Poly[sesqui(μ₄-biphenyl-4,4′-dicarboxyl­ato-κ⁴O:O′:O′′:O′′′)(diethyl­formamide-κO)gadolinium]

The crystal structure of the title compound, [Gd(C₁₄H₈O₄)_1.5(C₅H₁₁NO)]_n, comprises chains of Gd atoms intra­connected by the carboxyl­ate groups of the biphenyl-4,4′-dicarboxyl­ate (BPDC) linkers, one of which is disposed about a twofold axis. The Gd atom chains are aligned along the b axis and are inter­connected by BPDC linkers, creating a three-dimensional framework. A single diethyl­formamide (DEF) mol­ecule is bonded to each Gd atom. This mol­ecule is positioned in the cavities formed by the inter­connection of the Gd atom chains via the BPDC linkers. Due to the steric constraints of the carboxyl­ate groups, the square antiprismatic coordination geometry of eight O atoms (one from the DEF mol­ecule and seven from carboxyl­ate groups) around Gd is distorted.

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean [sigma](C-C) = 0.004 Å
• Disorder in main residue
• R factor = 0.028
• wR factor = 0.057
• Data-to-parameter ratio = 23.3

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.15 Ratio
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.06 Ratio

Alert level C
PLAT213_ALERT_2_C Atom N30     has ADP max/min Ratio .............       3.20 prolat
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        N30
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C31
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C33
PLAT301_ALERT_3_C Main Residue  Disorder .........................       5.00 Perc.

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   5 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
   5 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

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Computing details

Data collection: SAINT-Plus (Bruker Nonius, 2004); cell refinement: SAINT-Plus; data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XSHELL (Bruker Nonius, 2004); software used to prepare material for publication: enCIFer (Version 1.1; Allen et al., 2004).

Poly[sesqui(µ₄-biphenyl-4,4'-dicarboxylato- κ⁴O:O':O'':O''')(diethylformamide-κO)gadolinium]

Crystal data

[Gd(C14H8O4)1.5(C5H11NO)2]	F(000) = 2448
Mr = 618.70	Dx = 1.766 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 5090 reflections
a = 29.9380 (6) Å	θ = 2.3–28.8°
b = 8.8060 (2) Å	µ = 2.90 mm^−1
c = 19.6782 (4) Å	T = 120 K
β = 116.252 (1)°	Block, white
V = 4652.75 (17) Å^3	0.08 × 0.03 × 0.03 mm
Z = 8

Data collection

Bruker SMART APEXII CCD-based diffractometer	7882 independent reflections
Radiation source: fine-focus sealed tube, Siemens K FFMO 2K 90	5967 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.068
Detector resolution: 83.3 pixels mm^-1	θmax = 31.8°, θmin = 1.5°
φ and ω scans	h = −44→44
Absorption correction: multi-scan (Blessing, 1995)	k = −12→13
Tmin = 0.884, Tmax = 0.930	l = −28→29
53683 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.028	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.057	H-atom parameters constrained
S = 1.00	w = 1/[σ^2(Fo^2) + (0.024P)^2] where P = (Fo^2 + 2Fc^2)/3
7882 reflections	(Δ/σ)max = 0.002
338 parameters	Δρmax = 1.19 e Å^−3
0 restraints	Δρmin = −1.01 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Gd1	0.247584 (4)	0.660136 (12)	0.218876 (6)	0.00981 (3)
O1	0.31987 (6)	0.53648 (19)	0.21860 (9)	0.0156 (3)
O2	0.29513 (6)	0.39354 (18)	0.28711 (10)	0.0137 (3)
O3	0.29128 (6)	0.72401 (19)	0.34483 (10)	0.0170 (4)
O4	0.30548 (6)	0.97356 (19)	0.36384 (10)	0.0177 (4)
C1	0.32874 (8)	0.4378 (3)	0.26890 (13)	0.0118 (4)
C2	0.38137 (8)	0.3828 (3)	0.31243 (13)	0.0121 (4)
C4	0.41922 (8)	0.4501 (3)	0.30010 (14)	0.0150 (5)
H4	0.4112	0.5226	0.2606	0.018*
C5	0.46858 (9)	0.4121 (3)	0.34506 (14)	0.0174 (5)
H5	0.4942	0.4619	0.3377	0.021*
C6	0.48077 (9)	0.3014 (3)	0.40088 (14)	0.0160 (5)
C7	0.44272 (9)	0.2294 (3)	0.41050 (15)	0.0200 (5)
H7	0.4505	0.1505	0.4469	0.024*
C8	0.39337 (9)	0.2713 (3)	0.36755 (14)	0.0175 (5)
H8	0.3678	0.2235	0.3759	0.021*
C9	0.46642 (9)	0.7352 (3)	0.54683 (14)	0.0164 (5)
C10	0.43416 (9)	0.6192 (3)	0.50499 (15)	0.0175 (5)
H10	0.4452	0.5167	0.5130	0.021*
C11	0.38630 (9)	0.6530 (3)	0.45209 (14)	0.0163 (5)
H11	0.3648	0.5733	0.4237	0.020*
C12	0.36913 (8)	0.8015 (3)	0.43978 (13)	0.0130 (5)
C13	0.40035 (9)	0.9168 (3)	0.48318 (14)	0.0179 (5)
H13	0.3886	1.0185	0.4766	0.021*
C14	0.44882 (9)	0.8840 (3)	0.53631 (15)	0.0194 (5)
H14	0.4700	0.9636	0.5656	0.023*
C15	0.31810 (8)	0.8363 (3)	0.37856 (13)	0.0135 (4)
O5	0.30602 (7)	0.8428 (2)	0.22232 (12)	0.0245 (4)
O6	0.30509 (6)	1.09608 (19)	0.22668 (10)	0.0173 (4)
C21	0.32554 (9)	0.9708 (3)	0.22703 (15)	0.0184 (5)
C22	0.37763 (10)	0.9737 (3)	0.23430 (17)	0.0232 (6)
C23	0.39481 (10)	1.0972 (3)	0.20902 (17)	0.0230 (6)
H23	0.3736	1.1820	0.1873	0.028*
C24	0.44278 (10)	1.0975 (3)	0.21529 (18)	0.0259 (6)
H24	0.4542	1.1824	0.1976	0.031*
C25	0.47454 (10)	0.9742 (3)	0.24740 (18)	0.0287 (7)
C26	0.45745 (12)	0.8523 (3)	0.2740 (2)	0.0370 (8)
H26	0.4790	0.7689	0.2972	0.044*
C27	0.40922 (11)	0.8510 (3)	0.2671 (2)	0.0335 (8)
H27	0.3978	0.7661	0.2847	0.040*
O30	0.21664 (7)	0.74528 (19)	0.09122 (10)	0.0209 (4)
C30	0.21870 (13)	0.8710 (3)	0.06507 (17)	0.0343 (8)
H30	0.2359	0.9502	0.0996	0.041*
C31	0.17001 (12)	0.7868 (3)	−0.06335 (16)	0.0320 (7)
H31A	0.1843	0.6852	−0.0445	0.038*
H31B	0.1724	0.8061	−0.1112	0.038*
C32	0.11560 (15)	0.7889 (4)	−0.0786 (2)	0.0489 (10)
H32A	0.1134	0.7812	−0.0305	0.073*
H32B	0.0982	0.7029	−0.1111	0.073*
H32C	0.1002	0.8841	−0.1039	0.073*
N30	0.19854 (13)	0.9016 (3)	−0.00754 (14)	0.0465 (8)
C33	0.1918 (2)	1.0610 (5)	−0.0376 (3)	0.0193 (13)	0.533 (8)
H33A	0.1895	1.1342	−0.0010	0.023*	0.533 (8)
H33B	0.1617	1.0700	−0.0865	0.023*	0.533 (8)
C34	0.2388 (2)	1.0863 (7)	−0.0474 (3)	0.0242 (14)	0.533 (8)
H34A	0.2679	1.0832	0.0023	0.036*	0.533 (8)
H34B	0.2371	1.1855	−0.0709	0.036*	0.533 (8)
H34C	0.2418	1.0063	−0.0798	0.036*	0.533 (8)
C33A	0.2240 (3)	1.0351 (8)	−0.0320 (4)	0.0268 (17)	0.467 (8)
H33C	0.2491	1.0886	0.0129	0.032*	0.467 (8)
H33D	0.2403	0.9959	−0.0626	0.032*	0.467 (8)
C34A	0.1817 (3)	1.1381 (7)	−0.0780 (4)	0.0314 (19)	0.467 (8)
H34D	0.1567	1.0815	−0.1207	0.047*	0.467 (8)
H34E	0.1941	1.2229	−0.0972	0.047*	0.467 (8)
H34F	0.1667	1.1775	−0.0462	0.047*	0.467 (8)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Gd1	0.00641 (5)	0.00969 (5)	0.01292 (5)	−0.00053 (5)	0.00392 (4)	−0.00095 (5)
O1	0.0117 (8)	0.0170 (8)	0.0185 (9)	0.0034 (7)	0.0069 (7)	0.0054 (7)
O2	0.0102 (8)	0.0131 (8)	0.0173 (9)	−0.0012 (6)	0.0058 (7)	−0.0010 (7)
O3	0.0144 (8)	0.0156 (8)	0.0160 (9)	−0.0019 (7)	0.0022 (7)	−0.0013 (7)
O4	0.0163 (8)	0.0136 (8)	0.0156 (9)	0.0040 (7)	0.0001 (7)	−0.0011 (7)
C1	0.0109 (10)	0.0105 (10)	0.0130 (11)	−0.0014 (8)	0.0044 (9)	−0.0034 (8)
C2	0.0073 (10)	0.0132 (10)	0.0133 (11)	0.0007 (8)	0.0022 (9)	−0.0008 (8)
C4	0.0114 (11)	0.0150 (11)	0.0181 (12)	0.0009 (9)	0.0060 (10)	0.0028 (9)
C5	0.0098 (11)	0.0177 (12)	0.0231 (13)	0.0002 (9)	0.0059 (10)	0.0040 (10)
C6	0.0110 (11)	0.0131 (11)	0.0198 (13)	0.0005 (8)	0.0031 (10)	0.0010 (9)
C7	0.0138 (12)	0.0192 (13)	0.0211 (13)	0.0006 (10)	0.0024 (10)	0.0079 (10)
C8	0.0125 (11)	0.0186 (12)	0.0187 (13)	−0.0011 (10)	0.0046 (10)	0.0046 (10)
C9	0.0096 (11)	0.0172 (12)	0.0184 (12)	0.0002 (9)	0.0025 (10)	0.0027 (10)
C10	0.0123 (11)	0.0125 (11)	0.0251 (14)	0.0017 (9)	0.0058 (10)	0.0018 (10)
C11	0.0139 (11)	0.0140 (11)	0.0182 (12)	0.0002 (10)	0.0044 (9)	−0.0016 (10)
C12	0.0092 (10)	0.0137 (11)	0.0143 (11)	0.0013 (8)	0.0036 (9)	0.0006 (9)
C13	0.0154 (12)	0.0134 (12)	0.0214 (13)	0.0020 (9)	0.0049 (10)	0.0017 (10)
C14	0.0158 (12)	0.0143 (11)	0.0220 (14)	−0.0045 (9)	0.0028 (11)	−0.0020 (10)
C15	0.0112 (10)	0.0160 (11)	0.0119 (11)	0.0024 (9)	0.0038 (9)	0.0001 (10)
O5	0.0218 (9)	0.0172 (9)	0.0439 (12)	−0.0093 (8)	0.0230 (9)	−0.0110 (9)
O6	0.0153 (9)	0.0154 (8)	0.0257 (10)	−0.0014 (7)	0.0132 (8)	−0.0028 (7)
C21	0.0153 (12)	0.0203 (12)	0.0258 (14)	−0.0055 (10)	0.0147 (11)	−0.0060 (11)
C22	0.0223 (13)	0.0173 (12)	0.0423 (17)	−0.0035 (10)	0.0253 (13)	−0.0091 (12)
C23	0.0218 (13)	0.0163 (12)	0.0380 (17)	−0.0024 (10)	0.0197 (13)	−0.0040 (12)
C24	0.0271 (15)	0.0176 (13)	0.0447 (18)	−0.0040 (11)	0.0265 (14)	−0.0024 (13)
C25	0.0261 (14)	0.0197 (13)	0.054 (2)	−0.0029 (11)	0.0299 (15)	−0.0033 (13)
C26	0.0327 (16)	0.0167 (14)	0.079 (3)	0.0030 (12)	0.0405 (18)	0.0047 (15)
C27	0.0320 (16)	0.0144 (13)	0.072 (2)	−0.0019 (12)	0.0393 (17)	−0.0007 (14)
O30	0.0316 (11)	0.0161 (9)	0.0181 (9)	−0.0006 (8)	0.0138 (8)	0.0028 (7)
C30	0.069 (2)	0.0150 (14)	0.0226 (15)	−0.0099 (14)	0.0238 (16)	−0.0031 (11)
C31	0.058 (2)	0.0201 (13)	0.0207 (15)	−0.0039 (14)	0.0203 (15)	−0.0028 (12)
C32	0.077 (3)	0.0322 (17)	0.064 (3)	0.0027 (18)	0.055 (2)	0.0038 (18)
N30	0.106 (3)	0.0140 (12)	0.0194 (13)	−0.0126 (14)	0.0278 (16)	−0.0011 (10)
C33	0.023 (3)	0.013 (2)	0.024 (3)	0.007 (2)	0.012 (2)	0.009 (2)
C34	0.032 (3)	0.016 (3)	0.033 (3)	−0.006 (2)	0.023 (3)	−0.008 (2)
C33A	0.032 (4)	0.022 (3)	0.022 (3)	−0.008 (3)	0.008 (3)	0.000 (3)
C34A	0.045 (4)	0.024 (4)	0.026 (4)	0.005 (3)	0.016 (3)	0.004 (3)

Geometric parameters (Å, º)

Gd1—O3	2.3027 (17)	O6—C21	1.260 (3)
Gd1—O6^i	2.3339 (16)	O6—Gd1^ii	2.3339 (16)
Gd1—O5	2.3554 (17)	C21—C22	1.502 (3)
Gd1—O4^i	2.3633 (16)	C22—C23	1.386 (4)
Gd1—O30	2.3816 (17)	C22—C27	1.392 (4)
Gd1—O2^ii	2.3959 (16)	C23—C24	1.386 (4)
Gd1—O1	2.4249 (16)	C23—H23	0.9500
Gd1—O2	2.7658 (16)	C24—C25	1.397 (4)
O1—C1	1.254 (3)	C24—H24	0.9500
O2—C1	1.270 (3)	C25—C26	1.387 (4)
O2—Gd1^i	2.3959 (16)	C25—C25^iv	1.482 (5)
O3—C15	1.262 (3)	C26—C27	1.389 (4)
O4—C15	1.261 (3)	C26—H26	0.9500
O4—Gd1^ii	2.3633 (16)	C27—H27	0.9500
C1—C2	1.502 (3)	O30—C30	1.234 (3)
C2—C8	1.388 (3)	C30—N30	1.310 (4)
C2—C4	1.392 (3)	C30—H30	0.9500
C4—C5	1.387 (3)	C31—N30	1.459 (4)
C4—H4	0.9500	C31—C32	1.520 (5)
C5—C6	1.391 (3)	C31—H31A	0.9900
C5—H5	0.9500	C31—H31B	0.9900
C6—C7	1.388 (3)	C32—H32A	0.9800
C6—C9^iii	1.491 (3)	C32—H32B	0.9800
C7—C8	1.389 (3)	C32—H32C	0.9800
C7—H7	0.9500	N30—C33	1.502 (5)
C8—H8	0.9500	N30—C33A	1.587 (8)
C9—C14	1.393 (3)	C33—C34	1.518 (8)
C9—C10	1.397 (3)	C33—H33A	0.9900
C9—C6^iii	1.491 (3)	C33—H33B	0.9900
C10—C11	1.381 (3)	C34—H34A	0.9800
C10—H10	0.9500	C34—H34B	0.9800
C11—C12	1.386 (3)	C34—H34C	0.9800
C11—H11	0.9500	C33A—C34A	1.493 (9)
C12—C13	1.389 (3)	C33A—H33C	0.9900
C12—C15	1.500 (3)	C33A—H33D	0.9900
C13—C14	1.393 (3)	C34A—H34D	0.9800
C13—H13	0.9500	C34A—H34E	0.9800
C14—H14	0.9500	C34A—H34F	0.9800
O5—C21	1.254 (3)
O3—Gd1—O6^i	75.07 (6)	C14—C13—H13	119.9
O3—Gd1—O5	75.00 (7)	C9—C14—C13	120.5 (2)
O6^i—Gd1—O5	142.74 (6)	C9—C14—H14	119.8
O3—Gd1—O4^i	143.12 (6)	C13—C14—H14	119.8
O6^i—Gd1—O4^i	76.31 (6)	O4—C15—O3	125.0 (2)
O5—Gd1—O4^i	139.38 (6)	O4—C15—C12	118.4 (2)
O3—Gd1—O30	146.01 (6)	O3—C15—C12	116.6 (2)
O6^i—Gd1—O30	122.26 (6)	C21—O5—Gd1	158.74 (16)
O5—Gd1—O30	75.69 (7)	C21—O6—Gd1^ii	129.37 (15)
O4^i—Gd1—O30	70.31 (6)	O5—C21—O6	125.2 (2)
O3—Gd1—O2^ii	83.11 (6)	O5—C21—C22	116.9 (2)
O6^i—Gd1—O2^ii	77.04 (6)	O6—C21—C22	117.8 (2)
O5—Gd1—O2^ii	77.81 (6)	C23—C22—C27	119.4 (2)
O4^i—Gd1—O2^ii	112.39 (6)	C23—C22—C21	120.9 (2)
O30—Gd1—O2^ii	74.21 (6)	C27—C22—C21	119.7 (2)
O3—Gd1—O1	91.69 (6)	C24—C23—C22	120.3 (3)
O6^i—Gd1—O1	132.64 (6)	C24—C23—H23	119.9
O5—Gd1—O1	69.79 (6)	C22—C23—H23	119.9
O4^i—Gd1—O1	90.86 (6)	C23—C24—C25	120.7 (2)
O30—Gd1—O1	94.02 (6)	C23—C24—H24	119.7
O2^ii—Gd1—O1	147.41 (6)	C25—C24—H24	119.7
O3—Gd1—O2	76.08 (5)	C26—C25—C24	118.8 (2)
O6^i—Gd1—O2	83.06 (5)	C26—C25—C25^iv	120.9 (2)
O5—Gd1—O2	110.46 (6)	C24—C25—C25^iv	120.3 (2)
O4^i—Gd1—O2	77.83 (5)	C25—C26—C27	120.7 (3)
O30—Gd1—O2	130.98 (5)	C25—C26—H26	119.7
O2^ii—Gd1—O2	154.278 (11)	C27—C26—H26	119.7
O1—Gd1—O2	49.59 (5)	C26—C27—C22	120.2 (3)
C1—O1—Gd1	100.77 (14)	C26—C27—H27	119.9
C1—O2—Gd1^i	136.20 (15)	C22—C27—H27	119.9
C1—O2—Gd1	84.52 (13)	C30—O30—Gd1	130.88 (18)
Gd1^i—O2—Gd1	123.74 (6)	O30—C30—N30	123.8 (3)
C15—O3—Gd1	133.17 (16)	O30—C30—H30	118.1
C15—O4—Gd1^ii	150.02 (15)	N30—C30—H30	118.1
O1—C1—O2	121.2 (2)	N30—C31—C32	111.1 (3)
O1—C1—C2	118.4 (2)	N30—C31—H31A	109.4
O2—C1—C2	120.2 (2)	C32—C31—H31A	109.4
C8—C2—C4	119.2 (2)	N30—C31—H31B	109.4
C8—C2—C1	121.2 (2)	C32—C31—H31B	109.4
C4—C2—C1	119.5 (2)	H31A—C31—H31B	108.0
C5—C4—C2	120.4 (2)	C31—C32—H32A	109.5
C5—C4—H4	119.8	C31—C32—H32B	109.5
C2—C4—H4	119.8	H32A—C32—H32B	109.5
C4—C5—C6	120.4 (2)	C31—C32—H32C	109.5
C4—C5—H5	119.8	H32A—C32—H32C	109.5
C6—C5—H5	119.8	H32B—C32—H32C	109.5
C7—C6—C5	118.9 (2)	C30—N30—C31	120.8 (2)
C7—C6—C9^iii	119.4 (2)	C30—N30—C33	122.6 (3)
C5—C6—C9^iii	121.6 (2)	C31—N30—C33	114.8 (3)
C6—C7—C8	120.8 (2)	C30—N30—C33A	115.6 (3)
C6—C7—H7	119.6	C31—N30—C33A	119.0 (3)
C8—C7—H7	119.6	N30—C33—C34	102.5 (4)
C2—C8—C7	120.1 (2)	N30—C33—H33A	111.3
C2—C8—H8	119.9	C34—C33—H33A	111.3
C7—C8—H8	119.9	N30—C33—H33B	111.3
C14—C9—C10	118.9 (2)	C34—C33—H33B	111.3
C14—C9—C6^iii	121.5 (2)	H33A—C33—H33B	109.2
C10—C9—C6^iii	119.6 (2)	C34A—C33A—N30	104.0 (6)
C11—C10—C9	120.2 (2)	C34A—C33A—H33C	111.0
C11—C10—H10	119.9	N30—C33A—H33C	111.0
C9—C10—H10	119.9	C34A—C33A—H33D	111.0
C10—C11—C12	121.1 (2)	N30—C33A—H33D	111.0
C10—C11—H11	119.5	H33C—C33A—H33D	109.0
C12—C11—H11	119.5	C33A—C34A—H34D	109.5
C11—C12—C13	119.0 (2)	C33A—C34A—H34E	109.5
C11—C12—C15	120.0 (2)	H34D—C34A—H34E	109.5
C13—C12—C15	120.9 (2)	C33A—C34A—H34F	109.5
C12—C13—C14	120.3 (2)	H34D—C34A—H34F	109.5
C12—C13—H13	119.9	H34E—C34A—H34F	109.5

Symmetry codes: (i) −x+1/2, y−1/2, −z+1/2; (ii) −x+1/2, y+1/2, −z+1/2; (iii) −x+1, −y+1, −z+1; (iv) −x+1, y, −z+1/2.