Poly[μ4-isonicotinato-μ3-nitrato-barium(II)]

Schuy, A.; Ruschewitz, U.

doi:10.1107/S1600536806012268

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Poly[μ₄-isonicotinato-μ₃-nitrato-barium(II)]

A. Schuy and U. Ruschewitz

The title compound, [Ba(C₆H₄NO₂)(NO₃)]_n, was formed by the hydrothermal reaction of Ba(NO₃)₂, isonicotinamide and KOH with release of ammonia. The Ba ion is ten-coordinated by nine O atoms and one N atom. Five of these O atoms derive from one monodentate and two bidentate nitrate anions. The other O atoms derive from one bidentate and two monodentate carboxylate groups of the isonicotinate anions. The coordination is completed by an N atom of the isonicotinate anion. These units are connected to form a three-dimensional framework structure.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806012268/bt2044sup1.cif Contains datablocks global_, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806012268/bt2044Isup2.hkl Contains datablock I

CCDC reference: 608372

checkCIF report

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.005 Å
R factor = 0.031
wR factor = 0.074
Data-to-parameter ratio = 22.7

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.70 mm
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O22

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: X-AREA (Stoe & Cie, 2001); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 2004); software used to prepare material for publication: SHELXL97.

Poly[µ₄-isonicotinato-µ₃-nitrato-barium(II)] top

Crystal data top

[Ba(C₆H₄NO₂)(NO₃)]	Z = 2
M_r = 321.45	F(000) = 300
Triclinic, P1	D_x = 2.523 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 5.6416 (10) Å	Cell parameters from 6816 reflections
b = 8.0487 (15) Å	θ = 2.1–32.2°
c = 9.7998 (18) Å	µ = 4.69 mm⁻¹
α = 93.525 (15)°	T = 295 K
β = 106.058 (14)°	Column, colourless
γ = 96.254 (15)°	0.7 × 0.3 × 0.2 mm
V = 423.12 (13) Å³

Data collection top

Stoe IPDS-II diffractometer	2928 independent reflections
Radiation source: fine-focus sealed tube	2604 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.040
ω and φ scans	θ_max = 32.2°, θ_min = 2.2°
Absorption correction: numerical [X-RED32 (Stoe & Cie, 2001) after optimizing the crystal shape using X-SHAPE (Stoe & Cie, 1999)	h = −7→8
T_min = 0.367, T_max = 0.670	k = −12→11
6949 measured reflections	l = −14→14

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.031	H-atom parameters constrained
wR(F²) = 0.074	w = 1/[σ²(F_o²) + (0.0237P)² + 1.55P] where P = (F_o² + 2F_c²)/3
S = 1.12	(Δ/σ)_max = 0.001
2928 reflections	Δρ_max = 1.81 e Å⁻³
129 parameters	Δρ_min = −1.34 e Å⁻³
0 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.080 (3)

Special details top

Experimental. A suitable single-crystal was carefully selected under a polarizing microscope and mounted in a glass capillary. The scattering intensities were collected on an imaging plate diffractometer (IPDS II, Stoe & Cie) equipped with a fine focus sealed tube X-ray source (Mo Kα, λ = 0.71073 Å) operating at 50 kV and 40 mA.

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 of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(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

	x	y	z	U_iso*/U_eq
Ba1	0.31305 (4)	0.21683 (3)	0.05085 (2)	0.02090 (9)
O11	−0.4910 (6)	0.1001 (4)	−0.1503 (3)	0.0304 (6)
O12	−0.1046 (5)	0.0703 (4)	−0.1524 (3)	0.0272 (6)
C1	−0.3143 (7)	0.1165 (5)	−0.2062 (4)	0.0223 (6)
C2	−0.3644 (7)	0.1824 (5)	−0.3511 (4)	0.0215 (6)
C6	−0.5678 (8)	0.2636 (6)	−0.4066 (4)	0.0280 (8)
H6	−0.6694	0.2920	−0.3509	0.034 (7)*
C4	−0.2805 (8)	0.1869 (6)	−0.5777 (4)	0.0308 (8)
H4	−0.1801	0.1616	−0.6350	0.034 (7)*
C3	−0.2142 (7)	0.1470 (6)	−0.4371 (4)	0.0265 (7)
H3	−0.0712	0.0972	−0.4012	0.034 (7)*
C5	−0.6179 (8)	0.3021 (6)	−0.5468 (4)	0.0312 (8)
H5	−0.7523	0.3602	−0.5823	0.034 (7)*
N1	−0.4837 (7)	0.2604 (5)	−0.6342 (4)	0.0305 (7)
N2	−0.1035 (6)	0.4325 (4)	0.1387 (3)	0.0241 (6)
O21	−0.2884 (6)	0.5109 (4)	0.1280 (4)	0.0357 (7)
O23	−0.1332 (6)	0.2758 (4)	0.1359 (4)	0.0326 (6)
O22	0.1083 (6)	0.5084 (5)	0.1506 (4)	0.0386 (7)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ba1	0.02277 (12)	0.02352 (12)	0.01804 (12)	0.00532 (7)	0.00710 (7)	0.00460 (7)
O11	0.0343 (15)	0.0373 (16)	0.0250 (13)	0.0068 (12)	0.0157 (12)	0.0064 (12)
O12	0.0262 (13)	0.0304 (14)	0.0230 (12)	0.0043 (11)	0.0030 (10)	0.0056 (11)
C1	0.0278 (17)	0.0226 (16)	0.0168 (14)	0.0027 (13)	0.0068 (13)	0.0030 (12)
C2	0.0254 (16)	0.0211 (15)	0.0172 (14)	0.0006 (12)	0.0052 (12)	0.0029 (12)
C6	0.0301 (19)	0.032 (2)	0.0231 (17)	0.0081 (15)	0.0081 (14)	0.0044 (14)
C4	0.033 (2)	0.041 (2)	0.0203 (16)	0.0034 (17)	0.0103 (15)	0.0070 (15)
C3	0.0259 (17)	0.035 (2)	0.0197 (15)	0.0064 (15)	0.0067 (13)	0.0059 (14)
C5	0.034 (2)	0.033 (2)	0.0241 (18)	0.0081 (17)	0.0025 (16)	0.0071 (15)
N1	0.0348 (18)	0.0328 (18)	0.0210 (15)	0.0007 (14)	0.0044 (13)	0.0049 (13)
N2	0.0268 (15)	0.0278 (15)	0.0180 (13)	0.0074 (12)	0.0054 (11)	0.0040 (11)
O21	0.0378 (17)	0.0366 (17)	0.0398 (17)	0.0184 (14)	0.0157 (14)	0.0129 (14)
O23	0.0387 (16)	0.0240 (14)	0.0383 (16)	0.0066 (12)	0.0146 (14)	0.0064 (12)
O22	0.0313 (16)	0.0370 (17)	0.0455 (19)	−0.0032 (13)	0.0114 (14)	−0.0003 (14)

Geometric parameters (Å, º) top

Ba1—O11ⁱ	2.682 (3)	C1—C2	1.511 (5)
Ba1—O12	2.724 (3)	C2—C6	1.379 (5)
Ba1—O12ⁱⁱ	2.838 (3)	C2—C3	1.388 (5)
Ba1—O21ⁱⁱⁱ	2.881 (3)	C6—C5	1.386 (6)
Ba1—O23	2.938 (3)	C6—H6	0.9300
Ba1—O22	2.954 (4)	C4—N1	1.344 (6)
Ba1—O11ⁱⁱ	2.964 (3)	C4—C3	1.391 (5)
Ba1—N1^iv	2.964 (4)	C4—H4	0.9300
Ba1—O23ⁱ	2.978 (3)	C3—H3	0.9300
Ba1—O21ⁱ	2.985 (4)	C5—N1	1.341 (6)
Ba1—C1ⁱⁱ	3.164 (4)	C5—H5	0.9300
Ba1—N2	3.332 (3)	N2—O23	1.251 (5)
O11—C1	1.262 (5)	N2—O22	1.253 (5)
O12—C1	1.261 (5)	N2—O21	1.260 (4)

O11ⁱ—Ba1—O12	78.98 (10)	O11ⁱ—Ba1—N2	149.01 (9)
O11ⁱ—Ba1—O12ⁱⁱ	106.02 (9)	O12—Ba1—N2	80.74 (9)
O12—Ba1—O12ⁱⁱ	70.67 (9)	O12ⁱⁱ—Ba1—N2	88.89 (8)
O11ⁱ—Ba1—O21ⁱⁱⁱ	78.15 (9)	O21ⁱⁱⁱ—Ba1—N2	76.91 (8)
O12—Ba1—O21ⁱⁱⁱ	84.86 (10)	O23—Ba1—N2	21.88 (8)
O12ⁱⁱ—Ba1—O21ⁱⁱⁱ	153.49 (9)	O22—Ba1—N2	21.95 (9)
O11ⁱ—Ba1—O23	148.36 (10)	O11ⁱⁱ—Ba1—N2	130.13 (8)
O12—Ba1—O23	69.63 (9)	N1^iv—Ba1—N2	79.32 (10)
O12ⁱⁱ—Ba1—O23	67.63 (8)	O23ⁱ—Ba1—N2	131.59 (9)
O21ⁱⁱⁱ—Ba1—O23	94.82 (9)	O21ⁱ—Ba1—N2	93.43 (9)
O11ⁱ—Ba1—O22	143.83 (10)	C1ⁱⁱ—Ba1—N2	107.00 (9)
O12—Ba1—O22	98.43 (10)	C1—O11—Ba1^v	147.0 (3)
O12ⁱⁱ—Ba1—O22	107.00 (9)	C1—O11—Ba1ⁱⁱ	87.2 (2)
O21ⁱⁱⁱ—Ba1—O22	65.71 (10)	Ba1^v—O11—Ba1ⁱⁱ	104.52 (9)
O23—Ba1—O22	43.09 (9)	C1—O12—Ba1	133.3 (3)
O11ⁱ—Ba1—O11ⁱⁱ	75.48 (9)	C1—O12—Ba1ⁱⁱ	93.0 (2)
O12—Ba1—O11ⁱⁱ	96.24 (9)	Ba1—O12—Ba1ⁱⁱ	109.33 (9)
O12ⁱⁱ—Ba1—O11ⁱⁱ	45.02 (8)	O12—C1—O11	123.7 (3)
O21ⁱⁱⁱ—Ba1—O11ⁱⁱ	152.85 (8)	O12—C1—C2	118.3 (3)
O23—Ba1—O11ⁱⁱ	111.06 (8)	O11—C1—C2	117.9 (3)
O22—Ba1—O11ⁱⁱ	140.09 (9)	O12—C1—Ba1ⁱⁱ	63.6 (2)
O11ⁱ—Ba1—N1^iv	130.54 (10)	O11—C1—Ba1ⁱⁱ	69.3 (2)
O12—Ba1—N1^iv	139.25 (10)	C2—C1—Ba1ⁱⁱ	143.3 (2)
O12ⁱⁱ—Ba1—N1^iv	73.76 (10)	C6—C2—C3	118.5 (3)
O21ⁱⁱⁱ—Ba1—N1^iv	123.98 (11)	C6—C2—C1	122.2 (3)
O23—Ba1—N1^iv	78.97 (10)	C3—C2—C1	119.0 (3)
O22—Ba1—N1^iv	73.58 (11)	C2—C6—C5	118.8 (4)
O11ⁱⁱ—Ba1—N1^iv	71.13 (10)	C2—C6—H6	120.6
O11ⁱ—Ba1—O23ⁱ	66.52 (10)	C5—C6—H6	120.6
O12—Ba1—O23ⁱ	145.37 (9)	N1—C4—C3	122.8 (4)
O12ⁱⁱ—Ba1—O23ⁱ	115.17 (8)	N1—C4—H4	118.6
O21ⁱⁱⁱ—Ba1—O23ⁱ	90.72 (9)	C3—C4—H4	118.6
O23—Ba1—O23ⁱ	144.99 (13)	C2—C3—C4	119.1 (4)
O22—Ba1—O23ⁱ	110.95 (9)	C2—C3—H3	120.5
O11ⁱⁱ—Ba1—O23ⁱ	72.99 (9)	C4—C3—H3	120.5
N1^iv—Ba1—O23ⁱ	69.42 (10)	N1—C5—C6	123.7 (4)
O11ⁱ—Ba1—O21ⁱ	89.70 (10)	N1—C5—H5	118.2
O12—Ba1—O21ⁱ	144.55 (9)	C6—C5—H5	118.2
O12ⁱⁱ—Ba1—O21ⁱ	144.57 (9)	C5—N1—C4	117.0 (3)
O21ⁱⁱⁱ—Ba1—O21ⁱ	59.85 (12)	C5—N1—Ba1^vi	123.1 (3)
O23—Ba1—O21ⁱ	113.59 (9)	C4—N1—Ba1^vi	116.7 (3)
O22—Ba1—O21ⁱ	71.48 (9)	O23—N2—O22	119.5 (3)
O11ⁱⁱ—Ba1—O21ⁱ	113.41 (9)	O23—N2—O21	119.2 (4)
N1^iv—Ba1—O21ⁱ	71.98 (10)	O22—N2—O21	121.2 (4)
O23ⁱ—Ba1—O21ⁱ	42.61 (8)	O23—N2—Ba1	61.0 (2)
O11ⁱ—Ba1—C1ⁱⁱ	95.72 (10)	O22—N2—Ba1	61.8 (2)
O12—Ba1—C1ⁱⁱ	88.64 (9)	O21—N2—Ba1	161.1 (3)
O12ⁱⁱ—Ba1—C1ⁱⁱ	23.45 (9)	N2—O21—Ba1ⁱⁱⁱ	115.2 (2)
O21ⁱⁱⁱ—Ba1—C1ⁱⁱ	171.80 (10)	N2—O21—Ba1^v	98.4 (2)
O23—Ba1—C1ⁱⁱ	87.59 (9)	Ba1ⁱⁱⁱ—O21—Ba1^v	120.15 (12)
O22—Ba1—C1ⁱⁱ	120.38 (10)	N2—O23—Ba1	97.1 (2)
O11ⁱⁱ—Ba1—C1ⁱⁱ	23.48 (9)	N2—O23—Ba1^v	98.9 (2)
N1^iv—Ba1—C1ⁱⁱ	64.16 (10)	Ba1—O23—Ba1^v	144.99 (13)
O23ⁱ—Ba1—C1ⁱⁱ	91.79 (9)	N2—O22—Ba1	96.2 (2)
O21ⁱ—Ba1—C1ⁱⁱ	126.14 (9)

O11ⁱ—Ba1—O12—C1	−134.6 (3)	O23—Ba1—N2—O22	159.4 (4)
O12ⁱⁱ—Ba1—O12—C1	113.9 (4)	O11ⁱⁱ—Ba1—N2—O22	126.3 (2)
O21ⁱⁱⁱ—Ba1—O12—C1	−55.7 (3)	N1^iv—Ba1—N2—O22	72.4 (2)
O23—Ba1—O12—C1	41.4 (3)	O23ⁱ—Ba1—N2—O22	22.7 (3)
O22—Ba1—O12—C1	8.8 (3)	O21ⁱ—Ba1—N2—O22	1.5 (2)
O11ⁱⁱ—Ba1—O12—C1	151.6 (3)	C1ⁱⁱ—Ba1—N2—O22	131.0 (2)
N1^iv—Ba1—O12—C1	83.4 (4)	O11ⁱ—Ba1—N2—O21	10.9 (9)
O23ⁱ—Ba1—O12—C1	−139.5 (3)	O12—Ba1—N2—O21	−38.8 (8)
O21ⁱ—Ba1—O12—C1	−61.0 (4)	O12ⁱⁱ—Ba1—N2—O21	−109.4 (8)
C1ⁱⁱ—Ba1—O12—C1	129.3 (3)	O21ⁱⁱⁱ—Ba1—N2—O21	48.1 (9)
N2—Ba1—O12—C1	21.8 (3)	O23—Ba1—N2—O21	−96.1 (9)
O11ⁱ—Ba1—O12—Ba1ⁱⁱ	111.48 (12)	O22—Ba1—N2—O21	104.5 (9)
O12ⁱⁱ—Ba1—O12—Ba1ⁱⁱ	0.0	O11ⁱⁱ—Ba1—N2—O21	−129.2 (8)
O21ⁱⁱⁱ—Ba1—O12—Ba1ⁱⁱ	−169.62 (11)	N1^iv—Ba1—N2—O21	176.9 (9)
O23—Ba1—O12—Ba1ⁱⁱ	−72.54 (10)	O23ⁱ—Ba1—N2—O21	127.2 (8)
O22—Ba1—O12—Ba1ⁱⁱ	−105.14 (11)	O21ⁱ—Ba1—N2—O21	106.0 (8)
O11ⁱⁱ—Ba1—O12—Ba1ⁱⁱ	37.64 (11)	C1ⁱⁱ—Ba1—N2—O21	−124.5 (8)
N1^iv—Ba1—O12—Ba1ⁱⁱ	−30.6 (2)	O23—N2—O21—Ba1ⁱⁱⁱ	−138.6 (3)
O23ⁱ—Ba1—O12—Ba1ⁱⁱ	106.57 (15)	O22—N2—O21—Ba1ⁱⁱⁱ	40.6 (5)
O21ⁱ—Ba1—O12—Ba1ⁱⁱ	−174.94 (11)	Ba1—N2—O21—Ba1ⁱⁱⁱ	−53.2 (9)
C1ⁱⁱ—Ba1—O12—Ba1ⁱⁱ	15.39 (11)	O23—N2—O21—Ba1^v	−9.6 (4)
N2—Ba1—O12—Ba1ⁱⁱ	−92.08 (11)	O22—N2—O21—Ba1^v	169.6 (3)
Ba1—O12—C1—O11	−83.8 (5)	Ba1—N2—O21—Ba1^v	75.9 (8)
Ba1ⁱⁱ—O12—C1—O11	36.4 (4)	O22—N2—O23—Ba1	−20.9 (4)
Ba1—O12—C1—C2	101.2 (4)	O21—N2—O23—Ba1	158.4 (3)
Ba1ⁱⁱ—O12—C1—C2	−138.5 (3)	O22—N2—O23—Ba1^v	−169.6 (3)
Ba1—O12—C1—Ba1ⁱⁱ	−120.3 (3)	O21—N2—O23—Ba1^v	9.6 (4)
Ba1^v—O11—C1—O12	78.0 (6)	Ba1—N2—O23—Ba1^v	−148.76 (18)
Ba1ⁱⁱ—O11—C1—O12	−34.6 (4)	O11ⁱ—Ba1—O23—N2	−110.1 (3)
Ba1^v—O11—C1—C2	−107.0 (5)	O12—Ba1—O23—N2	−117.6 (2)
Ba1ⁱⁱ—O11—C1—C2	140.3 (3)	O12ⁱⁱ—Ba1—O23—N2	165.6 (3)
Ba1^v—O11—C1—Ba1ⁱⁱ	112.7 (4)	O21ⁱⁱⁱ—Ba1—O23—N2	−34.9 (2)
O12—C1—C2—C6	−167.9 (4)	O22—Ba1—O23—N2	11.1 (2)
O11—C1—C2—C6	16.9 (6)	O11ⁱⁱ—Ba1—O23—N2	153.4 (2)
Ba1ⁱⁱ—C1—C2—C6	109.2 (5)	N1^iv—Ba1—O23—N2	88.8 (2)
O12—C1—C2—C3	18.2 (6)	O23ⁱ—Ba1—O23—N2	63.2 (3)
O11—C1—C2—C3	−157.1 (4)	O21ⁱ—Ba1—O23—N2	24.2 (3)
Ba1ⁱⁱ—C1—C2—C3	−64.7 (6)	C1ⁱⁱ—Ba1—O23—N2	152.9 (2)
C3—C2—C6—C5	1.8 (6)	O11ⁱ—Ba1—O23—Ba1^v	6.7 (3)
C1—C2—C6—C5	−172.2 (4)	O12—Ba1—O23—Ba1^v	−0.88 (18)
C6—C2—C3—C4	−3.1 (6)	O12ⁱⁱ—Ba1—O23—Ba1^v	−77.65 (19)
C1—C2—C3—C4	171.1 (4)	O21ⁱⁱⁱ—Ba1—O23—Ba1^v	81.8 (2)
N1—C4—C3—C2	0.7 (7)	O22—Ba1—O23—Ba1^v	127.8 (3)
C2—C6—C5—N1	2.1 (7)	O11ⁱⁱ—Ba1—O23—Ba1^v	−89.8 (2)
C6—C5—N1—C4	−4.4 (7)	N1^iv—Ba1—O23—Ba1^v	−154.5 (2)
C6—C5—N1—Ba1^vi	154.9 (4)	O23ⁱ—Ba1—O23—Ba1^v	180.0
C3—C4—N1—C5	3.0 (7)	O21ⁱ—Ba1—O23—Ba1^v	140.93 (18)
C3—C4—N1—Ba1^vi	−157.6 (4)	C1ⁱⁱ—Ba1—O23—Ba1^v	−90.3 (2)
O11ⁱ—Ba1—N2—O23	106.9 (3)	N2—Ba1—O23—Ba1^v	116.8 (3)
O12—Ba1—N2—O23	57.3 (2)	O23—N2—O22—Ba1	20.7 (4)
O12ⁱⁱ—Ba1—N2—O23	−13.3 (2)	O21—N2—O22—Ba1	−158.5 (3)
O21ⁱⁱⁱ—Ba1—N2—O23	144.1 (2)	O11ⁱ—Ba1—O22—N2	119.4 (2)
O22—Ba1—N2—O23	−159.4 (4)	O12—Ba1—O22—N2	36.6 (2)
O11ⁱⁱ—Ba1—N2—O23	−33.1 (3)	O12ⁱⁱ—Ba1—O22—N2	−35.7 (3)
N1^iv—Ba1—N2—O23	−87.0 (2)	O21ⁱⁱⁱ—Ba1—O22—N2	117.1 (3)
O23ⁱ—Ba1—N2—O23	−136.8 (3)	O23—Ba1—O22—N2	−11.1 (2)
O21ⁱ—Ba1—N2—O23	−157.9 (2)	O11ⁱⁱ—Ba1—O22—N2	−73.8 (3)
C1ⁱⁱ—Ba1—N2—O23	−28.4 (2)	N1^iv—Ba1—O22—N2	−102.4 (2)
O11ⁱ—Ba1—N2—O22	−93.6 (3)	O23ⁱ—Ba1—O22—N2	−162.0 (2)
O12—Ba1—N2—O22	−143.3 (2)	O21ⁱ—Ba1—O22—N2	−178.4 (3)
O12ⁱⁱ—Ba1—N2—O22	146.1 (2)	C1ⁱⁱ—Ba1—O22—N2	−56.8 (3)
O21ⁱⁱⁱ—Ba1—N2—O22	−56.5 (2)

Symmetry codes: (i) x+1, y, z; (ii) −x, −y, −z; (iii) −x, −y+1, −z; (iv) x+1, y, z+1; (v) x−1, y, z; (vi) x−1, y, z−1.

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