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

Castillo, O.; Luque, A.; De la Pinta, N.; Román, P.

doi:10.1107/S1600536810050798

addenda and errata

CRYSTALLOGRAPHIC
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ISSN: 2056-9890

Volume 67| Part 3| March 2011| Page e15

doi:10.1107/S1600536810050798

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

Oscar Castillo,^a Antonio Luque,^b ^* Noelia De la Pinta ^b and Pascual Román ^b

^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 ), the ligand reported as nitrate should be carbonate and the oxidation state of the cobalt metal atom should be Co^III rather than Co^II, 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
M_r = 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 ) T_min = 0.815, T_max = 0.934
14084 measured reflections
4037 independent reflections
2598 reflections with I > 2σ(I)
R_int = 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
Δρ_max = 0.37 e Å⁻³
Δρ_min = −0.31 e Å⁻³

Data collection, cell refinement and 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 ).

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810050798/bt9068sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536810050798/bt9068Isup2.hkl

checkCIF report

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

Fig. 1.

[Bis(2-pyridyl)amine-κ²N,N'](carbonato- κ²O,O')cobalt(III) nitrate top

Crystal data top

[Co(CO₃)(C₁₀H₉N₃)₂]NO₃	F(000) = 1072
M_r = 523.35	D_x = 1.605 Mg m⁻³ D_m = 1.620 (10) Mg m⁻³ D_m measured by flotation in a mixture of carbon tetrachloride and bromoform
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 14084 reflections
a = 17.191 (3) Å	θ = 2.5–25.8°
b = 7.308 (1) Å	µ = 0.85 mm⁻¹
c = 17.843 (5) Å	T = 293 K
β = 104.94 (3)°	Irregular, red
V = 2165.9 (8) Å³	0.42 × 0.20 × 0.08 mm
Z = 4

Data collection top

Stoe IPDS diffractometer	2598 reflections with I > 2σ(I)
Radiation source: x-ray tube	R_int = 0.048
area detection scans	θ_max = 25.8°, θ_min = 2.5°
Absorption correction: numerical (Stoe & Cie, 1998)	h = −21→20
T_min = 0.815, T_max = 0.934	k = −8→8
14084 measured reflections	l = −21→21
4037 independent reflections

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	H-atom parameters constrained
R[F² > 2σ(F²)] = 0.031	w = 1/[σ²(F_o²) + (0.0477P)²] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.076	(Δ/σ)_max < 0.001
S = 0.82	Δρ_max = 0.37 e Å⁻³
4037 reflections	Δρ_min = −0.31 e Å⁻³
316 parameters

Crystal data top

[Co(CO₃)(C₁₀H₉N₃)₂]NO₃	V = 2165.9 (8) Å³
M_r = 523.35	Z = 4
Monoclinic, P2₁/n	Mo Kα radiation
a = 17.191 (3) Å	µ = 0.85 mm⁻¹
b = 7.308 (1) Å	T = 293 K
c = 17.843 (5) Å	0.42 × 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)
T_min = 0.815, T_max = 0.934	R_int = 0.048
14084 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.031	0 restraints
wR(F²) = 0.076	H-atom parameters constrained
S = 0.82	Δρ_max = 0.37 e Å⁻³
4037 reflections	Δρ_min = −0.31 e Å⁻³
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

	x	y	z	U_iso*/U_eq
Co1	0.208061 (17)	0.99837 (6)	0.017580 (17)	0.02336 (10)
O1	0.23991 (9)	1.2048 (3)	0.08392 (10)	0.0312 (4)
O2	0.12415 (9)	1.1761 (3)	0.00121 (10)	0.0303 (4)
O3	0.14776 (12)	1.4292 (3)	0.07612 (14)	0.0527 (6)
C1	0.16896 (15)	1.2835 (4)	0.05558 (16)	0.0334 (6)
N11	0.16489 (11)	0.8897 (3)	0.09726 (11)	0.0272 (5)
N17	0.04511 (11)	0.8079 (3)	0.00592 (11)	0.0292 (5)
H17	−0.0038	0.7780	−0.0020	0.035*
N19	0.14971 (11)	0.8210 (3)	−0.05761 (11)	0.0264 (5)
N21	0.30490 (11)	0.8520 (3)	0.04848 (11)	0.0263 (5)
N27	0.38277 (11)	1.1071 (3)	0.03429 (12)	0.0296 (5)
H27	0.4362	1.1583	0.0483	0.050*
N29	0.25563 (11)	1.1244 (3)	−0.05511 (11)	0.0259 (5)
C12	0.20818 (16)	0.8977 (5)	0.17273 (14)	0.0368 (7)
H12	0.2618	0.9338	0.1836	0.044*
C13	0.17653 (18)	0.8552 (5)	0.23277 (16)	0.0475 (8)
H13	0.2080	0.8596	0.2836	0.057*
C14	0.09590 (18)	0.8048 (5)	0.21652 (17)	0.0476 (8)
H14	0.0723	0.7798	0.2568	0.057*
C15	0.05152 (16)	0.7923 (4)	0.14141 (16)	0.0388 (7)
H15	−0.0025	0.7588	0.1299	0.047*
C16	0.08865 (14)	0.8307 (4)	0.08200 (14)	0.0286 (6)
C18	0.07418 (14)	0.7711 (4)	−0.05744 (14)	0.0270 (6)
C22	0.30150 (15)	0.6729 (4)	0.06686 (15)	0.0310 (6)
H22	0.2517	0.6149	0.0551	0.037*
C23	0.36824 (16)	0.5742 (4)	0.10194 (15)	0.0360 (7)
H23	0.3643	0.4505	0.1126	0.043*
C24	0.44253 (16)	0.6626 (4)	0.12152 (16)	0.0371 (7)
H24	0.4885	0.6006	0.1486	0.045*
C25	0.44716 (15)	0.8400 (4)	0.10075 (15)	0.0368 (7)
H25	0.4966	0.8999	0.1128	0.044*
C26	0.37755 (14)	0.9325 (4)	0.06117 (14)	0.0257 (6)
C28	0.33230 (13)	1.1815 (4)	−0.03170 (14)	0.0262 (6)
C110	0.17778 (16)	0.7693 (4)	−0.11929 (15)	0.0337 (7)
H110	0.2309	0.7958	−0.1184	0.040*
C111	0.13110 (17)	0.6804 (4)	−0.18228 (15)	0.0403 (7)
H111	0.1518	0.6489	−0.2238	0.048*
C112	0.05219 (18)	0.6379 (5)	−0.18306 (16)	0.0459 (8)
H112	0.0189	0.5799	−0.2259	0.055*
C113	0.02388 (16)	0.6817 (4)	−0.12057 (16)	0.0402 (7)
H113	−0.0286	0.6522	−0.1201	0.048*
C210	0.21007 (15)	1.1863 (4)	−0.12503 (14)	0.0333 (7)
H210	0.1570	1.1467	−0.1422	0.040*
C211	0.23921 (17)	1.3034 (5)	−0.17036 (15)	0.0408 (7)
H211	0.2082	1.3357	−0.2194	0.049*
C212	0.31612 (17)	1.3739 (4)	−0.14214 (16)	0.0414 (7)
H212	0.3358	1.4613	−0.1705	0.050*
C213	0.36287 (15)	1.3141 (4)	−0.07247 (15)	0.0343 (6)
H213	0.4143	1.3612	−0.0526	0.041*
O4	0.53958 (14)	0.2616 (4)	0.07243 (14)	0.0776 (9)
O5	0.55625 (16)	0.2594 (5)	0.19487 (16)	0.0915 (10)
O6	0.63851 (15)	0.1193 (4)	0.14682 (14)	0.0788 (9)
N1	0.57871 (13)	0.2135 (4)	0.13843 (14)	0.0422 (6)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Co1	0.01698 (14)	0.0260 (2)	0.02727 (16)	−0.00198 (16)	0.00593 (10)	−0.00171 (17)
O1	0.0240 (9)	0.0335 (13)	0.0360 (9)	−0.0073 (8)	0.0077 (7)	−0.0083 (8)
O2	0.0193 (8)	0.0297 (12)	0.0413 (10)	−0.0005 (8)	0.0064 (7)	−0.0016 (8)
O3	0.0444 (12)	0.0309 (15)	0.0910 (17)	−0.0032 (9)	0.0320 (12)	−0.0187 (11)
C1	0.0273 (13)	0.029 (2)	0.0489 (16)	−0.0061 (12)	0.0189 (12)	−0.0044 (13)
N11	0.0226 (10)	0.0309 (15)	0.0285 (11)	0.0006 (9)	0.0075 (8)	−0.0024 (9)
N17	0.0180 (10)	0.0356 (15)	0.0348 (12)	−0.0048 (9)	0.0081 (8)	−0.0040 (10)
N19	0.0238 (10)	0.0274 (14)	0.0286 (11)	−0.0016 (9)	0.0077 (8)	−0.0023 (9)
N21	0.0221 (10)	0.0276 (15)	0.0292 (11)	−0.0014 (9)	0.0067 (8)	−0.0001 (9)
N27	0.0196 (10)	0.0305 (16)	0.0362 (12)	−0.0046 (9)	0.0027 (9)	0.0032 (10)
N29	0.0212 (10)	0.0255 (15)	0.0309 (11)	0.0012 (9)	0.0066 (9)	−0.0011 (9)
C12	0.0308 (14)	0.047 (2)	0.0304 (14)	−0.0005 (13)	0.0048 (11)	−0.0027 (13)
C13	0.0497 (17)	0.065 (3)	0.0288 (15)	−0.0016 (16)	0.0109 (13)	0.0004 (14)
C14	0.0548 (18)	0.058 (2)	0.0374 (16)	−0.0080 (16)	0.0255 (14)	0.0009 (15)
C15	0.0331 (14)	0.044 (2)	0.0448 (17)	−0.0084 (13)	0.0192 (12)	−0.0034 (14)
C16	0.0264 (13)	0.0239 (17)	0.0367 (14)	0.0003 (11)	0.0105 (11)	−0.0014 (11)
C18	0.0238 (12)	0.0241 (17)	0.0318 (13)	−0.0012 (11)	0.0051 (10)	0.0020 (11)
C22	0.0272 (13)	0.0292 (19)	0.0374 (14)	−0.0049 (12)	0.0101 (11)	0.0010 (12)
C23	0.0407 (16)	0.0305 (18)	0.0394 (15)	0.0032 (12)	0.0151 (12)	0.0037 (12)
C24	0.0307 (14)	0.038 (2)	0.0410 (15)	0.0100 (12)	0.0066 (12)	0.0093 (13)
C25	0.0229 (13)	0.040 (2)	0.0444 (16)	0.0006 (12)	0.0032 (11)	0.0031 (13)
C26	0.0237 (12)	0.0258 (17)	0.0279 (13)	−0.0012 (10)	0.0073 (10)	−0.0027 (11)
C28	0.0211 (12)	0.0284 (18)	0.0303 (13)	−0.0006 (11)	0.0087 (10)	−0.0023 (11)
C110	0.0336 (14)	0.0332 (19)	0.0375 (15)	0.0004 (12)	0.0152 (11)	−0.0026 (12)
C111	0.0507 (17)	0.037 (2)	0.0344 (15)	−0.0013 (14)	0.0130 (13)	−0.0035 (13)
C112	0.0496 (18)	0.046 (2)	0.0364 (16)	−0.0112 (15)	0.0008 (13)	−0.0112 (14)
C113	0.0315 (14)	0.045 (2)	0.0413 (16)	−0.0094 (13)	0.0043 (12)	−0.0042 (14)
C210	0.0259 (13)	0.038 (2)	0.0326 (14)	0.0016 (12)	0.0014 (11)	−0.0021 (12)
C211	0.0472 (17)	0.043 (2)	0.0305 (14)	0.0032 (14)	0.0067 (12)	0.0060 (13)
C212	0.0491 (17)	0.038 (2)	0.0411 (16)	−0.0024 (14)	0.0188 (13)	0.0104 (14)
C213	0.0302 (14)	0.0324 (19)	0.0426 (15)	−0.0052 (12)	0.0138 (12)	−0.0004 (13)
O4	0.0512 (14)	0.106 (3)	0.0602 (15)	−0.0266 (14)	−0.0127 (12)	0.0321 (15)
O5	0.0806 (18)	0.131 (3)	0.0775 (18)	0.0419 (18)	0.0468 (16)	0.0180 (18)
O6	0.0589 (15)	0.101 (2)	0.0700 (16)	0.0344 (15)	0.0055 (13)	−0.0195 (15)
N1	0.0273 (12)	0.0479 (19)	0.0486 (15)	−0.0107 (12)	0.0046 (11)	0.0006 (13)

Geometric parameters (Å, º) top

Co1—O2	1.9067 (18)	C15—C16	1.400 (4)
Co1—O1	1.9083 (18)	C15—H15	0.9300
Co1—N11	1.935 (2)	C18—C113	1.393 (4)
Co1—N21	1.935 (2)	C22—C23	1.363 (4)
Co1—N29	1.936 (2)	C22—H22	0.9300
Co1—N19	1.947 (2)	C23—C24	1.393 (4)
Co1—C1	2.343 (3)	C23—H23	0.9300
O1—C1	1.325 (3)	C24—C25	1.356 (4)
O2—C1	1.329 (3)	C24—H24	0.9300
O3—C1	1.212 (3)	C25—C26	1.397 (4)
N11—C16	1.340 (3)	C25—H25	0.9300
N11—C12	1.362 (3)	C28—C213	1.394 (4)
N17—C18	1.375 (3)	C110—C111	1.365 (4)
N17—C16	1.381 (3)	C110—H110	0.9300
N17—H17	0.8447	C111—C112	1.388 (4)
N19—C18	1.350 (3)	C111—H111	0.9300
N19—C110	1.364 (3)	C112—C113	1.365 (4)
N21—C26	1.346 (3)	C112—H112	0.9300
N21—C22	1.355 (4)	C113—H113	0.9300
N27—C26	1.374 (3)	C210—C211	1.359 (4)
N27—C28	1.381 (3)	C210—H210	0.9300
N27—H27	0.9632	C211—C212	1.387 (4)
N29—C28	1.342 (3)	C211—H211	0.9300
N29—C210	1.368 (3)	C212—C213	1.366 (4)
C12—C13	1.357 (4)	C212—H212	0.9300
C12—H12	0.9300	C213—H213	0.9300
C13—C14	1.390 (4)	O4—N1	1.247 (3)
C13—H13	0.9300	O5—N1	1.215 (3)
C14—C15	1.364 (4)	O6—N1	1.214 (3)
C14—H14	0.9300

O2—Co1—O1	68.99 (8)	C13—C14—H14	120.1
O2—Co1—N11	88.49 (8)	C14—C15—C16	118.8 (2)
O1—Co1—N11	88.37 (8)	C14—C15—H15	120.6
O2—Co1—N21	168.88 (8)	C16—C15—H15	120.6
O1—Co1—N21	99.89 (8)	N11—C16—N17	119.5 (2)
N11—Co1—N21	91.64 (9)	N11—C16—C15	121.6 (2)
O2—Co1—N29	90.39 (8)	N17—C16—C15	118.9 (2)
O1—Co1—N29	86.35 (8)	N19—C18—N17	120.2 (2)
N11—Co1—N29	174.65 (9)	N19—C18—C113	121.5 (2)
N21—Co1—N29	88.44 (9)	N17—C18—C113	118.4 (2)
O2—Co1—N19	96.48 (8)	N21—C22—C23	122.6 (2)
O1—Co1—N19	165.44 (8)	N21—C22—H22	118.7
N11—Co1—N19	90.35 (9)	C23—C22—H22	118.7
N21—Co1—N19	94.64 (9)	C22—C23—C24	118.6 (3)
N29—Co1—N19	94.97 (9)	C22—C23—H23	120.7
O2—Co1—C1	34.55 (8)	C24—C23—H23	120.7
O1—Co1—C1	34.45 (8)	C25—C24—C23	119.3 (3)
N11—Co1—C1	87.67 (9)	C25—C24—H24	120.4
N21—Co1—C1	134.34 (9)	C23—C24—H24	120.4
N29—Co1—C1	88.45 (9)	C24—C25—C26	119.8 (3)
N19—Co1—C1	131.01 (9)	C24—C25—H25	120.1
C1—O1—Co1	91.03 (15)	C26—C25—H25	120.1
C1—O2—Co1	91.00 (15)	N21—C26—N27	119.2 (2)
O3—C1—O1	125.8 (3)	N21—C26—C25	120.7 (3)
O3—C1—O2	125.2 (3)	N27—C26—C25	120.1 (2)
O1—C1—O2	109.0 (2)	N29—C28—N27	119.6 (2)
O3—C1—Co1	178.6 (2)	N29—C28—C213	121.7 (2)
O1—C1—Co1	54.52 (13)	N27—C28—C213	118.7 (2)
O2—C1—Co1	54.46 (13)	C111—C110—N19	122.7 (2)
C16—N11—C12	118.1 (2)	C111—C110—H110	118.6
C16—N11—Co1	121.55 (17)	N19—C110—H110	118.6
C12—N11—Co1	119.59 (17)	C110—C111—C112	118.7 (3)
C18—N17—C16	127.72 (19)	C110—C111—H111	120.6
C18—N17—H17	111.6	C112—C111—H111	120.6
C16—N17—H17	117.4	C113—C112—C111	119.5 (3)
C18—N19—C110	117.9 (2)	C113—C112—H112	120.2
C18—N19—Co1	120.23 (17)	C111—C112—H112	120.2
C110—N19—Co1	120.91 (17)	C112—C113—C18	119.5 (2)
C26—N21—C22	118.5 (2)	C112—C113—H113	120.2
C26—N21—Co1	119.95 (18)	C18—C113—H113	120.2
C22—N21—Co1	121.02 (16)	C211—C210—N29	122.6 (2)
C26—N27—C28	125.4 (2)	C211—C210—H210	118.7
C26—N27—H27	114.4	N29—C210—H210	118.7
C28—N27—H27	114.6	C210—C211—C212	118.7 (3)
C28—N29—C210	117.8 (2)	C210—C211—H211	120.6
C28—N29—Co1	119.33 (16)	C212—C211—H211	120.6
C210—N29—Co1	121.81 (16)	C213—C212—C211	119.6 (3)
C13—C12—N11	122.9 (3)	C213—C212—H212	120.2
C13—C12—H12	118.6	C211—C212—H212	120.2
N11—C12—H12	118.6	C212—C213—C28	119.0 (2)
C12—C13—C14	118.5 (3)	C212—C213—H213	120.5
C12—C13—H13	120.8	C28—C213—H213	120.5
C14—C13—H13	120.8	O6—N1—O5	119.6 (3)
C15—C14—C13	119.9 (3)	O6—N1—O4	120.7 (3)
C15—C14—H14	120.1	O5—N1—O4	119.7 (3)

Experimental details

Crystal data
Chemical formula	[Co(CO₃)(C₁₀H₉N₃)₂]NO₃
M_r	523.35
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	293
a, b, c (Å)	17.191 (3), 7.308 (1), 17.843 (5)
β (°)	104.94 (3)
V (Å³)	2165.9 (8)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	0.85
Crystal size (mm)	0.42 × 0.20 × 0.08

Data collection
Diffractometer	Stoe IPDS diffractometer
Absorption correction	Numerical (Stoe & Cie, 1998)
T_min, T_max	0.815, 0.934
No. of measured, independent and observed [I > 2σ(I)] reflections	14084, 4037, 2598
R_int	0.048
(sin θ/λ)_max (Å⁻¹)	0.613

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.031, 0.076, 0.82
No. of reflections	4037
No. of parameters	316
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	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

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

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