Cocrystallization of dichloro­(N,N-dimethyl­formamide)[hydro­tris(pyrazol-1-yl)borato]­vanadium(III) with its partially oxidized analog chloro­(N,N-dimethyl­formamide)[hydro­tris(pyrazol-1-yl)borato]oxovanadium(IV)

McLauchlan, C.C.; McDonald, K.J.

doi:10.1107/S1600536806005423

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Cocrystallization of dichloro(N,N-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]vanadium(III) with its partially oxidized analog chloro(N,N-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]oxovanadium(IV)

C. C. McLauchlan and K. J. McDonald

The components dichloro(N,N-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]vanadium(III), [TpVCl₂(DMF)], and its partially oxidized analog chloro(N,N-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]oxovanadium(IV), [TpVOCl(DMF)], cocrystallize in an approximately 1:1 ratio, viz. [V(C₉H₁₀BN₆)Cl₂(C₃H₆NO)][V(C₉H₁₀BN₆)ClO(C₃H₆NO)]. The components both exist in the solid state with disorder of the Cl/O site and with V in a pseudo-octahedral coordination geometry. The complexes each have three pyrazole units of the hydrotris(pyrazol-1-yl)borate ligand bound to one `face' of the vanadium center and one chloro, one oxo/chloro, and one oxo-bound N,N-dimethylformamide ligand bound to the other face.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806005423/om6287sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806005423/om6287Isup2.hkl Contains datablock I

CCDC reference: 601228

checkCIF report

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.006 Å
Disorder in main residue
R factor = 0.049
wR factor = 0.134
Data-to-parameter ratio = 17.4

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       2.00 Ratio
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT301_ALERT_3_C Main Residue  Disorder .........................       4.00 Perc.
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         84
            C4  -N2  -V1  -CL1  -101.30  0.80   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         85
            N5  -N2  -V1  -CL1    67.40  0.90   1.555   1.555   1.555   1.555
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          6

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           27.48
           From the CIF: _reflns_number_total               3987
           Count of symmetry unique reflns         2286
           Completeness (_total/calc)            174.41%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1701
           Fraction of Friedel pairs measured     0.744
           Are heavy atom types Z>Si present        yes

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

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

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2005); cell refinement: CrysAlis RED (Oxford Diffraction, 2005); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 1995); software used to prepare material for publication: SHELXL97.

dichloro(N,N-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]vanadium(III) chloro(N,N-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]oxovanadium(IV) top

Crystal data top

[V(C₉H₁₀BN₆)Cl₂(C₃H₆NO)][V(C₉H₁₀BN₆)ClO(C₃H₆NO)]	D_x = 1.517 Mg m⁻³
M_r = 797.66	Melting point: 456(1) K
Orthorhombic, P2₁2₁2₁	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2ab	Cell parameters from 5892 reflections
a = 8.6005 (5) Å	θ = 4.1–27.5°
b = 13.7002 (10) Å	µ = 0.82 mm⁻¹
c = 14.8204 (13) Å	T = 100 K
V = 1746.3 (2) Å³	Prism, light green
Z = 2	0.19 × 0.12 × 0.06 mm
F(000) = 815

Data collection top

Oxford Diffraction Xcalibur3 diffractometer equipped with a CCD detector	3987 independent reflections
Radiation source: Enhance (Mo) X-ray Source	3370 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.043
Detector resolution: 15.9890 pixels mm^-1	θ_max = 27.5°, θ_min = 4.4°
φ and ω scans	h = −11→11
Absorption correction: numerical (Clark & Reid, 1995)	k = −16→17
T_min = 0.812, T_max = 0.901	l = −19→19
15979 measured reflections

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)] = 0.050	H-atom parameters constrained
wR(F²) = 0.134	w = 1/[σ²(F_o²) + (0.0723P)² + 0.5753P] where P = (F_o² + 2F_c²)/3
S = 1.10	(Δ/σ)_max = 0.001
3987 reflections	Δρ_max = 0.29 e Å⁻³
229 parameters	Δρ_min = −0.58 e Å⁻³
0 restraints	Absolute structure: 1714 Friedel pairs (Flack, 1983)
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.07 (3)

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 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. The structure can be modeled with the appropriate molecular formula TpVCl₂(DMF), but both Cl atoms were modeled for disorder with an O atom, using PARTs and a separate FVAR (e.g. 21/-21). Each Cl/O disorder was given its own FVAR and allowed to refine. The occupancies of one Cl/O pair refined to 92/8 and, as such, were modeled as 100% Cl in future refinements. The remaining Cl/O pair occupancies were allowed to continue to freely vary and settled at the 53/47 ratio reported in the comment. We had considered fixing the value at 0.5/0.5, but we had no chemical justification for doing so. We have collected data on more than one of these ?green? crystals and note some variability to the O percentage, but it does seem to be a co-crystallization.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
C1	0.0733 (4)	0.3920 (3)	−0.1179 (3)	0.0440 (9)
H1	0.1358	0.4299	−0.1575	0.053*
C1S	0.4331 (4)	0.5640 (3)	−0.0296 (2)	0.0335 (7)
H1S	0.4261	0.6296	−0.0095	0.040*
C2	−0.0025 (4)	0.3072 (3)	−0.1422 (3)	0.0449 (9)
H2	−0.0022	0.2765	−0.1996	0.054*
C2S	0.6679 (4)	0.6115 (3)	−0.1073 (3)	0.0482 (10)
H2S1	0.6447	0.6743	−0.0788	0.072*
H2S2	0.6692	0.6194	−0.1730	0.072*
H2S3	0.7699	0.5883	−0.0868	0.072*
C3	−0.0789 (4)	0.2764 (3)	−0.0652 (3)	0.0414 (8)
H3	−0.1421	0.2198	−0.0599	0.050*
C3S	0.5612 (5)	0.4430 (3)	−0.1198 (3)	0.0576 (11)
H3S1	0.4688	0.4049	−0.1039	0.086*
H3S2	0.6541	0.4109	−0.0955	0.086*
H3S3	0.5697	0.4474	−0.1856	0.086*
C4	0.2606 (4)	0.4071 (3)	0.2140 (2)	0.0379 (8)
H4	0.3478	0.4486	0.2228	0.045*
C5	0.2237 (4)	0.3273 (3)	0.2688 (3)	0.0425 (8)
H5	0.2785	0.3044	0.3203	0.051*
C6	0.0903 (4)	0.2892 (3)	0.2313 (3)	0.0403 (8)
H6	0.0355	0.2336	0.2527	0.048*
C7	−0.2107 (4)	0.5978 (3)	0.1185 (2)	0.0366 (7)
H7	−0.1907	0.6656	0.1118	0.044*
C8	−0.3498 (4)	0.5595 (3)	0.1484 (2)	0.0408 (8)
H8	−0.4407	0.5941	0.1660	0.049*
C9	−0.3274 (4)	0.4592 (3)	0.1471 (2)	0.0382 (8)
H9	−0.4016	0.4113	0.1641	0.046*
B1	−0.0976 (4)	0.3435 (3)	0.1004 (3)	0.0367 (9)
H1B	−0.1664	0.2869	0.1155	0.044*
Cl1	0.0599 (2)	0.65803 (16)	−0.04142 (14)	0.0351 (4)	0.53
O1A	0.0664 (8)	0.6100 (6)	−0.0391 (5)	0.0467 (17)	0.47
Cl2	0.21846 (11)	0.63759 (7)	0.15529 (8)	0.0552 (3)
N1	0.0471 (3)	0.4138 (2)	−0.0314 (2)	0.0350 (6)
N1S	0.5482 (3)	0.5400 (2)	−0.08221 (19)	0.0366 (6)
N2	0.1565 (3)	0.41708 (19)	0.1475 (2)	0.0332 (6)
N3	−0.1088 (3)	0.5285 (2)	0.10031 (19)	0.0333 (6)
N4	−0.0477 (3)	0.3410 (2)	0.0011 (2)	0.0351 (6)
N5	0.0504 (3)	0.3438 (2)	0.1596 (2)	0.0346 (6)
N6	−0.1811 (3)	0.4416 (2)	0.1174 (2)	0.0352 (6)
O1S	0.3310 (3)	0.50463 (18)	−0.00430 (17)	0.0401 (6)
V1	0.11994 (6)	0.53328 (5)	0.04922 (6)	0.0467 (2)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.0365 (18)	0.053 (2)	0.0419 (19)	0.0069 (17)	−0.0034 (16)	0.0064 (17)
C1S	0.0243 (14)	0.0401 (18)	0.0363 (16)	−0.0032 (13)	−0.0030 (13)	0.0044 (14)
C2	0.0380 (18)	0.054 (2)	0.043 (2)	0.0113 (17)	−0.0111 (16)	−0.0032 (18)
C2S	0.0382 (19)	0.062 (3)	0.044 (2)	−0.0153 (18)	0.0022 (17)	0.0134 (18)
C3	0.0310 (16)	0.0381 (18)	0.055 (2)	0.0016 (14)	−0.0083 (16)	−0.0080 (16)
C3S	0.049 (2)	0.050 (2)	0.074 (3)	0.0025 (19)	0.019 (2)	−0.004 (2)
C4	0.0272 (16)	0.0363 (17)	0.050 (2)	−0.0008 (14)	0.0030 (15)	−0.0048 (15)
C5	0.0363 (17)	0.042 (2)	0.049 (2)	0.0068 (16)	0.0046 (16)	0.0074 (16)
C6	0.0372 (19)	0.0360 (18)	0.048 (2)	−0.0007 (15)	0.0105 (16)	0.0070 (15)
C7	0.0325 (16)	0.0378 (17)	0.0396 (18)	0.0046 (15)	−0.0015 (15)	−0.0071 (14)
C8	0.0297 (16)	0.052 (2)	0.0411 (18)	0.0055 (15)	0.0006 (14)	−0.0086 (16)
C9	0.0233 (14)	0.0465 (19)	0.0449 (18)	−0.0027 (15)	0.0035 (14)	−0.0045 (16)
B1	0.0268 (18)	0.0300 (18)	0.053 (2)	−0.0032 (16)	0.0044 (16)	0.0013 (16)
Cl1	0.0289 (7)	0.0347 (10)	0.0417 (9)	−0.0017 (8)	0.0033 (7)	0.0064 (10)
O1A	0.044 (3)	0.035 (3)	0.061 (4)	−0.001 (4)	0.007 (3)	0.012 (4)
Cl2	0.0402 (5)	0.0381 (5)	0.0874 (8)	0.0018 (4)	0.0067 (5)	−0.0105 (5)
N1	0.0259 (13)	0.0339 (14)	0.0453 (16)	−0.0051 (12)	0.0042 (12)	0.0039 (12)
N1S	0.0254 (12)	0.0466 (17)	0.0378 (14)	−0.0031 (13)	−0.0007 (11)	0.0042 (13)
N2	0.0227 (12)	0.0270 (13)	0.0500 (16)	−0.0007 (10)	0.0050 (12)	−0.0002 (12)
N3	0.0224 (12)	0.0313 (13)	0.0462 (15)	−0.0026 (13)	0.0024 (11)	−0.0007 (12)
N4	0.0253 (13)	0.0304 (14)	0.0497 (16)	−0.0009 (11)	−0.0002 (12)	0.0002 (13)
N5	0.0253 (12)	0.0311 (14)	0.0475 (16)	−0.0033 (11)	0.0026 (12)	0.0016 (13)
N6	0.0214 (12)	0.0364 (15)	0.0477 (16)	−0.0043 (12)	0.0034 (12)	−0.0025 (12)
O1S	0.0249 (11)	0.0392 (13)	0.0564 (15)	−0.0004 (10)	0.0032 (11)	0.0085 (11)
V1	0.0225 (3)	0.0317 (3)	0.0860 (5)	−0.0003 (2)	0.0117 (3)	0.0049 (3)

Geometric parameters (Å, º) top

C1—N1	1.334 (5)	C6—N5	1.344 (5)
C1—C2	1.380 (6)	C6—H6	0.9500
C1—H1	0.9500	C7—N3	1.319 (4)
C1S—O1S	1.254 (4)	C7—C8	1.380 (5)
C1S—N1S	1.302 (4)	C7—H7	0.9500
C1S—H1S	0.9500	C8—C9	1.387 (6)
C2—C3	1.383 (6)	C8—H8	0.9500
C2—H2	0.9500	C9—N6	1.355 (4)
C2S—N1S	1.469 (4)	C9—H9	0.9500
C2S—H2S1	0.9800	B1—N4	1.534 (5)
C2S—H2S2	0.9800	B1—N6	1.545 (5)
C2S—H2S3	0.9800	B1—N5	1.546 (5)
C3—N4	1.349 (5)	B1—H1B	1.0000
C3—H3	0.9500	Cl1—V1	2.234 (2)
C3S—N1S	1.446 (5)	O1A—V1	1.741 (8)
C3S—H3S1	0.9800	Cl2—V1	2.2872 (13)
C3S—H3S2	0.9800	N1—N4	1.375 (4)
C3S—H3S3	0.9800	N1—V1	2.121 (3)
C4—N2	1.339 (5)	N2—N5	1.369 (4)
C4—C5	1.398 (5)	N2—V1	2.181 (3)
C4—H4	0.9500	N3—N6	1.366 (4)
C5—C6	1.377 (5)	N3—V1	2.109 (3)
C5—H5	0.9500	O1S—V1	2.019 (2)

N1—C1—C2	111.1 (4)	N6—B1—H1B	111.3
N1—C1—H1	124.5	N5—B1—H1B	111.3
C2—C1—H1	124.5	C1—N1—N4	105.9 (3)
O1S—C1S—N1S	123.3 (3)	C1—N1—V1	131.6 (3)
O1S—C1S—H1S	118.4	N4—N1—V1	122.5 (2)
N1S—C1S—H1S	118.4	C1S—N1S—C3S	121.4 (3)
C1—C2—C3	105.4 (3)	C1S—N1S—C2S	121.1 (3)
C1—C2—H2	127.3	C3S—N1S—C2S	117.4 (3)
C3—C2—H2	127.3	C4—N2—N5	105.9 (3)
N1S—C2S—H2S1	109.5	C4—N2—V1	131.6 (2)
N1S—C2S—H2S2	109.5	N5—N2—V1	121.8 (2)
H2S1—C2S—H2S2	109.5	C7—N3—N6	106.7 (3)
N1S—C2S—H2S3	109.5	C7—N3—V1	132.1 (2)
H2S1—C2S—H2S3	109.5	N6—N3—V1	121.19 (19)
H2S2—C2S—H2S3	109.5	C3—N4—N1	109.8 (3)
N4—C3—C2	107.8 (3)	C3—N4—B1	131.1 (3)
N4—C3—H3	126.1	N1—N4—B1	119.1 (3)
C2—C3—H3	126.1	C6—N5—N2	110.0 (3)
N1S—C3S—H3S1	109.5	C6—N5—B1	131.1 (3)
N1S—C3S—H3S2	109.5	N2—N5—B1	118.5 (3)
H3S1—C3S—H3S2	109.5	C9—N6—N3	109.1 (3)
N1S—C3S—H3S3	109.5	C9—N6—B1	129.7 (3)
H3S1—C3S—H3S3	109.5	N3—N6—B1	121.1 (2)
H3S2—C3S—H3S3	109.5	C1S—O1S—V1	128.4 (2)
N2—C4—C5	110.8 (3)	O1A—V1—O1S	93.4 (3)
N2—C4—H4	124.6	O1A—V1—N3	92.4 (3)
C5—C4—H4	124.6	O1S—V1—N3	166.77 (11)
C6—C5—C4	104.6 (3)	O1A—V1—N1	88.0 (3)
C6—C5—H5	127.7	O1S—V1—N1	83.92 (10)
C4—C5—H5	127.7	N3—V1—N1	84.43 (11)
N5—C6—C5	108.7 (3)	O1A—V1—N2	168.9 (3)
N5—C6—H6	125.7	O1S—V1—N2	89.47 (10)
C5—C6—H6	125.7	N3—V1—N2	82.65 (10)
N3—C7—C8	111.6 (3)	N1—V1—N2	81.71 (11)
N3—C7—H7	124.2	O1A—V1—Cl1	12.8 (3)
C8—C7—H7	124.2	O1S—V1—Cl1	96.90 (9)
C7—C8—C9	104.6 (3)	N3—V1—Cl1	91.38 (9)
C7—C8—H8	127.7	N1—V1—Cl1	100.56 (10)
C9—C8—H8	127.7	N2—V1—Cl1	173.41 (9)
N6—C9—C8	108.0 (3)	O1A—V1—Cl2	103.7 (3)
N6—C9—H9	126.0	O1S—V1—Cl2	93.35 (8)
C8—C9—H9	126.0	N3—V1—Cl2	96.79 (8)
N4—B1—N6	107.8 (3)	N1—V1—Cl2	168.16 (9)
N4—B1—N5	108.3 (3)	N2—V1—Cl2	86.76 (8)
N6—B1—N5	106.7 (3)	Cl1—V1—Cl2	91.20 (7)
N4—B1—H1B	111.3

N1—C1—C2—C3	0.0 (4)	N1S—C1S—O1S—V1	−163.1 (2)
C1—C2—C3—N4	−0.2 (4)	C1S—O1S—V1—O1A	53.2 (4)
N2—C4—C5—C6	0.0 (4)	C1S—O1S—V1—N3	169.2 (4)
C4—C5—C6—N5	−0.6 (4)	C1S—O1S—V1—N1	140.8 (3)
N3—C7—C8—C9	−0.3 (4)	C1S—O1S—V1—N2	−137.5 (3)
C7—C8—C9—N6	−0.1 (4)	C1S—O1S—V1—Cl1	40.8 (3)
C2—C1—N1—N4	0.2 (4)	C1S—O1S—V1—Cl2	−50.8 (3)
C2—C1—N1—V1	−178.1 (2)	C7—N3—V1—O1A	−49.2 (4)
O1S—C1S—N1S—C3S	3.7 (5)	N6—N3—V1—O1A	127.8 (4)
O1S—C1S—N1S—C2S	−177.8 (3)	C7—N3—V1—O1S	−165.3 (4)
C5—C4—N2—N5	0.5 (4)	N6—N3—V1—O1S	11.7 (7)
C5—C4—N2—V1	170.5 (2)	C7—N3—V1—N1	−136.9 (3)
C8—C7—N3—N6	0.6 (4)	N6—N3—V1—N1	40.1 (3)
C8—C7—N3—V1	177.9 (2)	C7—N3—V1—N2	140.8 (3)
C2—C3—N4—N1	0.3 (4)	N6—N3—V1—N2	−42.3 (2)
C2—C3—N4—B1	−178.7 (3)	C7—N3—V1—Cl1	−36.4 (3)
C1—N1—N4—C3	−0.3 (4)	N6—N3—V1—Cl1	140.5 (2)
V1—N1—N4—C3	178.2 (2)	C7—N3—V1—Cl2	55.0 (3)
C1—N1—N4—B1	178.9 (3)	N6—N3—V1—Cl2	−128.1 (2)
V1—N1—N4—B1	−2.6 (4)	C1—N1—V1—O1A	46.1 (4)
N6—B1—N4—C3	−123.5 (4)	N4—N1—V1—O1A	−132.0 (3)
N5—B1—N4—C3	121.4 (4)	C1—N1—V1—O1S	−47.6 (3)
N6—B1—N4—N1	57.5 (4)	N4—N1—V1—O1S	134.4 (2)
N5—B1—N4—N1	−57.6 (4)	C1—N1—V1—N3	138.7 (3)
C5—C6—N5—N2	0.9 (4)	N4—N1—V1—N3	−39.3 (2)
C5—C6—N5—B1	−171.0 (3)	C1—N1—V1—N2	−137.9 (3)
C4—N2—N5—C6	−0.9 (4)	N4—N1—V1—N2	44.0 (2)
V1—N2—N5—C6	−172.1 (2)	C1—N1—V1—Cl1	48.3 (3)
C4—N2—N5—B1	172.2 (3)	N4—N1—V1—Cl1	−129.7 (2)
V1—N2—N5—B1	1.0 (4)	C1—N1—V1—Cl2	−124.8 (4)
N4—B1—N5—C6	−131.0 (4)	N4—N1—V1—Cl2	57.2 (5)
N6—B1—N5—C6	113.2 (4)	C4—N2—V1—O1A	169.6 (13)
N4—B1—N5—N2	57.7 (4)	N5—N2—V1—O1A	−21.7 (14)
N6—B1—N5—N2	−58.1 (4)	C4—N2—V1—O1S	64.2 (3)
C8—C9—N6—N3	0.5 (4)	N5—N2—V1—O1S	−127.1 (2)
C8—C9—N6—B1	−178.0 (3)	C4—N2—V1—N3	−126.5 (3)
C7—N3—N6—C9	−0.7 (4)	N5—N2—V1—N3	42.2 (2)
V1—N3—N6—C9	−178.3 (2)	C4—N2—V1—N1	148.1 (3)
C7—N3—N6—B1	177.9 (3)	N5—N2—V1—N1	−43.2 (2)
V1—N3—N6—B1	0.3 (4)	C4—N2—V1—Cl1	−101.3 (8)
N4—B1—N6—C9	121.3 (4)	N5—N2—V1—Cl1	67.4 (9)
N5—B1—N6—C9	−122.5 (4)	C4—N2—V1—Cl2	−29.2 (3)
N4—B1—N6—N3	−57.0 (4)	N5—N2—V1—Cl2	139.5 (2)
N5—B1—N6—N3	59.2 (4)

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