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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/01/7100141.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_7100141
loop_
_publ_author_name
'A. Carty'
'Todd Graham'
'Konstantin A. Udachin'
_publ_section_title
;
Reactivity of Electrophilic m2-Phosphinidene Complexes
with Heterocumulenes: Formation of the First s-p-Aminophosphaimine
Complexes [Mn2(CO)8{m-h1,h2-P(NiPr2)=NR}] and Diazoalkane Insertions
into Metal-Phosphorus Bonds.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b505472a
_journal_year                    2005
_chemical_formula_sum            'C14 H14 Mn2 N O8 P'
_chemical_formula_weight         465.11
_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                104.344(2)
_cell_angle_beta                 96.656(2)
_cell_angle_gamma                97.440(2)
_cell_formula_units_Z            2
_cell_length_a                   6.6736(7)
_cell_length_b                   9.5035(9)
_cell_length_c                   15.4285(15)
_cell_measurement_temperature    125(2)
_cell_volume                     928.81(16)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    1.663
_cod_database_code               7100141
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.29866(3) 0.728387(19) 0.154830(12) 0.02009(5) Uani 1 1 d . . .
Mn2 Mn 0.25356(3) 0.842082(19) 0.344246(12) 0.02111(5) Uani 1 1 d . . .
P1 P 0.16824(4) 0.62926(3) 0.250468(19) 0.01928(7) Uani 1 1 d . . .
N1 N 0.12103(15) 0.45680(11) 0.24946(7) 0.02308(19) Uani 1 1 d . . .
O1 O 0.67817(15) 0.61930(11) 0.21151(7) 0.0310(2) Uani 1 1 d . . .
O2 O 0.54127(17) 0.99704(13) 0.13032(11) 0.0521(3) Uani 1 1 d . . .
O3 O -0.08428(16) 0.82712(12) 0.08838(7) 0.0365(2) Uani 1 1 d . . .
O4 O 0.25889(17) 0.51565(13) -0.02371(7) 0.0400(2) Uani 1 1 d . . .
O5 O 0.64396(15) 0.76369(12) 0.41865(7) 0.0358(2) Uani 1 1 d . . .
O6 O 0.10836(17) 0.85534(13) 0.51968(7) 0.0392(2) Uani 1 1 d . . .
O7 O 0.48485(19) 1.13631(12) 0.35336(9) 0.0485(3) Uani 1 1 d . . .
O8 O -0.12554(16) 0.95412(12) 0.28763(7) 0.0344(2) Uani 1 1 d . . .
C1 C 0.53442(19) 0.66298(13) 0.19022(8) 0.0238(2) Uani 1 1 d . . .
C2 C 0.4499(2) 0.89554(15) 0.14113(11) 0.0322(3) Uani 1 1 d . . .
C3 C 0.0595(2) 0.79073(14) 0.11639(8) 0.0258(2) Uani 1 1 d . . .
C4 C 0.27529(19) 0.59963(15) 0.04544(9) 0.0272(2) Uani 1 1 d . . .
C5 C 0.49477(19) 0.79143(14) 0.38869(8) 0.0259(2) Uani 1 1 d . . .
C6 C 0.1661(2) 0.85189(14) 0.45228(8) 0.0278(2) Uani 1 1 d . . .
C7 C 0.3969(2) 1.02359(15) 0.35009(10) 0.0322(3) Uani 1 1 d . . .
C8 C 0.0170(2) 0.90788(13) 0.30677(8) 0.0256(2) Uani 1 1 d . . .
C9 C 0.0874(2) 0.40158(15) 0.32974(9) 0.0295(3) Uani 1 1 d . . .
H9 H 0.0689 0.2917 0.3090 0.035 Uiso 1 1 calc R . .
C10 C 0.2726(2) 0.45087(17) 0.40376(9) 0.0352(3) Uani 1 1 d . . .
H10A H 0.3966 0.4339 0.3771 0.042 Uiso 1 1 calc R . .
H10B H 0.2581 0.3945 0.4486 0.042 Uiso 1 1 calc R . .
H10C H 0.2825 0.5560 0.4333 0.042 Uiso 1 1 calc R . .
C11 C -0.1089(2) 0.44029(18) 0.36335(10) 0.0377(3) Uani 1 1 d . . .
H11A H -0.0964 0.5475 0.3856 0.045 Uiso 1 1 calc R . .
H11B H -0.1334 0.3952 0.4126 0.045 Uiso 1 1 calc R . .
H11C H -0.2237 0.4032 0.3135 0.045 Uiso 1 1 calc R . .
C12 C 0.1033(2) 0.34210(14) 0.16059(9) 0.0274(2) Uani 1 1 d . . .
H12 H 0.1099 0.3952 0.1123 0.033 Uiso 1 1 calc R . .
C13 C -0.1013(2) 0.24065(17) 0.13854(10) 0.0383(3) Uani 1 1 d . . .
H13A H -0.1094 0.1820 0.1825 0.046 Uiso 1 1 calc R . .
H13B H -0.1149 0.1749 0.0775 0.046 Uiso 1 1 calc R . .
H13C H -0.2118 0.2994 0.1414 0.046 Uiso 1 1 calc R . .
C14 C 0.2831(2) 0.26033(18) 0.16033(11) 0.0409(3) Uani 1 1 d . . .
H14A H 0.4108 0.3311 0.1760 0.049 Uiso 1 1 calc R . .
H14B H 0.2778 0.1942 0.1000 0.049 Uiso 1 1 calc R . .
H14C H 0.2773 0.2027 0.2048 0.049 Uiso 1 1 calc R . .
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
Mn1 C4 1.7990(13) . ?
Mn1 C1 1.8391(12) . ?
Mn1 C2 1.8405(14) . ?
Mn1 C3 1.8570(13) . ?
Mn1 P1 2.1439(4) . ?
Mn1 Mn2 2.9193(4) . ?
Mn2 C6 1.8139(14) . ?
Mn2 C7 1.8369(14) . ?
Mn2 C5 1.8443(13) . ?
Mn2 C8 1.8547(13) . ?
Mn2 P1 2.1376(4) . ?
P1 N1 1.6242(10) . ?
N1 C9 1.4886(15) . ?
N1 C12 1.5069(16) . ?
O1 C1 1.1394(15) . ?
O2 C2 1.1318(17) . ?
O3 C3 1.1364(16) . ?
O4 C4 1.1470(17) . ?
O5 C5 1.1384(16) . ?
O6 C6 1.1445(17) . ?
O7 C7 1.1395(18) . ?
O8 C8 1.1371(16) . ?
C9 C10 1.5195(19) . ?
C9 C11 1.5195(19) . ?
C12 C14 1.5116(18) . ?
C12 C13 1.5157(19) . ?
