 1 2 i d U . .
C19 C 0.3340(6) 0.6630(4) 0.7715(5) 0.0597(16) Uani 1 2 i d DU . .
H19 H 0.2833(15) 0.7147(14) 0.7679(5) 0.072 Uiso 1 2 i calc RD . .
C20 C 0.4145(5) 0.6618(4) 0.8526(4) 0.0510(14) Uani 1 2 i d DU . .
H20 H 0.4203(5) 0.7141(14) 0.9044(14) 0.061 Uiso 1 2 i calc RD . .
C21 C 0.4893(5) 0.5846(4) 0.8614(4) 0.0433(13) Uani 1 2 i d U . .
O22 O 0.5488(3) 0.4322(3) 0.7904(3) 0.0548(10) Uani 1 2 i d U . .
O23 O 0.2471(4) 0.5942(3) 0.6156(3) 0.0661(12) Uani 1 2 i d U . .
C24 C 0.2331(7) 0.5175(6) 0.5321(5) 0.084(2) Uani 1 2 i d DU . .
H24A H 0.305(3) 0.514(3) 0.507(3) 0.126 Uiso 1 2 i calc RD . .
H24B H 0.172(4) 0.532(2) 0.484(2) 0.126 Uiso 1 2 i calc RD . .
H24C H 0.213(5) 0.4574(19) 0.5511(11) 0.126 Uiso 1 2 i calc RD . .
C25 C 0.5732(5) 0.5879(4) 0.9477(4) 0.0487(14) Uani 1 2 i d U . .
H25 H 0.5730(5) 0.644(3) 0.999(3) 0.058 Uiso 1 2 i calc R . .
N26 N 0.6488(5) 0.5243(4) 0.9643(4) 0.0535(12) Uani 1 2 i d DU . .
H26 H 0.642(6) 0.476(4) 0.924(4) 0.064 Uiso 1 2 i d D . .
C27 C 0.7414(6) 0.5300(5) 1.0476(5) 0.0657(18) Uani 1 2 i d U . .
H27A H 0.7444(6) 0.467(3) 1.0701(12) 0.079 Uiso 1 2 i calc R . .
H27B H 0.7234(10) 0.578(2) 1.101(2) 0.079 Uiso 1 2 i calc R . .
C28 C 0.8618(5) 0.5588(5) 1.0213(4) 0.0561(15) Uani 1 2 i d U . .
H28A H 0.921(3) 0.5512(6) 1.072(2) 0.067 Uiso 1 2 i calc R . .
H28B H 0.8744(8) 0.5159(19) 0.967(2) 0.067 Uiso 1 2 i calc R . .
C29 C 0.8747(7) 0.6615(5) 1.0005(5) 0.078(2) Uani 1 2 i d U . .
H29A H 0.8584(11) 0.706(2) 1.056(3) 0.094 Uiso 1 2 i calc R . .
H29B H 0.817(3) 0.6689(7) 0.945(3) 0.094 Uiso 1 2 i calc R . .
C30 C 1.0003(7) 0.6883(6) 0.9795(6) 0.096(3) Uani 1 2 i d DU . .
H30A H 1.061(2) 0.684(4) 1.038(2) 0.144 Uiso 1 2 i calc RD . .
H30B H 1.0042(17) 0.758(3) 0.964(4) 0.144 Uiso 1 2 i calc RD . .
H30C H 1.018(2) 0.641(3) 0.922(3) 0.144 Uiso 1 2 i calc RD . .
C31 C 0.8438(5) 0.3751(4) 0.7425(4) 0.0458(13) Uani 1 2 i d U . .
C32 C 0.8185(5) 0.4713(4) 0.7338(4) 0.0507(14) Uani 1 2 i d DU . .
H32 H 0.742(2) 0.4928(7) 0.7398(4) 0.061 Uiso 1 2 i calc RD . .
C33 C 0.9069(6) 0.5354(5) 0.7160(4) 0.0561(15) Uani 1 2 i d U . .
C34 C 1.0199(6) 0.5074(6) 0.7088(5) 0.0728(19) Uani 1 2 i d DU . .
H34 H 1.0791(17) 0.5535(13) 0.6982(6) 0.087 Uiso 1 2 i calc RD . .
C35 C 1.0465(6) 0.4144(5) 0.7168(5) 0.0668(18) Uani 1 2 i d DU . .
H35 H 1.124(2) 0.3949(7) 0.7104(5) 0.080 Uiso 1 2 i calc RD . .
C36 C 0.9612(5) 0.3465(5) 0.7344(4) 0.0554(15) Uani 1 2 i d U . .
O37 O 0.7646(3) 0.3120(3) 0.7603(3) 0.0571(10) Uani 1 2 i d U . .
O38 O 0.8874(5) 0.6299(3) 0.7029(4) 0.0808(14) Uani 1 2 i d U . .
C39 C 0.7715(8) 0.6639(6) 0.7038(7) 0.104(3) Uani 1 2 i d DU . .
H39A H 0.718(2) 0.627(3) 0.652(3) 0.157 Uiso 1 2 i calc RD . .
H39B H 0.7731(15) 0.731(2) 0.697(5) 0.157 Uiso 1 2 i calc RD . .
H39C H 0.746(3) 0.656(4) 0.763(3) 0.157 Uiso 1 2 i calc RD . .
C40 C 0.9906(7) 0.2487(5) 0.7398(5) 0.0687(18) Uani 1 2 i d U . .
H40 H 1.076(6) 0.2319(12) 0.7291(8) 0.082 Uiso 1 2 i calc R . .
N41 N 0.9224(5) 0.1783(5) 0.7565(5) 0.0686(15) Uani 1 2 i d DU . .
H41 H 0.859(4) 0.187(5) 0.772(5) 0.082 Uiso 1 2 i d D . .
C42 C 0.9551(7) 0.0738(6) 0.7529(6) 0.083(2) Uani 1 2 i d U . .
H42A H 0.892(3) 0.028(2) 0.705(2) 0.099 Uiso 1 2 i calc R . .
H42B H 1.035(4) 0.0660(7) 0.7283(14) 0.099 Uiso 1 2 i calc R . .
C43 C 0.9631(9) 0.0473(7) 0.8494(7) 0.116(4) Uani 1 2 i d U . .
H43A H 0.898(5) 0.0614(12) 0.8740(19) 0.140 Uiso 1 2 i calc R . .
H43B H 1.024(4) 0.080(2) 0.889(3) 0.140 Uiso 1 2 i calc R . .
C44 C 0.9798(12) -0.0696(8) 0.8397(9) 0.155(5) Uani 1 2 i d U . .
H44A H 0.959(2) -0.094(2) 0.900(5) 0.186 Uiso 1 2 i calc R . .
H44B H 0.923(4) -0.105(3) 0.782(4) 0.186 Uiso 1 2 i calc R . .
C45 C 1.0987(10) -0.0912(8) 0.8285(8) 0.129(4) Uani 1 2 i d DU . .
H45A H 1.113(2) -0.082(5) 0.761(3) 0.193 Uiso 1 2 i calc RD . .
H45B H 1.111(2) -0.162(3) 0.838(6) 0.193 Uiso 1 2 i calc RD . .
H45C H 1.156(2) -0.045(4) 0.879(4) 0.193 Uiso 1 2 i calc R . .
N46 N 0.6578(5) 0.1967(4) 0.9103(4) 0.0623(14) Uani 1 2 i d U . .
O47 O 0.6679(4) 0.1491(3) 0.8295(3) 0.0580(10) Uani 1 2 i d U . .
O48 O 0.6984(6) 0.1713(4) 0.9860(4) 0.1050(19) Uani 1 2 i d U . .
O49 O 0.5987(4) 0.2732(3) 0.9086(3) 0.0748(13) Uani 1 2 i d U . .
N50 N 0.3326(4) 0.1906(4) 0.7728(4) 0.0584(13) Uani 1 2 i d U . .
O51 O 0.4126(4) 0.1376(3) 0.7438(3) 0.0678(12) Uani 1 2 i d U . .
O52 O 0.2453(5) 0.1544(4) 0.7914(4) 0.0976(18) Uani 1 2 i d U . .
O53 O 0.3532(4) 0.2805(3) 0.7757(4) 0.0777(14) Uani 1 2 i d U . .
N54 N 0.5037(6) 0.3194(4) 0.5325(4) 0.0617(14) Uani 1 2 i d U . .
O55 O 0.4246(4) 0.2839(3) 0.5755(3) 0.0623(11) Uani 1 2 i d U . .
O56 O 0.6031(4) 0.3439(3) 0.5841(3) 0.0637(11) Uani 1 2 i d U . .
O57 O 0.4823(5) 0.3291(4) 0.4481(4) 0.0981(18) Uani 1 2 i d U . .
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
Eu1 O7 2.309(4) . ?
Eu1 O37 2.311(4) . ?
Eu1 O22 2.320(4) . ?
Eu1 O49 2.497(4) . ?
Eu1 O51 2.502(4) . ?
Eu1 O56 2.507(4) . ?
Eu1 O55 2.523(4) . ?
Eu1 O47 2.562(4) . ?
Eu1 O53 2.589(4) . ?
Eu1 N54 2.940(6) . ?
Eu1 N46 2.958(5) . ?
Eu1 N50 2.991(5) . ?
C1 O7 1.292(6) . ?
C1 C2 1.421(8) . ?
C1 C6 1.423(8) . ?
C2 C3 1.376(8) . ?
C2 H2 0.9418 . ?
C3 O8 1.351(7) . ?
C3 C4 1.410(9) . ?
C4 C5 1.350(9) . ?
C4 H4 0.9468 . ?
C5 C6 1.408(8) . ?
C5 H5 0.9451 . ?
C6 C10 1.423(8) . ?
O8 C9 1.423(9) . ?
C9 H9A 0.9399 . ?
C9 H9B 0.9399 . ?
C9 H9C 0.9399 . ?
C10 N11 1.279(8) . ?
C10 H10 1.0005 . ?
N11 C12 1.461(8) . ?
N11 H11 0.79(4) . ?
C12 C13 1.510(9) . ?
C12 H12A 1.0225 . ?
C12 H12B 1.0225 . ?
C13 C14 1.502(9) . ?
C13 H13A 1.0146 . ?
C13 H13B 1.0146 . ?
C14 C15 1.517(11) . ?
C14 H14A 1.0180 . ?
C14 H14B 1.0180 . ?
C15 H15A 1.0118 . ?
C15 H15B 1.0118 . ?
C15 H15C 1.0118 . ?
C16 O22 1.304(6) . ?
C16 C17 1.400(8) . ?
C16 C21 1.427(7) . ?
C17 C18 1.381(8) . ?
C17 H17 0.9477 . ?
C18 O23 1.341(7) . ?
C18 C19 1.411(8) . ?
C19 C20 1.360(8) . ?
C19 H19 0.9435 . ?
C20 C21 1.405(7) . ?
C20 H20 0.9407 . ?
C21 C25 1.426(8) . ?
O23 C24 1.446(8) . ?
C24 H24A 0.9398 . ?
C24 H24B 0.9398 . ?
C24 H24C 0.9398 . ?
C25 N26 1.283(7) . ?
C25 H25 0.9812 . ?
N26 C27 1.449(8) . ?
N26 H26 0.80(4) . ?
C27 C28 1.528(8) . ?
C27 H27A 0.9768 . ?
C27 H27B 0.9768 . ?
C28 C29 1.499(9) . ?
C28 H28A 0.9306 . ?
C28 H28B 0.9306 . ?
C29 C30 1.549(10) . ?
C29 H29A 0.9640 . ?
C29 H29B 0.9640 . ?
C30 H30A 1.0126 . ?
C30 H30B 1.0126 . ?
C30 H30C 1.0126 . ?
C31 O37 1.306(7) . ?
C31 C32 1.394(8) . ?
C31 C36 1.431(8) . ?
C32 C33 1.389(8) . ?
C32 H32 0.9510 . ?
C33 O38 1.372(8) . ?
C33 C34 1.377(9) . ?
C34 C35 1.353(9) . ?
C34 H34 0.9530 . ?
C35 C36 1.398(9) . ?
C35 H35 0.9523 . ?
C36 C40 1.420(9) . ?
O38 C39 1.426(9) . ?
C39 H39A 0.9450 . ?
C39 H39B 0.9450 . ?
C39 H39C 0.9450 . ?
C40 N41 1.292(9) . ?
C40 H40 1.0377 . ?
N41 C42 1.505(9) . ?
N41 H41 0.80(4) . ?
C42 C43 1.450(11) . ?
C42 H42A 1.0321 . ?
C42 H42B 1.0321 . ?
C43 C44 1.625(12) . ?
C43 H43A 0.8880 . ?
C43 H43B 0.8880 . ?
C44 C45 1.429(13) . ?
C44 H44A 1.0111 . ?
C44 H44B 1.0111 . ?
C45 H45A 1.0165 . ?
C45 H45B 1.0165 . ?
C45 H45C 1.0165 . ?
N46 O48 1.206(7) . ?
N46 O47 1.251(6) . ?
N46 O49 1.282(6) . ?
N50 O52 1.178(6) . ?
N50 O53 1.250(6) . ?
N50 O51 1.272(6) . ?
N54 O57 1.207(7) . ?
N54 O56 1.259(7) . ?
N54 O55 1.279(6) . ?
