addenda and errata\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2056-9890

[Bis(2-pyrid­yl)amine-N,N′](nitrato-O,O′)cobalt(II) nitrate. Corrigendum

aDepartamento de Química Inorgánica, Facultad de Ciencias, Universidad del País Vasco, Apdo. 644, E-48080 Bilbao, Spain, and bDepartamento de Química Inorgánica, Facultad de Ciencias, Universidad del País Vasco, Apdo. 644, E-48080 Bilbao, Spain
*Correspondence e-mail: qipluara@lg.ehu.es

(Received 11 October 2010; accepted 3 December 2010; online 12 February 2011)

The chemical name and formula in the paper by Castillo, Luque, De la Pinta & Román [Acta Cryst. (2001), E57, m384–m386 ] is corrected.

In the paper by Castillo, Luque, De la Pinta & Román (2001[Castillo, O., Luque, A., De la Pinta, N. & Román, P. (2001). Acta Cryst. E57, m384-m386.]), the ligand reported as nitrate should be carbonate and the oxidation state of the cobalt metal atom should be CoIII rather than CoII, thus making the correct chemical composition [Co(CO3)(C10H9N3)2]NO3 and the correct chemical name `[Bis(2-pyri­dyl)amine-κ2N,N′](carbonato-κ2O,O′)cobalt(III) nitrate'.

2. Experimental

2.1.1. Crystal data
  • [Co(CO3)(C10H9N3)2]NO3

  • Mr = 523.35

  • Monoclinic, P 21 /n

  • a = 17.191 (3) Å

  • b = 7.3080 (10) Å

  • c = 17.843 (5) Å

  • β = 104.94 (3)°

  • V = 2165.9 (8) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 0.85 mm−1

  • T = 293 K

  • 0.42 × 0.20 × 0.08 mm

2.1.2. Data collection
  • Stoe IPDS diffractometer

  • Absorption correction: numerical (Stoe & Cie, 1998[Stoe & Cie (1998). IPDS Software. Stoe & Cie, Darmstadt, Germany.]) Tmin = 0.815, Tmax = 0.934

  • 14084 measured reflections

  • 4037 independent reflections

  • 2598 reflections with I > 2σ(I)

  • Rint = 0.048

2.1.3. Refinement
  • R[F2 > 2σ(F2)] = 0.031

  • wR(F2) = 0.076

  • S = 0.82

  • 4037 reflections

  • 316 parameters

  • H-atom parameters constrained

  • Δρmax = 0.37 e Å−3

  • Δρmin = −0.31 e Å−3

Data collection, cell refinement and data reduction: IPDS Software (Stoe & Cie, 1998[Stoe & Cie (1998). IPDS Software. Stoe & Cie, Darmstadt, Germany.]); program(s) used to solve structure: SIR92 (Altomare et al., 1993[Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343-350.]); program(s) used to refine structure: SHELXL93 (Sheldrick, 1993[Sheldrick, G. M. (1993). SHELXL93. University of Göttingen, Germany.]).

Supporting information


Computing details top

Data collection: IPDS Software (Stoe & Cie, 1998); cell refinement: IPDS Software (Stoe & Cie, 1998); data reduction: IPDS Software (Stoe & Cie, 1998); program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL93 (Sheldrick, 1993); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Figures top
[Figure 1] Fig. 1.  
[Bis(2-pyridyl)amine-κ2N,N'](carbonato- κ2O,O')cobalt(III) nitrate top
Crystal data top
[Co(CO3)(C10H9N3)2]NO3F(000) = 1072
Mr = 523.35Dx = 1.605 Mg m3
Dm = 1.620 (10) Mg m3
Dm measured by flotation in a mixture of carbon tetrachloride and bromoform
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 14084 reflections
a = 17.191 (3) Åθ = 2.5–25.8°
b = 7.308 (1) ŵ = 0.85 mm1
c = 17.843 (5) ÅT = 293 K
β = 104.94 (3)°Irregular, red
V = 2165.9 (8) Å30.42 × 0.20 × 0.08 mm
Z = 4
Data collection top
Stoe IPDS
diffractometer
2598 reflections with I > 2σ(I)
Radiation source: x-ray tubeRint = 0.048
area detection scansθmax = 25.8°, θmin = 2.5°
Absorption correction: numerical
(Stoe & Cie, 1998)
h = 2120
Tmin = 0.815, Tmax = 0.934k = 88
14084 measured reflectionsl = 2121
4037 independent reflections
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.031 w = 1/[σ2(Fo2) + (0.0477P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.076(Δ/σ)max < 0.001
S = 0.82Δρmax = 0.37 e Å3
4037 reflectionsΔρmin = 0.31 e Å3
316 parameters
Crystal data top
[Co(CO3)(C10H9N3)2]NO3V = 2165.9 (8) Å3
Mr = 523.35Z = 4
Monoclinic, P21/nMo Kα radiation
a = 17.191 (3) ŵ = 0.85 mm1
b = 7.308 (1) ÅT = 293 K
c = 17.843 (5) Å0.42 × 0.20 × 0.08 mm
β = 104.94 (3)°
Data collection top
Stoe IPDS
diffractometer
4037 independent reflections
Absorption correction: numerical
(Stoe & Cie, 1998)
2598 reflections with I > 2σ(I)
Tmin = 0.815, Tmax = 0.934Rint = 0.048
14084 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0310 restraints
wR(F2) = 0.076H-atom parameters constrained
S = 0.82Δρmax = 0.37 e Å3
4037 reflectionsΔρmin = 0.31 e Å3
316 parameters
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement on F2 for ALL reflections except for 0 with very negative F2 or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating _refine_ls_R_factor_gt etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Co10.208061 (17)0.99837 (6)0.017580 (17)0.02336 (10)
O10.23991 (9)1.2048 (3)0.08392 (10)0.0312 (4)
O20.12415 (9)1.1761 (3)0.00121 (10)0.0303 (4)
O30.14776 (12)1.4292 (3)0.07612 (14)0.0527 (6)
C10.16896 (15)1.2835 (4)0.05558 (16)0.0334 (6)
N110.16489 (11)0.8897 (3)0.09726 (11)0.0272 (5)
N170.04511 (11)0.8079 (3)0.00592 (11)0.0292 (5)
H170.00380.77800.00200.035*
N190.14971 (11)0.8210 (3)0.05761 (11)0.0264 (5)
N210.30490 (11)0.8520 (3)0.04848 (11)0.0263 (5)
N270.38277 (11)1.1071 (3)0.03429 (12)0.0296 (5)
H270.43621.15830.04830.050*
N290.25563 (11)1.1244 (3)0.05511 (11)0.0259 (5)
C120.20818 (16)0.8977 (5)0.17273 (14)0.0368 (7)
H120.26180.93380.18360.044*
C130.17653 (18)0.8552 (5)0.23277 (16)0.0475 (8)
H130.20800.85960.28360.057*
C140.09590 (18)0.8048 (5)0.21652 (17)0.0476 (8)
H140.07230.77980.25680.057*
C150.05152 (16)0.7923 (4)0.14141 (16)0.0388 (7)
H150.00250.75880.12990.047*
C160.08865 (14)0.8307 (4)0.08200 (14)0.0286 (6)
C180.07418 (14)0.7711 (4)0.05744 (14)0.0270 (6)
C220.30150 (15)0.6729 (4)0.06686 (15)0.0310 (6)
H220.25170.61490.05510.037*
C230.36824 (16)0.5742 (4)0.10194 (15)0.0360 (7)
H230.36430.45050.11260.043*
C240.44253 (16)0.6626 (4)0.12152 (16)0.0371 (7)
H240.48850.60060.14860.045*
C250.44716 (15)0.8400 (4)0.10075 (15)0.0368 (7)
H250.49660.89990.11280.044*
C260.37755 (14)0.9325 (4)0.06117 (14)0.0257 (6)
C280.33230 (13)1.1815 (4)0.03170 (14)0.0262 (6)
C1100.17778 (16)0.7693 (4)0.11929 (15)0.0337 (7)
H1100.23090.79580.11840.040*
C1110.13110 (17)0.6804 (4)0.18228 (15)0.0403 (7)
H1110.15180.64890.22380.048*
C1120.05219 (18)0.6379 (5)0.18306 (16)0.0459 (8)
H1120.01890.57990.22590.055*
C1130.02388 (16)0.6817 (4)0.12057 (16)0.0402 (7)
H1130.02860.65220.12010.048*
C2100.21007 (15)1.1863 (4)0.12503 (14)0.0333 (7)
H2100.15701.14670.14220.040*
C2110.23921 (17)1.3034 (5)0.17036 (15)0.0408 (7)
H2110.20821.33570.21940.049*
C2120.31612 (17)1.3739 (4)0.14214 (16)0.0414 (7)
H2120.33581.46130.17050.050*
C2130.36287 (15)1.3141 (4)0.07247 (15)0.0343 (6)
H2130.41431.36120.05260.041*
O40.53958 (14)0.2616 (4)0.07243 (14)0.0776 (9)
O50.55625 (16)0.2594 (5)0.19487 (16)0.0915 (10)
O60.63851 (15)0.1193 (4)0.14682 (14)0.0788 (9)
N10.57871 (13)0.2135 (4)0.13843 (14)0.0422 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.01698 (14)0.0260 (2)0.02727 (16)0.00198 (16)0.00593 (10)0.00171 (17)
O10.0240 (9)0.0335 (13)0.0360 (9)0.0073 (8)0.0077 (7)0.0083 (8)
O20.0193 (8)0.0297 (12)0.0413 (10)0.0005 (8)0.0064 (7)0.0016 (8)
O30.0444 (12)0.0309 (15)0.0910 (17)0.0032 (9)0.0320 (12)0.0187 (11)
C10.0273 (13)0.029 (2)0.0489 (16)0.0061 (12)0.0189 (12)0.0044 (13)
N110.0226 (10)0.0309 (15)0.0285 (11)0.0006 (9)0.0075 (8)0.0024 (9)
N170.0180 (10)0.0356 (15)0.0348 (12)0.0048 (9)0.0081 (8)0.0040 (10)
N190.0238 (10)0.0274 (14)0.0286 (11)0.0016 (9)0.0077 (8)0.0023 (9)
N210.0221 (10)0.0276 (15)0.0292 (11)0.0014 (9)0.0067 (8)0.0001 (9)
N270.0196 (10)0.0305 (16)0.0362 (12)0.0046 (9)0.0027 (9)0.0032 (10)
N290.0212 (10)0.0255 (15)0.0309 (11)0.0012 (9)0.0066 (9)0.0011 (9)
C120.0308 (14)0.047 (2)0.0304 (14)0.0005 (13)0.0048 (11)0.0027 (13)
C130.0497 (17)0.065 (3)0.0288 (15)0.0016 (16)0.0109 (13)0.0004 (14)
C140.0548 (18)0.058 (2)0.0374 (16)0.0080 (16)0.0255 (14)0.0009 (15)
C150.0331 (14)0.044 (2)0.0448 (17)0.0084 (13)0.0192 (12)0.0034 (14)
C160.0264 (13)0.0239 (17)0.0367 (14)0.0003 (11)0.0105 (11)0.0014 (11)
C180.0238 (12)0.0241 (17)0.0318 (13)0.0012 (11)0.0051 (10)0.0020 (11)
C220.0272 (13)0.0292 (19)0.0374 (14)0.0049 (12)0.0101 (11)0.0010 (12)
C230.0407 (16)0.0305 (18)0.0394 (15)0.0032 (12)0.0151 (12)0.0037 (12)
C240.0307 (14)0.038 (2)0.0410 (15)0.0100 (12)0.0066 (12)0.0093 (13)
C250.0229 (13)0.040 (2)0.0444 (16)0.0006 (12)0.0032 (11)0.0031 (13)
C260.0237 (12)0.0258 (17)0.0279 (13)0.0012 (10)0.0073 (10)0.0027 (11)
C280.0211 (12)0.0284 (18)0.0303 (13)0.0006 (11)0.0087 (10)0.0023 (11)
C1100.0336 (14)0.0332 (19)0.0375 (15)0.0004 (12)0.0152 (11)0.0026 (12)
C1110.0507 (17)0.037 (2)0.0344 (15)0.0013 (14)0.0130 (13)0.0035 (13)
C1120.0496 (18)0.046 (2)0.0364 (16)0.0112 (15)0.0008 (13)0.0112 (14)
C1130.0315 (14)0.045 (2)0.0413 (16)0.0094 (13)0.0043 (12)0.0042 (14)
C2100.0259 (13)0.038 (2)0.0326 (14)0.0016 (12)0.0014 (11)0.0021 (12)
C2110.0472 (17)0.043 (2)0.0305 (14)0.0032 (14)0.0067 (12)0.0060 (13)
C2120.0491 (17)0.038 (2)0.0411 (16)0.0024 (14)0.0188 (13)0.0104 (14)
C2130.0302 (14)0.0324 (19)0.0426 (15)0.0052 (12)0.0138 (12)0.0004 (13)
O40.0512 (14)0.106 (3)0.0602 (15)0.0266 (14)0.0127 (12)0.0321 (15)
O50.0806 (18)0.131 (3)0.0775 (18)0.0419 (18)0.0468 (16)0.0180 (18)
O60.0589 (15)0.101 (2)0.0700 (16)0.0344 (15)0.0055 (13)0.0195 (15)
N10.0273 (12)0.0479 (19)0.0486 (15)0.0107 (12)0.0046 (11)0.0006 (13)
Geometric parameters (Å, º) top
Co1—O21.9067 (18)C15—C161.400 (4)
Co1—O11.9083 (18)C15—H150.9300
Co1—N111.935 (2)C18—C1131.393 (4)
Co1—N211.935 (2)C22—C231.363 (4)
Co1—N291.936 (2)C22—H220.9300
Co1—N191.947 (2)C23—C241.393 (4)
Co1—C12.343 (3)C23—H230.9300
O1—C11.325 (3)C24—C251.356 (4)
O2—C11.329 (3)C24—H240.9300
O3—C11.212 (3)C25—C261.397 (4)
N11—C161.340 (3)C25—H250.9300
N11—C121.362 (3)C28—C2131.394 (4)
N17—C181.375 (3)C110—C1111.365 (4)
N17—C161.381 (3)C110—H1100.9300
N17—H170.8447C111—C1121.388 (4)
N19—C181.350 (3)C111—H1110.9300
N19—C1101.364 (3)C112—C1131.365 (4)
N21—C261.346 (3)C112—H1120.9300
N21—C221.355 (4)C113—H1130.9300
N27—C261.374 (3)C210—C2111.359 (4)
N27—C281.381 (3)C210—H2100.9300
N27—H270.9632C211—C2121.387 (4)
N29—C281.342 (3)C211—H2110.9300
N29—C2101.368 (3)C212—C2131.366 (4)
C12—C131.357 (4)C212—H2120.9300
C12—H120.9300C213—H2130.9300
C13—C141.390 (4)O4—N11.247 (3)
C13—H130.9300O5—N11.215 (3)
C14—C151.364 (4)O6—N11.214 (3)
C14—H140.9300
O2—Co1—O168.99 (8)C13—C14—H14120.1
O2—Co1—N1188.49 (8)C14—C15—C16118.8 (2)
O1—Co1—N1188.37 (8)C14—C15—H15120.6
O2—Co1—N21168.88 (8)C16—C15—H15120.6
O1—Co1—N2199.89 (8)N11—C16—N17119.5 (2)
N11—Co1—N2191.64 (9)N11—C16—C15121.6 (2)
O2—Co1—N2990.39 (8)N17—C16—C15118.9 (2)
O1—Co1—N2986.35 (8)N19—C18—N17120.2 (2)
N11—Co1—N29174.65 (9)N19—C18—C113121.5 (2)
N21—Co1—N2988.44 (9)N17—C18—C113118.4 (2)
O2—Co1—N1996.48 (8)N21—C22—C23122.6 (2)
O1—Co1—N19165.44 (8)N21—C22—H22118.7
N11—Co1—N1990.35 (9)C23—C22—H22118.7
N21—Co1—N1994.64 (9)C22—C23—C24118.6 (3)
N29—Co1—N1994.97 (9)C22—C23—H23120.7
O2—Co1—C134.55 (8)C24—C23—H23120.7
O1—Co1—C134.45 (8)C25—C24—C23119.3 (3)
N11—Co1—C187.67 (9)C25—C24—H24120.4
N21—Co1—C1134.34 (9)C23—C24—H24120.4
N29—Co1—C188.45 (9)C24—C25—C26119.8 (3)
N19—Co1—C1131.01 (9)C24—C25—H25120.1
C1—O1—Co191.03 (15)C26—C25—H25120.1
C1—O2—Co191.00 (15)N21—C26—N27119.2 (2)
O3—C1—O1125.8 (3)N21—C26—C25120.7 (3)
O3—C1—O2125.2 (3)N27—C26—C25120.1 (2)
O1—C1—O2109.0 (2)N29—C28—N27119.6 (2)
O3—C1—Co1178.6 (2)N29—C28—C213121.7 (2)
O1—C1—Co154.52 (13)N27—C28—C213118.7 (2)
O2—C1—Co154.46 (13)C111—C110—N19122.7 (2)
C16—N11—C12118.1 (2)C111—C110—H110118.6
C16—N11—Co1121.55 (17)N19—C110—H110118.6
C12—N11—Co1119.59 (17)C110—C111—C112118.7 (3)
C18—N17—C16127.72 (19)C110—C111—H111120.6
C18—N17—H17111.6C112—C111—H111120.6
C16—N17—H17117.4C113—C112—C111119.5 (3)
C18—N19—C110117.9 (2)C113—C112—H112120.2
C18—N19—Co1120.23 (17)C111—C112—H112120.2
C110—N19—Co1120.91 (17)C112—C113—C18119.5 (2)
C26—N21—C22118.5 (2)C112—C113—H113120.2
C26—N21—Co1119.95 (18)C18—C113—H113120.2
C22—N21—Co1121.02 (16)C211—C210—N29122.6 (2)
C26—N27—C28125.4 (2)C211—C210—H210118.7
C26—N27—H27114.4N29—C210—H210118.7
C28—N27—H27114.6C210—C211—C212118.7 (3)
C28—N29—C210117.8 (2)C210—C211—H211120.6
C28—N29—Co1119.33 (16)C212—C211—H211120.6
C210—N29—Co1121.81 (16)C213—C212—C211119.6 (3)
C13—C12—N11122.9 (3)C213—C212—H212120.2
C13—C12—H12118.6C211—C212—H212120.2
N11—C12—H12118.6C212—C213—C28119.0 (2)
C12—C13—C14118.5 (3)C212—C213—H213120.5
C12—C13—H13120.8C28—C213—H213120.5
C14—C13—H13120.8O6—N1—O5119.6 (3)
C15—C14—C13119.9 (3)O6—N1—O4120.7 (3)
C15—C14—H14120.1O5—N1—O4119.7 (3)

Experimental details

Crystal data
Chemical formula[Co(CO3)(C10H9N3)2]NO3
Mr523.35
Crystal system, space groupMonoclinic, P21/n
Temperature (K)293
a, b, c (Å)17.191 (3), 7.308 (1), 17.843 (5)
β (°) 104.94 (3)
V3)2165.9 (8)
Z4
Radiation typeMo Kα
µ (mm1)0.85
Crystal size (mm)0.42 × 0.20 × 0.08
Data collection
DiffractometerStoe IPDS
diffractometer
Absorption correctionNumerical
(Stoe & Cie, 1998)
Tmin, Tmax0.815, 0.934
No. of measured, independent and
observed [I > 2σ(I)] reflections
14084, 4037, 2598
Rint0.048
(sin θ/λ)max1)0.613
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.031, 0.076, 0.82
No. of reflections4037
No. of parameters316
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.37, 0.31

Computer programs: IPDS Software (Stoe & Cie, 1998), SIR92 (Altomare et al., 1993), SHELXL93 (Sheldrick, 1993), ORTEP-3 (Farrugia, 1997), WinGX (Farrugia, 1999).

 

References

First citationAltomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343–350.  CrossRef Web of Science IUCr Journals Google Scholar
First citationCastillo, O., Luque, A., De la Pinta, N. & Román, P. (2001). Acta Cryst. E57, m384–m386.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationSheldrick, G. M. (1993). SHELXL93. University of Göttingen, Germany.  Google Scholar
First citationStoe & Cie (1998). IPDS Software. Stoe & Cie, Darmstadt, Germany.  Google Scholar

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