data_2011453
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  e445
_journal_page_last  e446
_publ_section_title
;
Bis(pyridinecarboxylato-O,N)(pyridinecarboxylic acid-O,N)manganese(III)
hydroxide
;
loop_
_publ_author_name
  'Li, Yi-Zhi'
  'Wang, Min'
  'Wang, Liu-Fang'
  'Xia, Chun-Gu'
_chemical_formula_moiety  'C18 H14 Mn N3 O7'
_chemical_formula_sum  'C18 H14 Mn N3 O7'
_chemical_formula_iupac  '[Mn (C6 H4 N O2)2 (C6 H5 N O2)], OH'
_chemical_formula_weight  439.26
_symmetry_cell_setting  'Monoclinic'
_symmetry_space_group_name_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  30.523(6)
_cell_length_b  8.4111(17)
_cell_length_c  13.914(3)
_cell_angle_alpha  90.00
_cell_angle_beta  94.40(3)
_cell_angle_gamma  90.00
_cell_volume  3561.6(12)
_cell_formula_units_Z  8
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.638
_diffrn_ambient_temperature  293(2)
loop_
_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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Mn1  .614124(4)  .217414(16)  .116907(9)  .04042(7) Uani d . 1 . . Mn
  O1  .65559(2)  .38753(10)  .11856(5)  .05395(17) Uani d . 1 . . O
  O2  .70201(3)  .51880(12)  .03362(6)  .0714(2) Uani d . 1 . . O
  O3  .61673(2)  .22286(9)  .25571(6)  .05266(18) Uani d . 1 . . O
  O4  .65768(3)  .17416(13)  .39219(5)  .0732(2) Uani d . 1 . . O
  H4A  .6378  .2326  .4131  .080 Uiso d R 1 . . H
  O5  .57350(2)  .04351(7)  .10354(5)  .04533(15) Uani d . 1 . . O
  O6  .50603(2)  -.04327(10)  .11845(7)  .0664(2) Uani d . 1 . . O
  N1  .61955(2)  .24168(10)  -.03602(6)  .04430(17) Uani d . 1 . . N
  N2  .66947(2)  .05081(10)  .15712(6)  .04671(17) Uani d . 1 . . N
  N3  .54979(2)  .34168(9)  .11297(5)  .04137(16) Uani d . 1 . . N
  C1  .64966(3)  .35425(11)  -.04899(6)  .04342(18) Uani d . 1 . . C
  C2  .65633(3)  .39359(13)  -.14210(7)  .0510(2) Uani d . 1 . . C
  H2A  .6777  .4730  -.1546  .080 Uiso d R 1 . . H
  C3  .63283(4)  .31487(14)  -.21723(7)  .0561(2) Uani d . 1 . . C
  H3A  .6378  .3399  -.2828  .080 Uiso d R 1 . . H
  C4  .60261(4)  .20621(12)  -.19908(7)  .0521(2) Uani d . 1 . . C
  H4B  .5855  .1539  -.2505  .080 Uiso d R 1 . . H
  C5  .59554(3)  .16963(12)  -.10229(7)  .04510(19) Uani d . 1 . . C
  H5A  .5743  .0904  -.0885  .080 Uiso d R 1 . . H
  C6  .67098(3)  .42812(12)  .03573(7)  .0499(2) Uani d . 1 . . C
  C7  .67961(3)  .06377(11)  .25243(6)  .04094(18) Uani d . 1 . . C
  C8  .71693(3)  -.01414(12)  .29548(7)  .0515(2) Uani d . 1 . . C
  H8A  .7241  -.0032  .3636  .080 Uiso d R 1 . . H
  C9  .74276(3)  -.10262(15)  .24163(10)  .0651(3) Uani d . 1 . . C
  H9A  .7684  -.1549  .2705  .080 Uiso d R 1 . . H
  C10  .73194(3)  -.11889(16)  .14399(10)  .0660(3) Uani d . 1 . . C
  H10A  .7495  -.1826  .1045  .080 Uiso d R 1 . . H
  C11  .69538(3)  -.04053(14)  .10287(8)  .0560(2) Uani d . 1 . . C
  H11A  .6878  -.0516  .0350  .080 Uiso d R 1 . . H
  C12  .65057(3)  .15824(11)  .30665(6)  .04570(19) Uani d . 1 . . C
  C13  .51797(3)  .23231(9)  .11744(6)  .03862(17) Uani d . 1 . . C
  C14  .47432(3)  .27869(13)  .12834(8)  .0517(2) Uani d . 1 . . C
  H14A  .4519  .1996  .1325  .080 Uiso d R 1 . . H
  C15  .46470(3)  .43743(12)  .13160(8)  .0518(2) Uani d . 1 . . C
  H15A  .4351  .4717  .1385  .080 Uiso d R 1 . . H
  C16  .49811(4)  .54807(14)  .12634(8)  .0571(2) Uani d . 1 . . C
  H16A  .4918  .6598  .1283  .080 Uiso d R 1 . . H
  C17  .53983(3)  .49588(12)  .11596(7)  .0494(2) Uani d . 1 . . C
  H17A  .5629  .5729  .1124  .080 Uiso d R 1 . . H
  C18  .53185(3)  .06829(12)  .11369(7)  .0477(2) Uani d . 1 . . C
  O7  .60981(5)  .26293(15)  .54448(12)  .1074(4) Uani d . 1 . . O
  H7A  .5842  .2122  .5664  .080 Uiso d R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Mn1  .03257(9)  .05178(11)  .03600(10)  .00273(4)  -.00336(6)  -.00100(5)
  O1  .0473(3)  .0682(4)  .0451(3)  -.0108(3)  -.0045(3)  -.0093(3)
  O2  .0599(5)  .0889(6)  .0629(5)  -.0340(4)  -.0117(4)  .0046(4)
  O3  .0403(3)  .0668(4)  .0504(4)  .0104(3)  .0003(3)  .0006(3)
  O4  .0855(6)  .0959(6)  .0371(4)  .0205(5)  -.0033(4)  -.0120(4)
  O5  .0378(3)  .0401(3)  .0577(4)  .0033(2)  .0011(3)  .0031(3)
  O6  .0477(4)  .0574(4)  .0940(6)  -.0126(3)  .0046(4)  .0073(4)
  N1  .0304(3)  .0498(4)  .0520(4)  .0016(3)  -.0017(3)  .0005(3)
  N2  .0395(4)  .0565(4)  .0435(4)  .0010(3)  -.0013(3)  -.0005(3)
  N3  .0376(3)  .0500(4)  .0357(3)  .0010(3)  -.0021(3)  -.0023(3)
  C1  .0366(4)  .0498(4)  .0425(4)  .0021(3)  -.0063(3)  -.0013(4)
  C2  .0457(5)  .0669(6)  .0410(4)  .0019(4)  .0067(4)  .0056(4)
  C3  .0624(6)  .0698(6)  .0370(4)  .0164(5)  .0108(4)  .0080(4)
  C4  .0594(6)  .0557(5)  .0389(5)  .0087(4)  -.0115(4)  -.0068(4)
  C5  .0384(4)  .0516(4)  .0452(5)  -.0007(3)  .0031(3)  -.0062(4)
  C6  .0372(4)  .0577(5)  .0535(5)  -.0024(3)  -.0058(4)  .0046(4)
  C7  .0325(4)  .0511(4)  .0388(4)  -.0080(3)  -.0004(3)  -.0024(3)
  C8  .0429(5)  .0607(5)  .0485(5)  .0035(4)  -.0130(4)  .0038(4)
  C9  .0393(5)  .0709(6)  .0827(8)  .0099(4)  -.0103(5)  .0036(6)
  C10  .0430(5)  .0756(7)  .0793(8)  .0124(5)  .0038(5)  -.0115(6)
  C11  .0430(5)  .0753(6)  .0491(5)  .0082(4)  .0003(4)  -.0102(5)
  C12  .0512(5)  .0450(4)  .0402(4)  -.0068(3)  -.0012(4)  .0060(3)
  C13  .0371(4)  .0392(4)  .0392(4)  -.0024(3)  .0005(3)  .0048(3)
  C14  .0319(4)  .0683(6)  .0547(6)  .0006(3)  .0030(4)  .0025(4)
  C15  .0379(4)  .0551(5)  .0617(6)  .0101(4)  -.0011(4)  -.0014(4)
  C16  .0608(6)  .0619(6)  .0477(5)  .0126(5)  -.0023(4)  -.0034(4)
  C17  .0503(5)  .0525(5)  .0441(5)  .0027(4)  -.0054(4)  -.0030(4)
  C18  .0400(4)  .0566(5)  .0461(5)  .0012(4)  .0001(3)  .0047(4)
  O7  .0967(8)  .0904(7)  .1355(12)  -.0040(6)  .0122(8)  -.0251(8)
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
  Mn1 O1 . 1.9094(8) y
  Mn1 O5 . 1.9174(7) y
  Mn1 O3 . 1.9274(9) y
  Mn1 N1 . 2.1566(10) y
  Mn1 N3 . 2.2215(8) y
  Mn1 N2 . 2.2328(9) y
  O1 C6 . 1.3223(13) y
  O2 C6 . 1.2183(12) y
  O3 C12 . 1.3237(12) y
  O4 C12 . 1.2009(12) y
  O4 H4A .  .8500 ?
  O5 C18 . 1.3066(11) y
  O6 C18 . 1.2303(13) y
  N1 C5 . 1.2849(12) y
  N1 C1 . 1.3412(12) y
  N2 C7 . 1.3429(12) y
  N2 C11 . 1.3700(13) y
  N3 C17 . 1.3334(12) y
  N3 C13 . 1.3427(11) y
  C1 C2 . 1.3674(13) y
  C1 C6 . 1.4427(13) y
  C2 C3 . 1.3895(16) y
  C2 H2A .  .9599 ?
  C3 C4 . 1.3364(17) y
  C3 H3A .  .9602 ?
  C4 C5 . 1.4139(14) y
  C4 H4B .  .9602 ?
  C5 H5A .  .9600 ?
  C7 C8 . 1.4075(13) y
  C7 C12 . 1.4455(13) y
  C8 C9 . 1.3518(17) y
  C8 H8A .  .9600 ?
  C9 C10 . 1.3801(19) y
  C9 H9A .  .9601 ?
  C10 C11 . 1.3818(16) y
  C10 H10A .  .9600 ?
  C11 H11A .  .9602 ?
  C13 C14 . 1.4074(13) y
  C13 C18 . 1.4453(13) y
  C14 C15 . 1.3687(15) y
  C14 H14A .  .9601 ?
  C15 C16 . 1.3867(16) y
  C15 H15A .  .9600 ?
  C16 C17 . 1.3652(15) y
  C16 H16A .  .9599 ?
  C17 H17A .  .9599 ?
  O7 H7A .  .9600 ?