Di-μ-tricyanido-tetra-cyanidobis[hydro-tris-(pyrazoylborato)]tetra-methanol-diiron(III)iron(II) di-methanol disolvate.

In the title complex, [Fe(II)Fe(III) 2(C9H10BN6)2(CN)6(CH3OH)4]·2CH3OH, two [Fe(III)(Tp)(CN)3](-) anions [Tp is hydro-tris-(pyrazoylborate)] are bridged by an [Fe(II)(MeOH)4](2+) cation, forming a centrosymmetric trinuclear unit. These units are connected via O-H⋯O and O-H⋯N hydrogen bonds involving the uncoordinated methanol solvent mol-ecules, forming a three-dimensional network.

Related literature

For the synthesis of bis­{tri­cyano­[hydro­tris­(pyrazoylborate)]ferrate(III)}, see Lescouëzec et al. (2002 ▶). For a related structure, see Kim et al. (2004 ▶).

Experimental

Crystal data

[Fe3(C9H10BN6)2(CN)6(CH4O)4]·2CH4O

M = 942.00

Monoclinic,

a = 9.261 (4) Å

b = 16.405 (7) Å

c = 14.331 (6) Å

β = 94.671 (2)°

V = 2169.9 (16) Å3

Z = 2

Mo Kα radiation

μ = 1.05 mm−1

T = 123 K

0.30 × 0.20 × 0.10 mm

Data collection

Rigaku Saturn70 diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2000 ▶) T min = 0.743, T max = 0.902

16575 measured reflections

4922 independent reflections

4557 reflections with I > 2σ(I)

R int = 0.097

Refinement

R[F 2 > 2σ(F 2)] = 0.064

wR(F 2) = 0.167

S = 1.13

4922 reflections

269 parameters

H-atom parameters constrained

Δρmax = 0.95 e Å−3

Δρmin = −0.82 e Å−3

Data collection: CrystalClear (Rigaku, 2008 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: XP in SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Crystal structure: contains datablock(s) I. DOI: 10.1107/S1600536814001019/pk2510sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814001019/pk2510Isup2.hkl

CCDC reference:

Additional supporting information: crystallographic information; 3D view; checkCIF report

[Fe3(C9H10BN6)2(CN)6(CH4O)4]·2CH4O	F(000) = 972
Mr = 942.00	Dx = 1.442 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.7107 Å
Hall symbol: -P 2ybc	Cell parameters from 4554 reflections
a = 9.261 (4) Å	θ = 3.1–27.5°
b = 16.405 (7) Å	µ = 1.05 mm−1
c = 14.331 (6) Å	T = 123 K
β = 94.671 (2)°	Block, red
V = 2169.9 (16) Å3	0.30 × 0.20 × 0.10 mm
Z = 2

Rigaku Saturn70 diffractometer	4922 independent reflections
Radiation source: fine-focus sealed tube	4557 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.097
Detector resolution: 7.314 pixels mm-1	θmax = 27.5°, θmin = 3.1°
ω scans	h = −12→11
Absorption correction: multi-scan (SADABS; Bruker, 2000)	k = −21→21
Tmin = 0.743, Tmax = 0.902	l = −18→16
16575 measured reflections

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.064	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.167	H-atom parameters constrained
S = 1.13	w = 1/[σ2(Fo2) + (0.0721P)2 + 4.4189P] where P = (Fo2 + 2Fc2)/3
4922 reflections	(Δ/σ)max = 0.001
269 parameters	Δρmax = 0.95 e Å−3
0 restraints	Δρmin = −0.82 e Å−3

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.

	x	y	z	Uiso*/Ueq
Fe1	0.16211 (4)	0.53724 (3)	0.76431 (3)	0.01108 (15)
Fe2	0.5000	0.5000	0.5000	0.01447 (18)
O1	0.6195 (3)	0.61004 (16)	0.52139 (18)	0.0259 (6)
H1O	0.5856	0.6453	0.5654	0.031*
O2	0.3481 (3)	0.57099 (18)	0.41549 (19)	0.0295 (6)
H2O	0.2586	0.5732	0.4119	0.035*
O3	0.5843 (4)	0.71803 (18)	0.6547 (2)	0.0424 (8)
H3O	0.6238	0.7647	0.6527	0.051*
N1	0.1053 (3)	0.64652 (16)	0.71911 (18)	0.0132 (5)
N2	0.0729 (3)	0.70462 (16)	0.78192 (18)	0.0139 (5)
N3	0.0040 (3)	0.54145 (16)	0.84969 (18)	0.0136 (5)
N4	−0.0165 (3)	0.61102 (16)	0.89905 (18)	0.0146 (5)
N5	0.2907 (3)	0.58953 (16)	0.86392 (18)	0.0133 (5)
N6	0.2409 (3)	0.65368 (16)	0.91250 (18)	0.0151 (5)
N7	−0.0531 (3)	0.45434 (18)	0.6197 (2)	0.0223 (6)
N8	0.3854 (3)	0.52601 (18)	0.6178 (2)	0.0192 (6)
N9	0.2724 (3)	0.36947 (17)	0.8348 (2)	0.0210 (6)
C1	0.0913 (4)	0.6807 (2)	0.6342 (2)	0.0180 (6)
H1	0.1081	0.6539	0.5774	0.022*
C2	0.0484 (4)	0.7615 (2)	0.6417 (2)	0.0218 (7)
H2	0.0302	0.7998	0.5924	0.026*
C3	0.0379 (4)	0.77434 (19)	0.7362 (2)	0.0191 (7)
H3	0.0107	0.8239	0.7642	0.023*
C4	−0.0966 (4)	0.4884 (2)	0.8710 (2)	0.0169 (6)
H4	−0.1068	0.4348	0.8462	0.020*
C5	−0.1852 (4)	0.5225 (2)	0.9348 (2)	0.0199 (7)
H5	−0.2653	0.4978	0.9612	0.024*
C6	−0.1310 (3)	0.5999 (2)	0.9513 (2)	0.0180 (6)
H6	−0.1676	0.6390	0.9922	0.022*
C7	0.4266 (3)	0.5739 (2)	0.9010 (2)	0.0179 (6)
H7	0.4877	0.5322	0.8805	0.021*
C8	0.4640 (4)	0.6281 (2)	0.9736 (2)	0.0225 (7)
H8	0.5528	0.6307	1.0116	0.027*
C9	0.3438 (4)	0.6775 (2)	0.9786 (2)	0.0197 (7)
H9	0.3353	0.7210	1.0216	0.024*
C10	0.2287 (3)	0.4314 (2)	0.8080 (2)	0.0150 (6)
C11	0.3056 (3)	0.53102 (18)	0.6750 (2)	0.0138 (6)
C12	0.0301 (3)	0.48514 (19)	0.6716 (2)	0.0149 (6)
C13	0.7555 (5)	0.6320 (3)	0.4880 (4)	0.0401 (11)
H13A	0.7890	0.6835	0.5168	0.048*
H13B	0.7438	0.6384	0.4198	0.048*
H13C	0.8267	0.5891	0.5043	0.048*
C14	0.3792 (5)	0.6167 (3)	0.3344 (3)	0.0386 (10)
H14A	0.3525	0.5845	0.2780	0.046*
H14B	0.4830	0.6293	0.3376	0.046*
H14C	0.3235	0.6676	0.3321	0.046*
C15	0.6291 (13)	0.6822 (4)	0.7417 (4)	0.123 (5)
H15A	0.7292	0.6981	0.7604	0.148*
H15B	0.6232	0.6227	0.7362	0.148*
H15C	0.5658	0.7007	0.7891	0.148*
B1	0.0838 (4)	0.6841 (2)	0.8869 (2)	0.0150 (7)
H10	0.0501	0.7378	0.9281	0.018*

	U11	U22	U33	U12	U13	U23
Fe1	0.0115 (2)	0.0095 (2)	0.0126 (2)	0.00115 (15)	0.00292 (16)	0.00043 (15)
Fe2	0.0125 (3)	0.0171 (3)	0.0143 (3)	−0.0025 (2)	0.0040 (2)	−0.0033 (2)
O1	0.0240 (13)	0.0255 (13)	0.0297 (14)	−0.0087 (11)	0.0112 (10)	−0.0113 (11)
O2	0.0152 (12)	0.0420 (16)	0.0312 (14)	0.0014 (11)	0.0002 (10)	0.0111 (12)
O3	0.065 (2)	0.0274 (15)	0.0368 (16)	−0.0274 (15)	0.0179 (15)	−0.0142 (12)
N1	0.0154 (12)	0.0117 (12)	0.0127 (12)	0.0005 (10)	0.0030 (9)	0.0004 (9)
N2	0.0175 (12)	0.0117 (12)	0.0126 (12)	0.0018 (10)	0.0022 (9)	−0.0003 (10)
N3	0.0144 (13)	0.0112 (12)	0.0156 (13)	0.0019 (10)	0.0033 (10)	−0.0001 (9)
N4	0.0146 (12)	0.0141 (13)	0.0154 (12)	0.0045 (10)	0.0028 (10)	−0.0012 (10)
N5	0.0126 (12)	0.0145 (12)	0.0131 (12)	0.0008 (10)	0.0028 (9)	−0.0008 (10)
N6	0.0177 (13)	0.0135 (12)	0.0146 (12)	−0.0001 (10)	0.0043 (10)	−0.0017 (10)
N7	0.0203 (14)	0.0233 (15)	0.0231 (15)	−0.0024 (12)	0.0006 (12)	0.0013 (12)
N8	0.0192 (14)	0.0198 (14)	0.0194 (14)	−0.0016 (11)	0.0059 (11)	−0.0040 (11)
N9	0.0241 (15)	0.0135 (13)	0.0252 (15)	0.0025 (11)	0.0001 (11)	0.0003 (11)
C1	0.0218 (16)	0.0173 (15)	0.0151 (15)	0.0010 (13)	0.0018 (12)	0.0008 (12)
C2	0.0341 (19)	0.0143 (15)	0.0167 (15)	0.0032 (14)	−0.0004 (14)	0.0049 (12)
C3	0.0255 (17)	0.0099 (14)	0.0217 (16)	0.0019 (13)	0.0001 (13)	0.0013 (12)
C4	0.0156 (15)	0.0158 (15)	0.0195 (15)	−0.0003 (12)	0.0033 (12)	0.0024 (12)
C5	0.0157 (15)	0.0239 (17)	0.0210 (16)	0.0028 (13)	0.0068 (12)	0.0039 (13)
C6	0.0158 (15)	0.0235 (16)	0.0154 (14)	0.0034 (13)	0.0052 (11)	0.0015 (12)
C7	0.0132 (14)	0.0202 (16)	0.0202 (15)	0.0011 (12)	0.0010 (12)	0.0011 (13)
C8	0.0169 (15)	0.0267 (18)	0.0234 (17)	−0.0024 (14)	−0.0011 (13)	−0.0015 (14)
C9	0.0225 (16)	0.0202 (16)	0.0162 (15)	−0.0027 (13)	0.0009 (12)	−0.0025 (12)
C10	0.0140 (14)	0.0170 (15)	0.0140 (14)	0.0013 (12)	0.0012 (11)	−0.0017 (11)
C11	0.0148 (14)	0.0107 (14)	0.0160 (15)	0.0002 (11)	0.0019 (11)	0.0001 (11)
C12	0.0139 (14)	0.0136 (14)	0.0175 (15)	0.0023 (12)	0.0040 (11)	0.0008 (12)
C13	0.027 (2)	0.037 (2)	0.057 (3)	−0.0175 (18)	0.0123 (19)	−0.009 (2)
C14	0.027 (2)	0.049 (3)	0.041 (2)	0.0047 (19)	0.0040 (17)	0.018 (2)
C15	0.272 (13)	0.069 (4)	0.027 (3)	−0.107 (7)	0.007 (5)	0.001 (3)
B1	0.0174 (16)	0.0145 (16)	0.0134 (15)	0.0013 (13)	0.0030 (12)	−0.0008 (12)

Fe1—C11	1.922 (3)	N6—B1	1.554 (4)
Fe1—C10	1.930 (3)	N7—C12	1.144 (5)
Fe1—C12	1.930 (3)	N8—C11	1.150 (4)
Fe1—N1	1.963 (3)	N9—C10	1.148 (4)
Fe1—N5	1.979 (3)	C1—C2	1.391 (5)
Fe1—N3	1.984 (3)	C1—H1	0.9500
Fe2—N8i	2.109 (3)	C2—C3	1.382 (5)
Fe2—N8	2.109 (3)	C2—H2	0.9500
Fe2—O1i	2.127 (3)	C3—H3	0.9500
Fe2—O1	2.127 (3)	C4—C5	1.395 (5)
Fe2—O2	2.127 (3)	C4—H4	0.9500
Fe2—O2i	2.127 (3)	C5—C6	1.379 (5)
O1—C13	1.429 (5)	C5—H5	0.9500
O1—H1O	0.9286	C6—H6	0.9500
O2—C14	1.432 (5)	C7—C8	1.390 (5)
O2—H2O	0.8267	C7—H7	0.9500
O3—C15	1.410 (8)	C8—C9	1.383 (5)
O3—H3O	0.8500	C8—H8	0.9500
N1—C1	1.336 (4)	C9—H9	0.9500
N1—N2	1.361 (4)	C13—H13A	0.9800
N2—C3	1.344 (4)	C13—H13B	0.9800
N2—B1	1.537 (4)	C13—H13C	0.9800
N3—C4	1.329 (4)	C14—H14A	0.9800
N3—N4	1.364 (4)	C14—H14B	0.9800
N4—C6	1.359 (4)	C14—H14C	0.9800
N4—B1	1.535 (5)	C15—H15A	0.9800
N5—C7	1.350 (4)	C15—H15B	0.9800
N5—N6	1.363 (4)	C15—H15C	0.9800
N6—C9	1.345 (4)	B1—H10	1.1191
C11—Fe1—C10	87.03 (13)	C11—N8—Fe2	168.2 (3)
C11—Fe1—C12	87.23 (14)	N1—C1—C2	109.7 (3)
C10—Fe1—C12	89.59 (13)	N1—C1—H1	125.1
C11—Fe1—N1	90.58 (12)	C2—C1—H1	125.1
C10—Fe1—N1	176.91 (12)	C3—C2—C1	105.3 (3)
C12—Fe1—N1	92.27 (12)	C3—C2—H2	127.4
C11—Fe1—N5	95.46 (12)	C1—C2—H2	127.4
C10—Fe1—N5	89.89 (12)	N2—C3—C2	108.3 (3)
C12—Fe1—N5	177.23 (12)	N2—C3—H3	125.8
N1—Fe1—N5	88.37 (11)	C2—C3—H3	125.8
C11—Fe1—N3	176.14 (12)	N3—C4—C5	110.4 (3)
C10—Fe1—N3	93.65 (12)	N3—C4—H4	124.8
C12—Fe1—N3	88.97 (13)	C5—C4—H4	124.8
N1—Fe1—N3	88.87 (11)	C6—C5—C4	104.9 (3)
N5—Fe1—N3	88.34 (11)	C6—C5—H5	127.6
N8i—Fe2—N8	179.999 (1)	C4—C5—H5	127.6
N8i—Fe2—O1i	90.17 (10)	N4—C6—C5	108.6 (3)
N8—Fe2—O1i	89.83 (10)	N4—C6—H6	125.7
N8i—Fe2—O1	89.83 (10)	C5—C6—H6	125.7
N8—Fe2—O1	90.17 (10)	N5—C7—C8	109.9 (3)
O1i—Fe2—O1	179.998 (1)	N5—C7—H7	125.0
N8i—Fe2—O2	90.45 (11)	C8—C7—H7	125.0
N8—Fe2—O2	89.55 (11)	C9—C8—C7	105.1 (3)
O1i—Fe2—O2	94.03 (11)	C9—C8—H8	127.4
O1—Fe2—O2	85.97 (11)	C7—C8—H8	127.4
N8i—Fe2—O2i	89.55 (11)	N6—C9—C8	108.7 (3)
N8—Fe2—O2i	90.45 (11)	N6—C9—H9	125.7
O1i—Fe2—O2i	85.97 (11)	C8—C9—H9	125.7
O1—Fe2—O2i	94.03 (11)	N9—C10—Fe1	177.9 (3)
O2—Fe2—O2i	180.000 (1)	N8—C11—Fe1	176.1 (3)
C13—O1—Fe2	128.9 (2)	N7—C12—Fe1	176.7 (3)
C13—O1—H1O	115.3	O1—C13—H13A	109.5
Fe2—O1—H1O	115.2	O1—C13—H13B	109.5
C14—O2—Fe2	125.5 (2)	H13A—C13—H13B	109.5
C14—O2—H2O	101.2	O1—C13—H13C	109.5
Fe2—O2—H2O	132.2	H13A—C13—H13C	109.5
C15—O3—H3O	108.1	H13B—C13—H13C	109.5
C1—N1—N2	107.3 (3)	O2—C14—H14A	109.5
C1—N1—Fe1	133.4 (2)	O2—C14—H14B	109.5
N2—N1—Fe1	119.27 (19)	H14A—C14—H14B	109.5
C3—N2—N1	109.3 (3)	O2—C14—H14C	109.5
C3—N2—B1	131.1 (3)	H14A—C14—H14C	109.5
N1—N2—B1	119.6 (2)	H14B—C14—H14C	109.5
C4—N3—N4	107.4 (3)	O3—C15—H15A	109.5
C4—N3—Fe1	133.3 (2)	O3—C15—H15B	109.5
N4—N3—Fe1	119.4 (2)	H15A—C15—H15B	109.5
C6—N4—N3	108.8 (3)	O3—C15—H15C	109.5
C6—N4—B1	132.3 (3)	H15A—C15—H15C	109.5
N3—N4—B1	118.9 (3)	H15B—C15—H15C	109.5
C7—N5—N6	106.8 (3)	N4—B1—N2	106.8 (3)
C7—N5—Fe1	133.6 (2)	N4—B1—N6	106.7 (3)
N6—N5—Fe1	119.6 (2)	N2—B1—N6	106.7 (2)
C9—N6—N5	109.5 (3)	N4—B1—H10	111.0
C9—N6—B1	132.0 (3)	N2—B1—H10	110.1
N5—N6—B1	118.5 (2)	N6—B1—H10	115.1
N8i—Fe2—O1—C13	−20.3 (4)	N8i—Fe2—N8—C11	164 (4)
N8—Fe2—O1—C13	159.7 (4)	O1i—Fe2—N8—C11	−20.8 (14)
O1i—Fe2—O1—C13	−88 (7)	O1—Fe2—N8—C11	159.2 (14)
O2—Fe2—O1—C13	−110.8 (4)	O2—Fe2—N8—C11	73.2 (14)
O2i—Fe2—O1—C13	69.2 (4)	O2i—Fe2—N8—C11	−106.8 (14)
N8i—Fe2—O2—C14	−31.2 (3)	N2—N1—C1—C2	−0.4 (4)
N8—Fe2—O2—C14	148.8 (3)	Fe1—N1—C1—C2	−179.5 (2)
O1i—Fe2—O2—C14	−121.4 (3)	N1—C1—C2—C3	0.3 (4)
O1—Fe2—O2—C14	58.5 (3)	N1—N2—C3—C2	−0.3 (4)
O2i—Fe2—O2—C14	12 (53)	B1—N2—C3—C2	178.1 (3)
C11—Fe1—N1—C1	38.3 (3)	C1—C2—C3—N2	0.0 (4)
C10—Fe1—N1—C1	78 (2)	N4—N3—C4—C5	0.0 (4)
C12—Fe1—N1—C1	−48.9 (3)	Fe1—N3—C4—C5	−178.8 (2)
N5—Fe1—N1—C1	133.8 (3)	N3—C4—C5—C6	−0.3 (4)
N3—Fe1—N1—C1	−137.9 (3)	N3—N4—C6—C5	−0.4 (4)
C11—Fe1—N1—N2	−140.6 (2)	B1—N4—C6—C5	178.7 (3)
C10—Fe1—N1—N2	−101 (2)	C4—C5—C6—N4	0.4 (4)
C12—Fe1—N1—N2	132.1 (2)	N6—N5—C7—C8	0.1 (4)
N5—Fe1—N1—N2	−45.2 (2)	Fe1—N5—C7—C8	−177.2 (2)
N3—Fe1—N1—N2	43.2 (2)	N5—C7—C8—C9	−0.1 (4)
C1—N1—N2—C3	0.4 (4)	N5—N6—C9—C8	0.0 (4)
Fe1—N1—N2—C3	179.6 (2)	B1—N6—C9—C8	177.9 (3)
C1—N1—N2—B1	−178.2 (3)	C7—C8—C9—N6	0.0 (4)
Fe1—N1—N2—B1	1.0 (4)	C11—Fe1—C10—N9	63 (8)
C11—Fe1—N3—C4	53.1 (19)	C12—Fe1—C10—N9	150 (8)
C10—Fe1—N3—C4	−47.0 (3)	N1—Fe1—C10—N9	23 (10)
C12—Fe1—N3—C4	42.5 (3)	N5—Fe1—C10—N9	−33 (8)
N1—Fe1—N3—C4	134.8 (3)	N3—Fe1—C10—N9	−121 (8)
N5—Fe1—N3—C4	−136.8 (3)	Fe2—N8—C11—Fe1	−25 (6)
C11—Fe1—N3—N4	−125.6 (17)	C10—Fe1—C11—N8	100 (4)
C10—Fe1—N3—N4	134.3 (2)	C12—Fe1—C11—N8	10 (4)
C12—Fe1—N3—N4	−136.2 (2)	N1—Fe1—C11—N8	−82 (4)
N1—Fe1—N3—N4	−43.9 (2)	N5—Fe1—C11—N8	−170 (4)
N5—Fe1—N3—N4	44.5 (2)	N3—Fe1—C11—N8	0 (6)
C4—N3—N4—C6	0.2 (3)	C11—Fe1—C12—N7	179 (100)
Fe1—N3—N4—C6	179.2 (2)	C10—Fe1—C12—N7	92 (5)
C4—N3—N4—B1	−179.1 (3)	N1—Fe1—C12—N7	−91 (5)
Fe1—N3—N4—B1	−0.1 (4)	N5—Fe1—C12—N7	12 (7)
C11—Fe1—N5—C7	−47.6 (3)	N3—Fe1—C12—N7	−2 (5)
C10—Fe1—N5—C7	39.4 (3)	C6—N4—B1—N2	−122.6 (3)
C12—Fe1—N5—C7	119 (2)	N3—N4—B1—N2	56.4 (3)
N1—Fe1—N5—C7	−138.0 (3)	C6—N4—B1—N6	123.6 (3)
N3—Fe1—N5—C7	133.0 (3)	N3—N4—B1—N6	−57.4 (3)
C11—Fe1—N5—N6	135.3 (2)	C3—N2—B1—N4	124.2 (4)
C10—Fe1—N5—N6	−137.6 (2)	N1—N2—B1—N4	−57.6 (3)
C12—Fe1—N5—N6	−58 (3)	C3—N2—B1—N6	−122.0 (4)
N1—Fe1—N5—N6	44.9 (2)	N1—N2—B1—N6	56.2 (3)
N3—Fe1—N5—N6	−44.0 (2)	C9—N6—B1—N4	−119.9 (4)
C7—N5—N6—C9	−0.1 (3)	N5—N6—B1—N4	57.8 (3)
Fe1—N5—N6—C9	177.7 (2)	C9—N6—B1—N2	126.1 (3)
C7—N5—N6—B1	−178.3 (3)	N5—N6—B1—N2	−56.1 (3)
Fe1—N5—N6—B1	−0.5 (3)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1O···O3	0.93	1.75	2.645 (4)	161
O2—H2O···N7ii	0.83	1.97	2.769 (4)	161
O3—H3O···N9iii	0.85	1.97	2.815 (4)	172
O1—H1O···O3	0.93	1.75	2.645 (4)	161
O2—H2O···N7ii	0.83	1.97	2.769 (4)	161
C8—H8···N9iv	0.95	2.62	3.523 (5)	158
O3—H3O···N9iii	0.85	1.97	2.815 (4)	172

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1O⋯O3	0.93	1.75	2.645 (4)	161
O2—H2O⋯N7i	0.83	1.97	2.769 (4)	161
O3—H3O⋯N9ii	0.85	1.97	2.815 (4)	172
O1—H1O⋯O3	0.93	1.75	2.645 (4)	161
O2—H2O⋯N7i	0.83	1.97	2.769 (4)	161
C8—H8⋯N9iii	0.95	2.62	3.523 (5)	158
O3—H3O⋯N9ii	0.85	1.97	2.815 (4)	172

Symmetry codes: (i) ; (ii) ; (iii) .