Topological studies of three related metal-organic frameworks of Gd^III and 5-nitroisophthalate

The reaction of 5-nitroisophthalic acid (H₂NIA) with Gd(NO₃)₃·6H₂O in DMF afforded three new metal-organic frameworks: [Gd(NIA)_1.5(DMF)₂]·DMF (I), [Gd₂(NIA)₃(DMF)₄]·xH₂O (II) and [Gd₄(NIA)₆(DMF)_5.5(H₂O)₃]·4DMF·H₂O (III). These compounds can be prepared through a variety of methods. Compounds (I) and (II) are more reproducibly formed than compound (III). Network analysis revealed (I) to have a (4¹².6³)-pcu topology, while (II) displays a (4².8⁴)(4².8⁴)-pts topology. Compound (III) was found to present the uncommon 4,5,6T11 topological net, which combines aspects of both the pcu and pts topologies. The short symbol of this net is (4⁴.6²)(4⁶.6⁴)₂(4⁸.6⁶.8).

Computing details

For all compounds, data collection: COLLECT 2000; cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997).

Figures

(I)

Crystal data

C21H25.50GdN4.50O12	F(000) = 2744
Mr = 690.21	Dx = 1.780 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 21.622 (4) Å	Cell parameters from 7835 reflections
b = 16.800 (3) Å	θ = 2.8–30.5°
c = 16.317 (3) Å	µ = 2.65 mm^−1
β = 119.628 (4)°	T = 173 K
V = 5152.1 (16) Å^3	Irregular blocks, pale yellow
Z = 8	0.30 × 0.25 × 0.20 mm

Data collection

Nonius Kappa CCD diffractometer	7835 independent reflections
Radiation source: fine-focus sealed tube	6965 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.023
ω– and phi–scans of 1 deg.	θmax = 30.5°, θmin = 2.8°
Absorption correction: multi-scan program SADABS	h = −30→22
Tmin = 0.504, Tmax = 0.620	k = −23→21
32987 measured reflections	l = −11→23

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)] = 0.019	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.051	H-atom parameters constrained
S = 1.06	w = 1/[σ^2(Fo^2) + (0.0243P)^2 + 8.0611P] where P = (Fo^2 + 2Fc^2)/3
7835 reflections	(Δ/σ)max = 0.003
355 parameters	Δρmax = 1.20 e Å^−3
0 restraints	Δρmin = −0.98 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
Gd1	0.188913 (4)	0.356601 (5)	−0.002144 (5)	0.00978 (3)
O8	0.37580 (7)	0.24871 (8)	0.10891 (9)	0.0156 (2)
O10	0.09497 (7)	0.42975 (9)	−0.12339 (9)	0.0195 (3)
O11	0.08618 (7)	0.33374 (9)	0.01879 (10)	0.0201 (3)
O7	0.31390 (7)	0.36207 (8)	0.08513 (9)	0.0164 (3)
O1	0.22158 (7)	0.37009 (8)	−0.12145 (9)	0.0155 (2)
O2	0.27771 (7)	0.25304 (8)	−0.09745 (9)	0.0176 (3)
O5	0.22647 (7)	0.49991 (8)	−0.48463 (9)	0.0164 (2)
O6	0.20305 (7)	0.55121 (8)	−0.37781 (9)	0.0179 (3)
C10	0.43776 (9)	0.36538 (10)	0.18939 (12)	0.0133 (3)
C11	0.5000	0.32436 (15)	0.2500	0.0140 (4)
H11	0.5000	0.2678	0.2500	0.017*
C5	0.28136 (10)	0.36039 (11)	−0.38145 (13)	0.0155 (3)
H5	0.2863	0.3682	−0.4356	0.019*
C9	0.37035 (9)	0.32149 (11)	0.12228 (12)	0.0131 (3)
C1	0.25394 (9)	0.31774 (11)	−0.14117 (12)	0.0138 (3)
C12	0.43724 (9)	0.44843 (11)	0.19035 (12)	0.0147 (3)
H12	0.3949	0.4773	0.1511	0.018*
C8	0.24042 (9)	0.40422 (11)	−0.27553 (12)	0.0143 (3)
H8	0.2182	0.4434	−0.2568	0.017*
C2	0.26464 (9)	0.33332 (11)	−0.22423 (12)	0.0136 (3)
N2	0.5000	0.57533 (14)	0.2500	0.0203 (4)
O9	0.44241 (8)	0.61015 (9)	0.20974 (12)	0.0293 (3)
O4	0.33821 (9)	0.23963 (10)	−0.43363 (11)	0.0297 (3)
C6	0.24873 (9)	0.41778 (10)	−0.35390 (12)	0.0137 (3)
C7	0.22417 (9)	0.49429 (11)	−0.40924 (12)	0.0142 (3)
C3	0.29915 (9)	0.27660 (11)	−0.24979 (12)	0.0156 (3)
H3	0.3171	0.2289	−0.2145	0.019*
O3	0.37771 (10)	0.17995 (11)	−0.29907 (13)	0.0387 (4)
N4	0.07498 (9)	0.45209 (11)	−0.27182 (12)	0.0239 (3)
C13	0.5000	0.48776 (15)	0.2500	0.0154 (4)
N1	0.34361 (9)	0.23285 (11)	−0.35546 (13)	0.0233 (3)
C18	0.06528 (12)	0.36759 (13)	−0.29853 (16)	0.0247 (4)
H18A	0.0763	0.3349	−0.2432	0.037*
H18B	0.0972	0.3531	−0.3227	0.037*
H18C	0.0159	0.3584	−0.3476	0.037*
N3	0.00197 (9)	0.26168 (11)	0.03132 (13)	0.0243 (4)
C4	0.30647 (10)	0.29173 (11)	−0.32805 (13)	0.0164 (3)
C17	0.08924 (10)	0.47526 (13)	−0.18708 (14)	0.0226 (4)
H17	0.0956	0.5306	−0.1736	0.027*
C14	0.06134 (10)	0.26914 (13)	0.02590 (13)	0.0206 (4)
H14	0.0862	0.2220	0.0276	0.025*
C19	0.06273 (13)	0.50910 (15)	−0.34532 (16)	0.0316 (5)
H19A	0.0695	0.5632	−0.3198	0.047*
H19B	0.0140	0.5033	−0.3977	0.047*
H19C	0.0964	0.4992	−0.3680	0.047*
N5	0.34184 (10)	0.53785 (12)	−0.10802 (13)	0.0263 (4)
O12	0.40470 (9)	0.42798 (11)	−0.02841 (12)	0.0368 (4)
C20	0.35722 (11)	0.47696 (13)	−0.04785 (15)	0.0242 (4)
H20	0.3293	0.4713	−0.0180	0.029*
C22	0.28145 (13)	0.58956 (14)	−0.13158 (16)	0.0295 (5)
H22A	0.2557	0.5703	−0.1001	0.044*
H22B	0.2496	0.5893	−0.2000	0.044*
H22C	0.2984	0.6439	−0.1105	0.044*
C21	0.38110 (15)	0.54839 (19)	−0.15845 (19)	0.0415 (6)
H21A	0.4198	0.5094	−0.1358	0.062*
H21B	0.4010	0.6023	−0.1474	0.062*
H21C	0.3489	0.5406	−0.2261	0.062*
C16	−0.03955 (13)	0.33103 (15)	0.02944 (19)	0.0316 (5)
H16A	−0.0346	0.3387	0.0919	0.047*
H16B	−0.0898	0.3225	−0.0170	0.047*
H16C	−0.0221	0.3784	0.0121	0.047*
C15	−0.02020 (14)	0.18478 (16)	0.0494 (2)	0.0394 (6)
H15A	0.0117	0.1431	0.0498	0.059*
H15B	−0.0690	0.1734	−0.0002	0.059*
H15C	−0.0182	0.1861	0.1107	0.059*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Gd1	0.00715 (4)	0.01078 (4)	0.01084 (4)	−0.00017 (3)	0.00400 (3)	−0.00016 (3)
O8	0.0132 (6)	0.0143 (6)	0.0162 (6)	−0.0014 (5)	0.0048 (5)	−0.0018 (5)
O10	0.0131 (6)	0.0208 (7)	0.0207 (6)	0.0027 (5)	0.0054 (5)	0.0038 (5)
O11	0.0147 (6)	0.0230 (7)	0.0251 (7)	−0.0033 (5)	0.0118 (6)	−0.0015 (6)
O7	0.0089 (6)	0.0171 (6)	0.0188 (6)	0.0008 (5)	0.0034 (5)	0.0009 (5)
O1	0.0145 (6)	0.0187 (6)	0.0153 (6)	−0.0002 (5)	0.0088 (5)	0.0007 (5)
O2	0.0167 (6)	0.0170 (6)	0.0174 (6)	0.0005 (5)	0.0072 (5)	0.0049 (5)
O5	0.0188 (6)	0.0163 (6)	0.0153 (6)	0.0003 (5)	0.0093 (5)	0.0018 (5)
O6	0.0206 (6)	0.0169 (6)	0.0201 (6)	0.0047 (5)	0.0131 (5)	0.0044 (5)
C10	0.0086 (7)	0.0149 (8)	0.0147 (7)	−0.0008 (6)	0.0045 (6)	−0.0003 (6)
C11	0.0118 (10)	0.0130 (11)	0.0169 (11)	0.000	0.0068 (9)	0.000
C5	0.0145 (8)	0.0172 (8)	0.0157 (8)	−0.0011 (6)	0.0081 (7)	0.0001 (6)
C9	0.0096 (7)	0.0148 (8)	0.0135 (7)	−0.0016 (6)	0.0047 (6)	0.0001 (6)
C1	0.0108 (7)	0.0160 (8)	0.0129 (7)	−0.0033 (6)	0.0046 (6)	0.0003 (6)
C12	0.0094 (7)	0.0152 (8)	0.0171 (7)	0.0014 (6)	0.0047 (6)	0.0006 (6)
C8	0.0134 (7)	0.0147 (8)	0.0149 (7)	0.0012 (6)	0.0070 (6)	0.0005 (6)
C2	0.0128 (8)	0.0136 (8)	0.0146 (7)	−0.0009 (6)	0.0069 (6)	0.0010 (6)
N2	0.0157 (10)	0.0150 (11)	0.0272 (11)	0.000	0.0083 (9)	0.000
O9	0.0167 (7)	0.0183 (7)	0.0445 (9)	0.0041 (6)	0.0086 (7)	0.0033 (7)
O4	0.0344 (9)	0.0333 (9)	0.0303 (8)	0.0051 (7)	0.0227 (7)	−0.0035 (7)
C6	0.0122 (7)	0.0135 (8)	0.0146 (7)	−0.0001 (6)	0.0060 (6)	0.0016 (6)
C7	0.0109 (7)	0.0148 (8)	0.0161 (7)	−0.0001 (6)	0.0059 (6)	0.0026 (6)
C3	0.0140 (8)	0.0144 (8)	0.0183 (8)	0.0007 (6)	0.0078 (7)	0.0012 (6)
O3	0.0512 (11)	0.0291 (9)	0.0488 (10)	0.0214 (8)	0.0346 (9)	0.0139 (8)
N4	0.0180 (8)	0.0261 (9)	0.0241 (8)	−0.0014 (7)	0.0078 (7)	0.0046 (7)
C13	0.0130 (11)	0.0120 (11)	0.0197 (11)	0.000	0.0070 (9)	0.000
N1	0.0251 (9)	0.0205 (8)	0.0303 (9)	0.0032 (7)	0.0182 (8)	−0.0008 (7)
C18	0.0205 (10)	0.0254 (11)	0.0252 (10)	0.0000 (8)	0.0089 (8)	−0.0004 (8)
N3	0.0189 (8)	0.0250 (9)	0.0329 (9)	−0.0031 (7)	0.0159 (7)	−0.0002 (7)
C4	0.0154 (8)	0.0159 (8)	0.0199 (8)	0.0020 (7)	0.0104 (7)	−0.0011 (7)
C17	0.0144 (8)	0.0225 (10)	0.0254 (9)	0.0010 (7)	0.0055 (7)	0.0033 (8)
C14	0.0145 (8)	0.0265 (10)	0.0207 (8)	−0.0003 (7)	0.0087 (7)	0.0005 (7)
C19	0.0279 (11)	0.0344 (13)	0.0288 (10)	−0.0004 (9)	0.0113 (9)	0.0111 (9)
N5	0.0270 (9)	0.0303 (10)	0.0268 (8)	−0.0003 (8)	0.0172 (8)	0.0023 (7)
O12	0.0323 (9)	0.0393 (10)	0.0396 (9)	0.0090 (8)	0.0184 (8)	0.0038 (8)
C20	0.0234 (10)	0.0261 (10)	0.0237 (9)	−0.0016 (8)	0.0120 (8)	−0.0008 (8)
C22	0.0330 (12)	0.0271 (11)	0.0271 (10)	0.0027 (9)	0.0140 (9)	0.0024 (8)
C21	0.0423 (14)	0.0549 (17)	0.0412 (13)	−0.0039 (12)	0.0312 (12)	0.0044 (12)
C16	0.0283 (11)	0.0307 (12)	0.0463 (13)	−0.0044 (9)	0.0265 (11)	−0.0050 (10)
C15	0.0348 (13)	0.0306 (13)	0.0655 (18)	−0.0036 (10)	0.0347 (13)	0.0061 (12)

Geometric parameters (Å, º)

Gd1—O2^i	2.3227 (13)	C5—C6	1.394 (2)
Gd1—O7	2.3525 (13)	C1—C2	1.506 (2)
Gd1—O10	2.3615 (13)	C12—C13	1.386 (2)
Gd1—O1	2.3873 (13)	C8—C6	1.395 (2)
Gd1—O8^i	2.3901 (13)	C8—C2	1.400 (2)
Gd1—O11	2.4389 (13)	C2—C3	1.395 (2)
Gd1—O6^ii	2.4484 (13)	N2—O9^iv	1.2310 (18)
Gd1—O5^ii	2.5143 (14)	N2—O9	1.2310 (18)
O8—C9	1.258 (2)	N2—C13	1.471 (3)
O8—Gd1^i	2.3902 (13)	O4—N1	1.227 (2)
O10—C17	1.246 (2)	C6—C7	1.508 (2)
O11—C14	1.241 (2)	C3—C4	1.386 (2)
O7—C9	1.261 (2)	O3—N1	1.229 (2)
O1—C1	1.261 (2)	N4—C17	1.318 (3)
O2—C1	1.262 (2)	N4—C19	1.453 (3)
O2—Gd1^i	2.3228 (13)	N4—C18	1.469 (3)
O5—C7	1.259 (2)	C13—C12^iv	1.386 (2)
O5—Gd1^iii	2.5143 (14)	N1—C4	1.476 (2)
O6—C7	1.272 (2)	N3—C14	1.335 (2)
O6—Gd1^iii	2.4484 (13)	N3—C15	1.458 (3)
C10—C12	1.395 (2)	N3—C16	1.462 (3)
C10—C11	1.396 (2)	N5—C20	1.341 (3)
C10—C9	1.513 (2)	N5—C22	1.453 (3)
C11—C10^iv	1.396 (2)	N5—C21	1.456 (3)
C5—C4	1.384 (3)	O12—C20	1.229 (3)
O2^i—Gd1—O7	74.98 (5)	O8—C9—C10	117.39 (15)
O2^i—Gd1—O10	147.13 (5)	O7—C9—C10	116.21 (16)
O7—Gd1—O10	137.88 (5)	O1—C1—O2	125.37 (16)
O2^i—Gd1—O1	122.07 (5)	O1—C1—C2	117.38 (15)
O7—Gd1—O1	77.03 (5)	O2—C1—C2	117.24 (16)
O10—Gd1—O1	75.29 (5)	C13—C12—C10	118.31 (17)
O2^i—Gd1—O8^i	77.90 (5)	C6—C8—C2	120.50 (16)
O7—Gd1—O8^i	123.61 (4)	C3—C2—C8	119.96 (15)
O10—Gd1—O8^i	79.83 (5)	C3—C2—C1	119.54 (16)
O1—Gd1—O8^i	77.20 (4)	C8—C2—C1	120.50 (16)
O2^i—Gd1—O11	76.51 (5)	O9^iv—N2—O9	123.3 (2)
O7—Gd1—O11	140.76 (5)	O9^iv—N2—C13	118.37 (12)
O10—Gd1—O11	74.55 (5)	O9—N2—C13	118.37 (12)
O1—Gd1—O11	141.83 (5)	C5—C6—C8	119.84 (16)
O8^i—Gd1—O11	74.93 (5)	C5—C6—C7	118.75 (15)
O2^i—Gd1—O6^ii	93.07 (5)	C8—C6—C7	121.40 (16)
O7—Gd1—O6^ii	80.69 (5)	O5—C7—O6	122.21 (16)
O10—Gd1—O6^ii	93.92 (5)	O5—C7—C6	118.45 (16)
O1—Gd1—O6^ii	130.51 (4)	O6—C7—C6	119.32 (15)
O8^i—Gd1—O6^ii	149.37 (4)	C4—C3—C2	118.15 (17)
O11—Gd1—O6^ii	74.50 (5)	C17—N4—C19	121.6 (2)
O2^i—Gd1—O5^ii	135.20 (4)	C17—N4—C18	121.44 (18)
O7—Gd1—O5^ii	71.58 (4)	C19—N4—C18	116.79 (18)
O10—Gd1—O5^ii	72.06 (5)	C12^iv—C13—C12	123.0 (2)
O1—Gd1—O5^ii	78.03 (4)	C12^iv—C13—N2	118.49 (12)
O8^i—Gd1—O5^ii	146.33 (4)	C12—C13—N2	118.49 (12)
O11—Gd1—O5^ii	113.60 (5)	O4—N1—O3	123.98 (18)
O6^ii—Gd1—O5^ii	53.02 (4)	O4—N1—C4	117.79 (17)
C9—O8—Gd1^i	140.78 (11)	O3—N1—C4	118.23 (17)
C17—O10—Gd1	135.05 (12)	C14—N3—C15	121.29 (19)
C14—O11—Gd1	128.08 (13)	C14—N3—C16	121.62 (18)
C9—O7—Gd1	144.99 (12)	C15—N3—C16	116.78 (17)
C1—O1—Gd1	124.56 (11)	C5—C4—C3	123.02 (17)
C1—O2—Gd1^i	167.85 (12)	C5—C4—N1	118.07 (16)
C7—O5—Gd1^iii	90.94 (11)	C3—C4—N1	118.90 (17)
C7—O6—Gd1^iii	93.68 (10)	O10—C17—N4	124.7 (2)
C12—C10—C11	119.74 (17)	O11—C14—N3	124.23 (19)
C12—C10—C9	119.02 (16)	C20—N5—C22	120.99 (17)
C11—C10—C9	121.24 (17)	C20—N5—C21	120.3 (2)
C10—C11—C10^iv	120.8 (2)	C22—N5—C21	118.5 (2)
C4—C5—C6	118.48 (16)	O12—C20—N5	124.9 (2)
O8—C9—O7	126.41 (16)

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

(II)

Crystal data

C36H42.35Gd2N7O24.67	F(000) = 5062
Mr = 1282.34	Dx = 1.652 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 24.9427 (2) Å	Cell parameters from 25385 reflections
b = 16.9411 (2) Å	θ = 1.0–27.5°
c = 25.2889 (2) Å	µ = 2.64 mm^−1
β = 105.208 (1)°	T = 173 K
V = 10311.77 (17) Å^3	Irregular blocks, pale yellow
Z = 8	0.30 × 0.20 × 0.15 mm

Data collection

Nonius Kappa CCD diffractometer	11826 independent reflections
Radiation source: fine-focus sealed tube	9903 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.082
ω– and phi–scans of 0.5 deg.	θmax = 27.5°, θmin = 1.6°
Absorption correction: multi-scan program SADABS	h = −32→32
Tmin = 0.505, Tmax = 0.693	k = −21→21
180368 measured reflections	l = −32→32

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)] = 0.040	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.114	H-atom parameters constrained
S = 1.13	w = 1/[σ^2(Fo^2) + (0.0543P)^2 + 84.1706P] where P = (Fo^2 + 2Fc^2)/3
11826 reflections	(Δ/σ)max = 0.001
616 parameters	Δρmax = 1.73 e Å^−3
0 restraints	Δρmin = −2.09 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	0.218148 (9)	0.817639 (12)	0.052427 (8)	0.01701 (7)
Gd2	0.408743 (9)	0.899477 (13)	−0.261900 (9)	0.01900 (7)
O21	0.35149 (18)	0.7840 (3)	−0.27179 (18)	0.0452 (10)
O8	0.12362 (14)	0.8762 (2)	0.04171 (14)	0.0265 (7)
O7	0.15039 (14)	0.7754 (2)	0.09801 (14)	0.0288 (8)
O17	0.33782 (14)	0.9825 (2)	−0.23919 (14)	0.0277 (7)
O14	0.21363 (14)	0.9137 (2)	−0.01861 (13)	0.0236 (7)
O13	0.25176 (14)	0.81279 (19)	−0.05061 (14)	0.0244 (7)
O2	0.34848 (13)	0.7478 (2)	0.01923 (14)	0.0271 (7)
O12	0.02815 (15)	0.6787 (2)	0.20631 (15)	0.0346 (9)
O11	−0.06335 (15)	0.6880 (2)	0.17329 (15)	0.0317 (8)
O6	0.45205 (15)	1.0122 (2)	0.19367 (15)	0.0316 (8)
O19	0.26483 (15)	0.7891 (2)	0.14812 (14)	0.0313 (8)
O18	0.36959 (17)	0.8845 (2)	−0.18203 (16)	0.0366 (9)
O5	0.54116 (15)	1.0093 (2)	0.19353 (15)	0.0340 (8)
C17	0.23784 (19)	0.8840 (3)	−0.05202 (18)	0.0210 (9)
C1	0.35421 (19)	0.8056 (3)	0.05138 (19)	0.0210 (9)
C9	0.11400 (19)	0.8246 (3)	0.07382 (19)	0.0222 (9)
O20	0.22862 (14)	0.9417 (2)	0.10166 (14)	0.0271 (7)
N2	−0.0807 (2)	0.9129 (3)	0.0342 (2)	0.0418 (12)
C23	0.3384 (2)	0.9430 (3)	−0.1967 (2)	0.0253 (10)
N7	0.3236 (2)	0.8825 (3)	−0.43919 (19)	0.0380 (11)
N5	0.2027 (2)	1.0663 (3)	0.1151 (2)	0.0399 (12)
C25	0.3052 (2)	0.8224 (3)	0.1784 (2)	0.0294 (11)
H25	0.3137	0.8746	0.1694	0.035*
N1	0.55757 (19)	0.7862 (3)	0.0673 (2)	0.0436 (13)
N3	0.2340 (2)	1.1508 (3)	−0.1325 (2)	0.0453 (13)
N4	0.3374 (2)	0.7896 (3)	0.2227 (2)	0.0420 (12)
C34	0.3336 (2)	0.8674 (4)	−0.3869 (2)	0.0383 (13)
H34	0.3333	0.8136	−0.3763	0.046*
C28	0.2053 (2)	1.0042 (3)	0.0846 (2)	0.0353 (12)
H28	0.1878	1.0079	0.0465	0.042*
C29	0.2262 (3)	1.0666 (4)	0.1741 (3)	0.0453 (15)
H29A	0.1962	1.0649	0.1924	0.068*
H29B	0.2481	1.1148	0.1848	0.068*
H29C	0.2503	1.0204	0.1848	0.068*
C35	0.3165 (4)	0.8218 (5)	−0.4803 (3)	0.072 (3)
H35A	0.3210	0.7699	−0.4625	0.109*
H35B	0.3444	0.8283	−0.5009	0.109*
H35C	0.2793	0.8258	−0.5053	0.109*
C36	0.3247 (4)	0.9638 (4)	−0.4579 (3)	0.060 (2)
H36A	0.3302	0.9996	−0.4266	0.091*
H36B	0.2893	0.9760	−0.4845	0.091*
H36C	0.3552	0.9702	−0.4753	0.091*
C27	0.3846 (3)	0.8314 (5)	0.2580 (3)	0.062 (2)
H27A	0.3873	0.8842	0.2431	0.093*
H27B	0.4188	0.8020	0.2596	0.093*
H27C	0.3793	0.8360	0.2949	0.093*
N6	0.3598 (2)	0.6589 (3)	−0.2390 (2)	0.0455 (12)
C7	0.4921 (2)	0.9858 (3)	0.17824 (19)	0.0243 (10)
C15	−0.0145 (2)	0.7052 (3)	0.1734 (2)	0.0251 (10)
C31	0.3398 (3)	0.7321 (4)	−0.2423 (2)	0.0400 (13)
H31	0.3151	0.7453	−0.2208	0.048*
C33	0.4008 (4)	0.6385 (5)	−0.2672 (4)	0.073 (2)
H33A	0.4094	0.6850	−0.2865	0.110*
H33B	0.3864	0.5964	−0.2936	0.110*
H33C	0.4346	0.6203	−0.2406	0.110*
C32	0.3417 (4)	0.5995 (4)	−0.2061 (3)	0.0577 (19)
H32A	0.3170	0.6238	−0.1863	0.087*
H32B	0.3741	0.5770	−0.1798	0.087*
H32C	0.3217	0.5576	−0.2301	0.087*
C8	0.42499 (19)	0.8935 (3)	0.11473 (18)	0.0217 (9)
H8	0.3956	0.9178	0.1262	0.026*
C10	0.0574 (2)	0.8216 (3)	0.0842 (2)	0.0239 (10)
C6	0.47924 (19)	0.9195 (3)	0.13667 (18)	0.0220 (9)
C2	0.41267 (19)	0.8323 (3)	0.07611 (18)	0.0219 (9)
C5	0.52278 (19)	0.8853 (3)	0.12028 (19)	0.0245 (10)
H5	0.5599	0.9033	0.1343	0.029*
C18	0.25198 (19)	0.9388 (3)	−0.09355 (18)	0.0221 (9)
C13	−0.0478 (2)	0.8114 (3)	0.1024 (2)	0.0260 (10)
H13	−0.0840	0.8078	0.1078	0.031*
C14	−0.0050 (2)	0.7628 (3)	0.13125 (19)	0.0239 (9)
C22	0.3005 (2)	0.9678 (3)	−0.16220 (19)	0.0243 (10)
C3	0.4569 (2)	0.7965 (3)	0.0602 (2)	0.0273 (10)
H3	0.4504	0.7545	0.0344	0.033*
C4	0.5105 (2)	0.8242 (3)	0.0830 (2)	0.0272 (10)
C19	0.2322 (2)	1.0157 (3)	−0.0974 (2)	0.0274 (10)
H19	0.2077	1.0326	−0.0765	0.033*
C24	0.2869 (2)	0.9149 (3)	−0.12543 (19)	0.0228 (9)
H24	0.3014	0.8627	−0.1222	0.027*
C20	0.2488 (2)	1.0668 (3)	−0.1322 (2)	0.0331 (12)
C21	0.2812 (2)	1.0440 (3)	−0.1662 (2)	0.0316 (11)
H21	0.2899	1.0800	−0.1916	0.038*
C11	0.0159 (2)	0.8717 (3)	0.0564 (2)	0.0276 (10)
H11	0.0228	0.9098	0.0314	0.033*
C12	−0.0361 (2)	0.8648 (3)	0.0659 (2)	0.0299 (11)
C16	0.04704 (19)	0.7669 (3)	0.12154 (19)	0.0237 (9)
H16	0.0758	0.7324	0.1404	0.028*
O22	0.34350 (15)	0.9176 (2)	−0.34991 (15)	0.0337 (8)
O1	0.31612 (13)	0.8423 (2)	0.06486 (14)	0.0248 (7)
C26	0.3250 (4)	0.7113 (5)	0.2399 (4)	0.073 (2)*
H26A	0.2995	0.7157	0.2633	0.109*
H26B	0.3595	0.6859	0.2604	0.109*
H26C	0.3077	0.6796	0.2075	0.109*
O9	−0.0720 (2)	0.9557 (3)	−0.0023 (2)	0.0590 (13)
O10	−0.1263 (2)	0.9081 (3)	0.0435 (2)	0.0646 (15)
O16	0.2539 (2)	1.1974 (3)	−0.1584 (2)	0.0561 (13)
O4	0.6047 (2)	0.8122 (3)	0.0864 (2)	0.0575 (13)*
O3A	0.5473 (3)	0.7200 (8)	0.0423 (5)	0.041 (3)*	0.57 (4)
O15	0.2010 (2)	1.1702 (3)	−0.1065 (2)	0.0687 (15)*
C30	0.1749 (4)	1.1388 (6)	0.0921 (4)	0.082 (3)*
H30A	0.1611	1.1333	0.0522	0.123*
H30B	0.2012	1.1829	0.1006	0.123*
H30C	0.1437	1.1491	0.1079	0.123*
O3B	0.5489 (4)	0.7447 (10)	0.0273 (6)	0.036 (4)*	0.43 (4)
O25	0.4693 (4)	0.6192 (6)	0.1381 (4)	0.088 (3)*	0.68
O24	0.4198 (6)	0.5960 (8)	0.0981 (6)	0.085 (4)*	0.48
O27	0.5137 (7)	1.0258 (10)	0.0204 (7)	0.099 (5)*	0.46
O28	0.4644 (11)	1.0717 (16)	0.0266 (11)	0.112 (8)*	0.33
O23	0.5500 (9)	0.6624 (14)	0.1758 (9)	0.124 (7)*	0.41
O26	0.5204 (13)	0.5972 (17)	0.1276 (12)	0.123 (9)*	0.32

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Gd1	0.01741 (11)	0.01823 (12)	0.01741 (11)	−0.00011 (8)	0.00816 (8)	−0.00059 (8)
Gd2	0.01669 (11)	0.02398 (13)	0.01819 (11)	−0.00011 (8)	0.00788 (8)	0.00022 (8)
O21	0.048 (2)	0.044 (2)	0.044 (2)	−0.023 (2)	0.013 (2)	0.0013 (19)
O8	0.0279 (18)	0.0266 (18)	0.0296 (18)	0.0004 (14)	0.0158 (15)	0.0040 (14)
O7	0.0229 (17)	0.037 (2)	0.0301 (18)	0.0032 (15)	0.0140 (14)	0.0092 (15)
O17	0.0306 (18)	0.0337 (19)	0.0227 (17)	0.0055 (15)	0.0140 (14)	0.0044 (14)
O14	0.0281 (17)	0.0262 (17)	0.0208 (16)	0.0038 (14)	0.0139 (14)	0.0023 (13)
O13	0.0253 (17)	0.0207 (17)	0.0285 (18)	0.0008 (13)	0.0093 (14)	0.0021 (13)
O2	0.0193 (16)	0.0301 (18)	0.0309 (18)	−0.0004 (14)	0.0049 (14)	−0.0097 (15)
O12	0.0285 (19)	0.050 (2)	0.0299 (19)	0.0127 (17)	0.0153 (16)	0.0175 (17)
O11	0.0269 (19)	0.040 (2)	0.0313 (19)	−0.0022 (15)	0.0141 (15)	0.0119 (16)
O6	0.0283 (18)	0.035 (2)	0.034 (2)	−0.0001 (15)	0.0130 (15)	−0.0140 (16)
O19	0.0318 (19)	0.038 (2)	0.0231 (17)	−0.0024 (16)	0.0060 (15)	0.0042 (15)
O18	0.043 (2)	0.038 (2)	0.039 (2)	0.0145 (17)	0.0284 (18)	0.0147 (17)
O5	0.0277 (19)	0.045 (2)	0.0295 (19)	−0.0092 (16)	0.0081 (15)	−0.0151 (16)
C17	0.021 (2)	0.024 (2)	0.018 (2)	0.0008 (18)	0.0049 (17)	−0.0005 (17)
C1	0.018 (2)	0.024 (2)	0.022 (2)	−0.0005 (17)	0.0069 (18)	−0.0007 (18)
C9	0.020 (2)	0.028 (2)	0.020 (2)	−0.0033 (18)	0.0087 (18)	−0.0020 (18)
O20	0.0301 (18)	0.0233 (17)	0.0278 (18)	0.0032 (14)	0.0076 (14)	−0.0050 (14)
N2	0.035 (3)	0.047 (3)	0.046 (3)	0.012 (2)	0.016 (2)	0.014 (2)
C23	0.026 (2)	0.027 (2)	0.026 (2)	0.0006 (19)	0.0113 (19)	0.0035 (19)
N7	0.044 (3)	0.042 (3)	0.024 (2)	−0.006 (2)	0.003 (2)	−0.001 (2)
N5	0.036 (3)	0.028 (2)	0.051 (3)	0.009 (2)	0.002 (2)	−0.013 (2)
C25	0.034 (3)	0.032 (3)	0.023 (2)	−0.001 (2)	0.008 (2)	0.000 (2)
N1	0.024 (2)	0.060 (3)	0.045 (3)	0.006 (2)	0.006 (2)	−0.022 (3)
N3	0.059 (3)	0.039 (3)	0.048 (3)	0.015 (2)	0.032 (3)	0.008 (2)
N4	0.044 (3)	0.039 (3)	0.034 (3)	−0.003 (2)	−0.006 (2)	0.001 (2)
C34	0.036 (3)	0.045 (3)	0.031 (3)	−0.007 (3)	0.003 (2)	0.000 (2)
C28	0.036 (3)	0.030 (3)	0.037 (3)	0.004 (2)	0.004 (2)	−0.007 (2)
C29	0.046 (3)	0.047 (4)	0.049 (4)	−0.008 (3)	0.025 (3)	−0.023 (3)
C35	0.123 (8)	0.056 (5)	0.034 (4)	−0.015 (5)	0.013 (4)	−0.010 (3)
C36	0.095 (6)	0.046 (4)	0.038 (4)	−0.001 (4)	0.013 (4)	0.004 (3)
C27	0.060 (5)	0.054 (4)	0.052 (4)	0.004 (3)	−0.021 (4)	−0.013 (3)
N6	0.053 (3)	0.047 (3)	0.041 (3)	−0.011 (3)	0.019 (2)	0.001 (2)
C7	0.029 (2)	0.026 (2)	0.020 (2)	−0.0021 (19)	0.0110 (19)	−0.0025 (18)
C15	0.026 (2)	0.028 (2)	0.025 (2)	0.0047 (19)	0.014 (2)	0.0065 (19)
C31	0.043 (3)	0.041 (3)	0.038 (3)	−0.015 (3)	0.014 (3)	−0.008 (3)
C33	0.082 (6)	0.066 (5)	0.088 (6)	0.012 (4)	0.052 (5)	0.006 (5)
C32	0.085 (6)	0.041 (4)	0.051 (4)	−0.017 (4)	0.024 (4)	0.001 (3)
C8	0.018 (2)	0.028 (2)	0.020 (2)	0.0019 (18)	0.0075 (17)	−0.0016 (18)
C10	0.024 (2)	0.025 (2)	0.025 (2)	−0.0006 (18)	0.0117 (19)	−0.0030 (18)
C6	0.023 (2)	0.028 (2)	0.016 (2)	0.0001 (19)	0.0055 (17)	−0.0035 (18)
C2	0.023 (2)	0.028 (2)	0.015 (2)	0.0086 (19)	0.0057 (17)	−0.0006 (17)
C5	0.018 (2)	0.034 (3)	0.022 (2)	0.0002 (19)	0.0067 (18)	−0.0021 (19)
C18	0.025 (2)	0.024 (2)	0.019 (2)	0.0005 (18)	0.0105 (18)	−0.0001 (18)
C13	0.022 (2)	0.034 (3)	0.026 (2)	0.0029 (19)	0.0122 (19)	0.002 (2)
C14	0.026 (2)	0.027 (2)	0.022 (2)	0.0006 (19)	0.0122 (19)	0.0021 (19)
C22	0.030 (2)	0.028 (2)	0.019 (2)	0.002 (2)	0.0122 (19)	−0.0001 (18)
C3	0.025 (2)	0.029 (3)	0.027 (2)	0.004 (2)	0.006 (2)	−0.007 (2)
C4	0.019 (2)	0.037 (3)	0.027 (2)	0.003 (2)	0.0088 (19)	−0.005 (2)
C19	0.037 (3)	0.025 (2)	0.026 (2)	0.011 (2)	0.018 (2)	0.0034 (19)
C24	0.023 (2)	0.023 (2)	0.024 (2)	0.0023 (18)	0.0090 (18)	0.0009 (18)
C20	0.047 (3)	0.025 (3)	0.034 (3)	0.011 (2)	0.024 (2)	0.005 (2)
C21	0.043 (3)	0.029 (3)	0.028 (3)	0.006 (2)	0.019 (2)	0.007 (2)
C11	0.029 (3)	0.032 (3)	0.025 (2)	0.000 (2)	0.013 (2)	0.005 (2)
C12	0.026 (2)	0.034 (3)	0.032 (3)	0.007 (2)	0.010 (2)	0.007 (2)
C16	0.022 (2)	0.031 (3)	0.020 (2)	0.0022 (19)	0.0090 (18)	0.0028 (19)
O22	0.0263 (18)	0.048 (2)	0.0253 (18)	0.0045 (16)	0.0033 (15)	−0.0060 (16)
O1	0.0177 (16)	0.0325 (18)	0.0260 (17)	−0.0023 (14)	0.0093 (13)	−0.0064 (14)
O9	0.054 (3)	0.065 (3)	0.062 (3)	0.018 (2)	0.023 (2)	0.036 (3)
O10	0.039 (3)	0.087 (4)	0.075 (4)	0.025 (2)	0.027 (2)	0.036 (3)
O16	0.067 (3)	0.039 (2)	0.068 (3)	0.007 (2)	0.026 (3)	0.018 (2)

Geometric parameters (Å, º)

Gd1—O2^i	2.386 (3)	N7—C34	1.305 (7)
Gd1—O7	2.391 (3)	N7—C35	1.439 (8)
Gd1—O14	2.405 (3)	N7—C36	1.458 (8)
Gd1—O1	2.417 (3)	N5—C28	1.316 (7)
Gd1—O20	2.422 (3)	N5—C29	1.451 (8)
Gd1—O19	2.443 (4)	N5—C30	1.456 (11)
Gd1—O8	2.506 (3)	C25—N4	1.317 (7)
Gd2—O12^i	2.247 (4)	N1—O3B	1.203 (11)
Gd2—O6^ii	2.303 (3)	N1—O4	1.229 (7)
Gd2—O21	2.396 (4)	N1—O3A	1.280 (11)
Gd2—O22	2.407 (4)	N1—C4	1.481 (6)
Gd2—O5^iii	2.409 (3)	N3—O16	1.211 (7)
Gd2—O11^iv	2.442 (3)	N3—O15	1.227 (7)
Gd2—O17	2.444 (3)	N3—C20	1.470 (7)
Gd2—O18	2.477 (3)	N4—C26	1.453 (10)
O21—C31	1.235 (7)	N4—C27	1.459 (8)
O8—C9	1.258 (6)	C34—O22	1.240 (7)
O7—C9	1.265 (6)	N6—C31	1.331 (8)
O17—C23	1.263 (6)	N6—C33	1.434 (9)
O14—C17	1.265 (5)	N6—C32	1.449 (8)
O13—C17	1.253 (6)	C7—C6	1.514 (6)
O2—C1	1.256 (6)	C15—C14	1.507 (6)
O2—Gd1^i	2.386 (3)	C8—C6	1.393 (6)
O12—C15	1.249 (6)	C8—C2	1.403 (6)
O12—Gd2^i	2.247 (4)	C10—C11	1.381 (7)
O11—C15	1.254 (6)	C10—C16	1.394 (7)
O11—Gd2^v	2.442 (3)	C6—C5	1.387 (6)
O6—C7	1.246 (6)	C2—C3	1.408 (6)
O6—Gd2^vi	2.303 (3)	C5—C4	1.378 (7)
O19—C25	1.231 (6)	C18—C19	1.388 (7)
O18—C23	1.255 (6)	C18—C24	1.393 (6)
O5—C7	1.249 (6)	C13—C12	1.379 (7)
O5—Gd2^iii	2.409 (3)	C13—C14	1.394 (7)
C17—C18	1.511 (6)	C14—C16	1.384 (6)
C1—O1	1.255 (6)	C22—C21	1.372 (7)
C1—C2	1.498 (6)	C22—C24	1.397 (6)
C9—C10	1.503 (6)	C3—C4	1.391 (7)
O20—C28	1.230 (6)	C19—C20	1.375 (7)
N2—O10	1.224 (7)	C20—C21	1.380 (7)
N2—O9	1.237 (6)	C11—C12	1.384 (7)
N2—C12	1.440 (7)	O27—O27^iii	1.39 (3)
C23—C22	1.504 (6)
O2^i—Gd1—O7	77.74 (12)	O9—N2—C12	119.0 (5)
O2^i—Gd1—O14	81.98 (12)	O18—C23—O17	122.6 (4)
O7—Gd1—O14	131.44 (11)	O18—C23—C22	119.0 (4)
O2^i—Gd1—O1	131.14 (11)	O17—C23—C22	118.4 (4)
O7—Gd1—O1	143.83 (12)	C34—N7—C35	123.1 (6)
O14—Gd1—O1	80.09 (12)	C34—N7—C36	119.9 (5)
O2^i—Gd1—O20	138.88 (11)	C35—N7—C36	116.7 (5)
O7—Gd1—O20	90.36 (12)	C28—N5—C29	122.5 (5)
O14—Gd1—O20	76.94 (11)	C28—N5—C30	122.1 (6)
O1—Gd1—O20	79.29 (11)	C29—N5—C30	115.4 (6)
O2^i—Gd1—O19	135.76 (12)	O19—C25—N4	123.6 (5)
O7—Gd1—O19	71.15 (12)	O3B—N1—O4	118.8 (7)
O14—Gd1—O19	142.24 (12)	O4—N1—O3A	123.7 (6)
O1—Gd1—O19	72.68 (12)	O3B—N1—C4	119.9 (6)
O20—Gd1—O19	72.74 (12)	O4—N1—C4	118.8 (5)
O2^i—Gd1—O8	69.75 (11)	O3A—N1—C4	116.3 (6)
O7—Gd1—O8	53.61 (11)	O16—N3—O15	122.9 (6)
O14—Gd1—O8	78.04 (11)	O16—N3—C20	119.7 (5)
O1—Gd1—O8	146.72 (11)	O15—N3—C20	117.4 (5)
O20—Gd1—O8	71.55 (12)	C25—N4—C26	120.6 (6)
O19—Gd1—O8	112.08 (12)	C25—N4—C27	121.9 (5)
O12^i—Gd2—O6^ii	110.31 (13)	C26—N4—C27	117.4 (6)
O12^i—Gd2—O21	83.36 (15)	O22—C34—N7	125.3 (6)
O6^ii—Gd2—O21	145.32 (14)	O20—C28—N5	125.0 (5)
O12^i—Gd2—O22	147.81 (14)	C31—N6—C33	119.7 (6)
O6^ii—Gd2—O22	75.88 (13)	C31—N6—C32	121.1 (6)
O21—Gd2—O22	76.57 (15)	C33—N6—C32	119.2 (6)
O12^i—Gd2—O5^iii	77.47 (15)	O6—C7—O5	126.1 (5)
O6^ii—Gd2—O5^iii	73.27 (14)	O6—C7—C6	116.3 (4)
O21—Gd2—O5^iii	141.38 (14)	O5—C7—C6	117.6 (4)
O22—Gd2—O5^iii	132.78 (14)	O12—C15—O11	125.0 (4)
O12^i—Gd2—O11^iv	77.64 (14)	O12—C15—C14	116.1 (4)
O6^ii—Gd2—O11^iv	79.28 (13)	O11—C15—C14	118.8 (4)
O21—Gd2—O11^iv	72.64 (14)	O21—C31—N6	123.9 (6)
O22—Gd2—O11^iv	72.51 (13)	C6—C8—C2	121.6 (4)
O5^iii—Gd2—O11^iv	133.25 (12)	C11—C10—C16	120.4 (4)
O12^i—Gd2—O17	128.61 (12)	C11—C10—C9	120.2 (4)
O6^ii—Gd2—O17	101.64 (12)	C16—C10—C9	119.4 (4)
O21—Gd2—O17	92.65 (14)	C5—C6—C8	120.2 (4)
O22—Gd2—O17	77.78 (12)	C5—C6—C7	118.6 (4)
O5^iii—Gd2—O17	74.52 (12)	C8—C6—C7	121.2 (4)
O11^iv—Gd2—O17	149.13 (12)	C8—C2—C3	118.2 (4)
O12^i—Gd2—O18	77.92 (12)	C8—C2—C1	121.7 (4)
O6^ii—Gd2—O18	143.16 (14)	C3—C2—C1	120.1 (4)
O21—Gd2—O18	69.49 (15)	C4—C5—C6	117.9 (4)
O22—Gd2—O18	116.84 (13)	C19—C18—C24	119.8 (4)
O5^iii—Gd2—O18	73.84 (14)	C19—C18—C17	118.8 (4)
O11^iv—Gd2—O18	136.71 (13)	C24—C18—C17	121.3 (4)
O17—Gd2—O18	53.33 (11)	C12—C13—C14	118.0 (4)
C31—O21—Gd2	138.2 (4)	C16—C14—C13	120.2 (4)
C9—O8—Gd1	89.3 (3)	C16—C14—C15	119.1 (4)
C9—O7—Gd1	94.5 (3)	C13—C14—C15	120.7 (4)
C23—O17—Gd2	92.7 (3)	C21—C22—C24	120.7 (4)
C17—O14—Gd1	107.0 (3)	C21—C22—C23	118.8 (4)
C1—O2—Gd1^i	142.4 (3)	C24—C22—C23	120.4 (4)
C15—O12—Gd2^i	164.4 (4)	C4—C3—C2	118.4 (4)
C15—O11—Gd2^v	126.1 (3)	C5—C4—C3	123.6 (4)
C7—O6—Gd2^vi	154.5 (3)	C5—C4—N1	117.4 (4)
C25—O19—Gd1	128.8 (3)	C3—C4—N1	119.0 (4)
C23—O18—Gd2	91.4 (3)	C20—C19—C18	118.3 (4)
C7—O5—Gd2^iii	135.1 (3)	C18—C24—C22	119.8 (4)
O13—C17—O14	122.8 (4)	C19—C20—C21	123.2 (5)
O13—C17—C18	119.8 (4)	C19—C20—N3	119.7 (4)
O14—C17—C18	117.3 (4)	C21—C20—N3	117.1 (5)
O1—C1—O2	126.6 (4)	C22—C21—C20	118.0 (5)
O1—C1—C2	117.4 (4)	C10—C11—C12	118.1 (5)
O2—C1—C2	116.0 (4)	C13—C12—C11	123.0 (5)
O8—C9—O7	122.4 (4)	C13—C12—N2	118.4 (5)
O8—C9—C10	118.9 (4)	C11—C12—N2	118.5 (5)
O7—C9—C10	118.7 (4)	C14—C16—C10	120.2 (4)
C28—O20—Gd1	126.1 (3)	C34—O22—Gd2	124.2 (4)
O10—N2—O9	122.4 (5)	C1—O1—Gd1	133.7 (3)
O10—N2—C12	118.5 (5)

Symmetry codes: (i) −x+1/2, −y+3/2, −z; (ii) x, −y+2, z−1/2; (iii) −x+1, −y+2, −z; (iv) x+1/2, −y+3/2, z−1/2; (v) x−1/2, −y+3/2, z+1/2; (vi) x, −y+2, z+1/2.

(III)

Crystal data

C76.50H92.50Gd4N15.50O49.50	Z = 2
Mr = 2650.16	F(000) = 2624
Triclinic, P1	Dx = 1.768 Mg m^−3
a = 14.3239 (17) Å	Mo Kα radiation, λ = 0.71073 Å
b = 15.3167 (18) Å	Cell parameters from 24969 reflections
c = 25.468 (3) Å	θ = 1.6–28.5°
α = 87.994 (2)°	µ = 2.73 mm^−1
β = 85.151 (2)°	T = 173 K
γ = 63.419 (2)°	Irregular blocks, pale yellow
V = 4979.1 (10) Å^3	0.43 × 0.28 × 0.18 mm

Data collection

Bruker Kappa Apex II Duo diffractometer	24969 independent reflections
Radiation source: fine-focus sealed tube	21945 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.034
Detector resolution: 0 pixels mm^-1	θmax = 28.5°, θmin = 1.6°
phi– and ω–scans of 0.5 deg.	h = −19→19
Absorption correction: multi-scan program SADABS	k = −20→20
Tmin = 0.390, Tmax = 0.636	l = −34→34
190792 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)] = 0.048	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.122	H-atom parameters constrained
S = 1.13	w = 1/[σ^2(Fo^2) + (0.0346P)^2 + 59.474P] where P = (Fo^2 + 2Fc^2)/3
24969 reflections	(Δ/σ)max = 0.001
1303 parameters	Δρmax = 6.05 e Å^−3
17 restraints	Δρmin = −2.35 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)
Gd3	0.460178 (19)	0.242885 (19)	0.322995 (10)	0.01380 (6)
Gd2	0.544816 (19)	0.148962 (19)	0.152588 (10)	0.01379 (6)
Gd1	0.170232 (18)	0.454655 (18)	−0.017296 (9)	0.01278 (6)
Gd4	0.153421 (19)	−0.07130 (2)	0.475235 (10)	0.01591 (6)
O44	0.2635 (4)	0.0106 (4)	0.4922 (2)	0.0326 (10)
O38	0.2624 (3)	0.4855 (4)	0.04942 (17)	0.0275 (9)
O12	0.3747 (3)	0.2727 (3)	0.17940 (17)	0.0232 (8)
O20	0.4861 (3)	0.0616 (3)	0.21087 (18)	0.0270 (9)
C8	0.3638 (4)	0.5664 (4)	−0.1608 (2)	0.0158 (10)
H8	0.3546	0.6047	−0.1305	0.019*
O43	0.5823 (4)	0.2740 (4)	0.37005 (18)	0.0301 (10)
O29	−0.1341 (3)	0.2179 (3)	0.50211 (19)	0.0275 (9)
O40	0.5119 (4)	0.2446 (4)	0.06903 (18)	0.0317 (10)
O41	0.5066 (3)	0.1241 (3)	0.39303 (17)	0.0283 (10)
H41A	0.4591	0.1437	0.4177	0.034*
O23	0.2608 (4)	−0.1705 (4)	0.3908 (2)	0.0338 (11)
O5	0.4613 (3)	0.6900 (3)	−0.25758 (17)	0.0263 (9)
O25	0.3221 (3)	0.1347 (3)	0.41990 (19)	0.0301 (10)
O42	0.3795 (4)	0.4132 (3)	0.3503 (2)	0.0304 (10)
O31	0.3789 (3)	−0.1153 (3)	0.70463 (17)	0.0259 (9)
O24	0.2112 (4)	−0.0124 (4)	0.39733 (18)	0.0344 (11)
O33A	−0.053 (3)	0.149 (3)	0.8257 (5)	0.052 (10)	0.50
O13	0.6614 (3)	−0.0155 (3)	0.11162 (18)	0.0253 (9)
O7	0.0838 (3)	0.4370 (3)	0.05924 (16)	0.0244 (9)
O19	0.4185 (4)	0.1229 (3)	0.29070 (18)	0.0298 (10)
O50	0.3830 (4)	0.1716 (4)	0.9228 (2)	0.0445 (13)
O28	−0.1636 (4)	0.5445 (4)	0.4671 (3)	0.0488 (15)
O32	0.3201 (3)	−0.0764 (3)	0.78837 (16)	0.0212 (8)
O22	0.3978 (4)	−0.3024 (4)	0.2076 (2)	0.0446 (14)
O27	−0.0284 (4)	0.5641 (3)	0.4396 (2)	0.0335 (11)
O3	0.4020 (4)	0.3182 (4)	−0.2874 (2)	0.0382 (12)
O16B	1.1844 (6)	−0.1347 (7)	0.0198 (4)	0.030 (2)*	0.50
O10B	−0.0235 (8)	0.4940 (8)	0.3332 (4)	0.027 (2)*	0.50
O15A	1.0850 (7)	0.0041 (5)	0.0519 (4)	0.0256 (19)*	0.50
O11	0.3339 (3)	0.3226 (4)	0.26343 (17)	0.0284 (10)
O34B	−0.1565 (5)	0.1898 (8)	0.7663 (4)	0.032 (3)*	0.50
O21	0.4698 (6)	−0.2314 (5)	0.1563 (2)	0.0567 (17)
O4	0.4111 (7)	0.4300 (5)	−0.3376 (2)	0.062 (2)
O9	−0.1515 (4)	0.5282 (5)	0.2813 (2)	0.0435 (14)
O6	0.4186 (3)	0.7200 (3)	−0.17047 (16)	0.0219 (8)
O2	0.2901 (3)	0.3857 (3)	−0.09908 (16)	0.0217 (8)
O18	0.8947 (3)	−0.3454 (3)	0.03910 (17)	0.0210 (8)
O14	0.7153 (3)	0.0987 (3)	0.10131 (16)	0.0220 (8)
O17	1.0587 (3)	−0.3822 (3)	0.00747 (17)	0.0215 (8)
O8	−0.0780 (3)	0.4758 (3)	0.09300 (16)	0.0224 (8)
O35	−0.0369 (3)	0.0679 (3)	0.58757 (16)	0.0252 (9)
O1	0.2737 (3)	0.5238 (3)	−0.06691 (15)	0.0216 (8)
O26	0.3021 (3)	0.2721 (3)	0.37755 (17)	0.0226 (8)
O36	0.1322 (3)	−0.0340 (3)	0.56695 (16)	0.0244 (9)
O45	0.3159 (4)	−0.1933 (4)	0.4988 (2)	0.0338 (11)
N2	−0.0594 (4)	0.4887 (4)	0.2895 (2)	0.0296 (12)
N1	0.4006 (5)	0.3976 (4)	−0.2941 (2)	0.0317 (12)
O30	0.0141 (3)	0.0888 (3)	0.47889 (16)	0.0223 (8)
N16	0.8709 (4)	0.2367 (4)	0.1561 (2)	0.0295 (11)*
N9	0.5775 (4)	0.3124 (4)	0.0052 (2)	0.0283 (11)
O37	0.3036 (4)	0.2946 (3)	0.01005 (19)	0.0320 (10)
C48	0.1808 (4)	−0.0194 (4)	0.6701 (2)	0.0183 (10)
H48	0.2369	−0.0586	0.6457	0.022*
C1	0.2995 (4)	0.4631 (4)	−0.1038 (2)	0.0173 (10)
C2	0.3404 (4)	0.4873 (4)	−0.1562 (2)	0.0160 (10)
C47	0.0562 (4)	0.0211 (4)	0.5978 (2)	0.0196 (11)
C10	0.0554 (4)	0.4312 (4)	0.1513 (2)	0.0166 (10)
C34	0.1536 (4)	0.2676 (4)	0.4236 (2)	0.0197 (11)
C13	0.1237 (4)	0.4060 (4)	0.2521 (2)	0.0208 (11)
H13	0.1464	0.3991	0.2867	0.025*
C20	1.0179 (5)	−0.1092 (5)	0.0525 (3)	0.0298 (14)
C78	0.8736 (6)	0.2270 (6)	0.0991 (3)	0.0392 (16)*
H78A	0.9459	0.1869	0.0851	0.059*
H78B	0.8471	0.2918	0.0829	0.059*
H78C	0.8298	0.1959	0.0911	0.059*
C63	0.6648 (7)	0.3774 (6)	0.4214 (3)	0.0433 (18)
H63A	0.7090	0.4070	0.4312	0.065*
H63B	0.6615	0.3331	0.4494	0.065*
H63C	0.5941	0.4288	0.4166	0.065*
N6	−0.0659 (3)	0.1574 (4)	0.7784 (2)	0.0327 (13)
N15	0.6810 (7)	0.8065 (7)	0.3875 (3)	0.063 (2)
C66	0.4853 (10)	−0.3523 (9)	0.4581 (5)	0.083 (4)
H66A	0.5544	−0.3896	0.4397	0.125*
H66B	0.4343	−0.3168	0.4323	0.125*
H66C	0.4638	−0.3970	0.4780	0.125*
C39	−0.0415 (5)	0.1802 (4)	0.4822 (2)	0.0210 (11)
C68	0.2875 (8)	0.1636 (7)	0.7612 (5)	0.069 (3)
H68A	0.3269	0.1568	0.7921	0.103*
H68B	0.3198	0.1836	0.7308	0.103*
H68C	0.2884	0.1010	0.7537	0.103*
O46	0.0195 (6)	0.3214 (6)	0.7433 (4)	0.074 (2)
C62	0.8050 (8)	0.3206 (10)	0.3492 (4)	0.067 (3)
H62A	0.8622	0.2822	0.3714	0.101*
H62B	0.7979	0.3872	0.3458	0.101*
H62C	0.8203	0.2903	0.3143	0.101*
C22	0.9532 (4)	−0.2254 (4)	0.0422 (2)	0.0170 (10)
C24	0.8545 (4)	−0.1555 (4)	0.0612 (2)	0.0181 (10)
H24	0.7973	−0.1714	0.0641	0.022*
C61	0.6641 (5)	0.2761 (5)	0.3513 (2)	0.0254 (12)
H61	0.6967	0.2415	0.3194	0.031*
N10	0.2516 (5)	0.5666 (5)	0.3625 (4)	0.0521 (19)
C5	0.4109 (5)	0.5352 (4)	−0.2532 (2)	0.0221 (11)
H5	0.4343	0.5509	−0.2865	0.027*
C21	1.0364 (4)	−0.2016 (4)	0.0375 (2)	0.0229 (12)
H21	1.1042	−0.2477	0.0243	0.027*
C77A	0.885 (3)	0.145 (3)	0.1828 (14)	0.032 (8)*	0.198 (12)
H77A	0.8807	0.1535	0.2211	0.048*	0.198 (12)
H77B	0.9544	0.0926	0.1714	0.048*	0.198 (12)
H77C	0.8309	0.1271	0.1737	0.048*	0.198 (12)
C56	0.6401 (7)	0.3648 (6)	−0.0080 (3)	0.0444 (19)
H56A	0.6371	0.3817	−0.0455	0.067*
H56B	0.7129	0.3231	−0.0006	0.067*
H56C	0.6123	0.4245	0.0132	0.067*
C32	0.3499 (4)	−0.0190 (4)	0.3120 (2)	0.0203 (11)
H32	0.3326	0.0305	0.3377	0.024*
C27	0.4276 (4)	−0.0877 (4)	0.2262 (2)	0.0215 (11)
H27	0.4637	−0.0861	0.1934	0.026*
C65	0.5910 (7)	−0.3033 (10)	0.5138 (4)	0.078 (4)
H65A	0.6339	−0.2884	0.4863	0.117*
H65B	0.6277	−0.3721	0.5237	0.117*
H65C	0.5782	−0.2620	0.5447	0.117*
C75	0.5694 (9)	0.8542 (11)	0.3764 (6)	0.092 (5)
H75A	0.5511	0.8061	0.3617	0.138*
H75B	0.5573	0.9070	0.3510	0.138*
H75C	0.5260	0.8810	0.4092	0.138*
C67	0.1098 (8)	0.2611 (7)	0.7370 (4)	0.054 (2)
H67	0.1318	0.2283	0.7040	0.065*
C7	0.4290 (4)	0.6739 (4)	−0.2128 (2)	0.0183 (10)
C12	0.0186 (4)	0.4520 (4)	0.2439 (2)	0.0206 (11)
N3	1.1054 (4)	−0.0828 (4)	0.0481 (3)	0.054 (2)
O48	0.6747 (5)	0.9474 (5)	0.4165 (3)	0.0488 (14)
C58	0.2908 (6)	0.4768 (6)	0.3484 (4)	0.0429 (18)
H58	0.2434	0.4574	0.3345	0.052*
C64	0.4034 (5)	−0.2101 (5)	0.5111 (3)	0.0300 (14)
H64	0.4084	−0.1663	0.5349	0.036*
O49B	0.8151 (5)	0.2039 (5)	0.2376 (3)	0.0417 (19)*	0.802 (12)
C74	0.7396 (9)	0.7046 (7)	0.3737 (4)	0.061 (3)
H74A	0.6931	0.6815	0.3595	0.092*
H74B	0.7689	0.6668	0.4052	0.092*
H74C	0.7965	0.6961	0.3471	0.092*
N5	−0.0707 (4)	0.5123 (4)	0.4510 (2)	0.0302 (12)
C36	−0.0092 (4)	0.4065 (4)	0.4470 (2)	0.0212 (11)
C18	0.8383 (4)	−0.0629 (4)	0.0761 (2)	0.0198 (11)
C25	0.4378 (4)	0.0631 (4)	0.2548 (2)	0.0192 (10)
C69	0.1507 (11)	0.2811 (9)	0.8229 (4)	0.077 (3)
H69A	0.2114	0.2558	0.8441	0.115*
H69B	0.0958	0.2662	0.8404	0.115*
H69C	0.1238	0.3519	0.8192	0.115*
N13	0.1813 (6)	0.2362 (5)	0.7719 (3)	0.0437 (15)
C40	0.1068 (5)	0.2076 (4)	0.4400 (2)	0.0225 (11)
H40	0.1459	0.1389	0.4363	0.027*
C41	0.3090 (4)	−0.0734 (4)	0.7403 (2)	0.0183 (10)
C16	0.1618 (4)	0.3839 (4)	0.1582 (2)	0.0157 (10)
H16	0.2111	0.3614	0.1284	0.019*
C11	−0.0177 (4)	0.4657 (4)	0.1943 (2)	0.0177 (10)
H11	−0.0906	0.4978	0.1898	0.021*
C42	0.2001 (4)	−0.0138 (4)	0.7226 (2)	0.0175 (10)
C55	0.5691 (6)	0.2822 (6)	0.0527 (3)	0.0342 (15)
H55	0.6111	0.2897	0.0774	0.041*
C15	0.3111 (4)	0.3176 (4)	0.2175 (2)	0.0183 (10)
C45	−0.0011 (4)	0.0909 (4)	0.6891 (2)	0.0215 (11)
H45	−0.0701	0.1272	0.6784	0.026*
C30	0.3198 (4)	−0.0931 (4)	0.3217 (2)	0.0195 (11)
C76A	0.886 (3)	0.309 (3)	0.1818 (16)	0.023 (8)*	0.198 (12)
H76D	0.8987	0.3562	0.1614	0.028*	0.198 (12)
C19	0.9205 (5)	−0.0390 (4)	0.0712 (3)	0.0262 (13)
H19	0.9106	0.0242	0.0805	0.031*
C26	0.4056 (4)	−0.0176 (4)	0.2645 (2)	0.0167 (10)
N11	0.7085 (5)	0.3236 (5)	0.3731 (2)	0.0317 (12)
C37	−0.0546 (5)	0.3473 (4)	0.4655 (2)	0.0218 (11)
H37	−0.1248	0.3750	0.4804	0.026*
C31	0.2605 (4)	−0.0937 (5)	0.3739 (2)	0.0222 (11)
C35	0.0946 (4)	0.3679 (4)	0.4267 (2)	0.0200 (11)
H35	0.1247	0.4099	0.4150	0.024*
C4	0.3870 (5)	0.4576 (5)	−0.2478 (2)	0.0238 (12)
C17	0.7313 (4)	0.0114 (4)	0.0975 (2)	0.0181 (10)
C9	0.0177 (4)	0.4489 (4)	0.0972 (2)	0.0161 (10)
C29	0.3441 (4)	−0.1656 (4)	0.2847 (2)	0.0225 (11)
H29	0.3259	−0.2176	0.2918	0.027*
C44	0.0202 (4)	0.0957 (4)	0.7405 (2)	0.0215 (11)
C23	0.9701 (4)	−0.3260 (4)	0.0283 (2)	0.0172 (10)
C6	0.4001 (4)	0.5904 (4)	−0.2085 (2)	0.0181 (10)
C46	0.0801 (4)	0.0320 (4)	0.6531 (2)	0.0185 (10)
N4	0.4211 (5)	−0.2362 (4)	0.1974 (2)	0.0331 (13)
C14	0.1961 (4)	0.3696 (4)	0.2085 (2)	0.0175 (10)
C43	0.1190 (4)	0.0437 (4)	0.7582 (2)	0.0211 (11)
H43	0.1308	0.0474	0.7941	0.025*
C3	0.3519 (4)	0.4320 (4)	−0.2001 (2)	0.0204 (11)
H3	0.3363	0.3779	−0.1976	0.024*
C28	0.3959 (5)	−0.1604 (4)	0.2368 (2)	0.0213 (11)
N12	0.4902 (5)	−0.2843 (5)	0.4935 (3)	0.0442 (17)
C38	0.0043 (5)	0.2465 (5)	0.4618 (2)	0.0213 (11)
C33	0.2688 (4)	0.2206 (4)	0.4050 (2)	0.0211 (11)
C73	0.7235 (8)	0.8531 (8)	0.4063 (4)	0.056 (2)
H73	0.7949	0.8184	0.4137	0.068*
C57B	0.5453 (13)	0.2766 (13)	−0.0404 (6)	0.037 (3)*	0.50
H57A	0.5569	0.3081	−0.0728	0.056*	0.50
H57B	0.4709	0.2925	−0.0347	0.056*	0.50
H57C	0.5869	0.2057	−0.0438	0.056*	0.50
C60	0.1425 (9)	0.6386 (8)	0.3601 (6)	0.087 (4)
H60A	0.1334	0.7018	0.3728	0.130*
H60B	0.0973	0.6172	0.3822	0.130*
H60C	0.1235	0.6451	0.3236	0.130*
O49A	0.883 (2)	0.312 (2)	0.2284 (10)	0.035 (7)*	0.198 (12)
C57A	0.5066 (11)	0.3248 (13)	−0.0347 (5)	0.041 (3)*	0.50
H57D	0.5285	0.3493	−0.0671	0.062*	0.50
H57E	0.4355	0.3717	−0.0222	0.062*	0.50
H57F	0.5077	0.2619	−0.0418	0.062*	0.50
O10A	−0.0339 (8)	0.4636 (8)	0.3331 (4)	0.033 (2)*	0.50
O34A	−0.1481 (6)	0.2147 (7)	0.7595 (4)	0.027 (2)*	0.50
O15B	1.0922 (10)	−0.0119 (7)	0.0749 (5)	0.047 (3)*	0.50
O16A	1.1941 (5)	−0.1508 (6)	0.0414 (5)	0.035 (2)*	0.50
O33B	−0.041 (3)	0.164 (2)	0.8226 (7)	0.039 (7)	0.50
N7	0.2700 (5)	0.5402 (4)	0.1296 (2)	0.0305 (12)
C49A	0.2195 (7)	0.5371 (6)	0.0904 (3)	0.0219 (19)*	0.685 (12)
H49A	0.1458	0.5760	0.0925	0.026*	0.685 (12)
C50A	0.3831 (9)	0.4883 (9)	0.1300 (5)	0.039 (3)*	0.685 (12)
H50A	0.4045	0.5008	0.1633	0.058*	0.685 (12)
H50B	0.4154	0.5108	0.1006	0.058*	0.685 (12)
H50C	0.4057	0.4181	0.1262	0.058*	0.685 (12)
C51A	0.2162 (11)	0.5987 (10)	0.1771 (5)	0.049 (3)*	0.685 (12)
H51A	0.2679	0.5913	0.2020	0.074*	0.685 (12)
H51B	0.1665	0.5763	0.1936	0.074*	0.685 (12)
H51C	0.1784	0.6676	0.1674	0.074*	0.685 (12)
C49B	0.3095 (15)	0.4704 (14)	0.0885 (8)	0.024 (4)*	0.315 (12)
H49B	0.3725	0.4122	0.0916	0.028*	0.315 (12)
C51B	0.328 (2)	0.523 (2)	0.1759 (11)	0.050 (7)*	0.315 (12)
H51D	0.2905	0.5771	0.2007	0.075*	0.315 (12)
H51E	0.3977	0.5171	0.1656	0.075*	0.315 (12)
H51F	0.3341	0.4619	0.1927	0.075*	0.315 (12)
C50B	0.166 (2)	0.616 (2)	0.1303 (13)	0.057 (8)*	0.315 (12)
H50D	0.1513	0.6572	0.1613	0.085*	0.315 (12)
H50E	0.1170	0.5867	0.1319	0.085*	0.315 (12)
H50F	0.1578	0.6548	0.0983	0.085*	0.315 (12)
O39	0.4412 (4)	0.1046 (5)	0.1014 (3)	0.0096 (12)*	0.50
C59A	0.3097 (16)	0.5880 (17)	0.4000 (7)	0.087 (8)*	0.60 (2)
H59A	0.2747	0.6579	0.4083	0.130*	0.60 (2)
H59B	0.3810	0.5700	0.3847	0.130*	0.60 (2)
H59C	0.3124	0.5506	0.4323	0.130*	0.60 (2)
C77B	0.8233 (7)	0.1953 (6)	0.1897 (3)	0.0279 (18)*	0.802 (12)
H77D	0.7947	0.1573	0.1750	0.033*	0.802 (12)
C76B	0.9119 (11)	0.2961 (10)	0.1752 (5)	0.040 (3)*	0.802 (12)
H76A	0.8940	0.3057	0.2132	0.060*	0.802 (12)
H76B	0.8823	0.3595	0.1574	0.060*	0.802 (12)
H76C	0.9883	0.2646	0.1683	0.060*	0.802 (12)
N14	1.1143 (7)	0.1189 (7)	0.2589 (4)	0.065 (2)*
O47	1.2049 (9)	0.1641 (9)	0.2102 (5)	0.113 (3)*
C72	1.1172 (14)	0.0383 (13)	0.2269 (7)	0.113 (5)*
H72A	1.0712	0.0127	0.2446	0.170*
H72B	1.1890	−0.0140	0.2230	0.170*
H72C	1.0934	0.0630	0.1920	0.170*
C59B	0.317 (3)	0.613 (3)	0.3379 (16)	0.097 (13)*	0.40 (2)
H59D	0.2856	0.6813	0.3486	0.145*	0.40 (2)
H59E	0.3191	0.6084	0.2994	0.145*	0.40 (2)
H59F	0.3877	0.5785	0.3494	0.145*	0.40 (2)
C70	1.1534 (13)	0.1667 (13)	0.2540 (7)	0.107 (5)*
H70	1.1488	0.2088	0.2817	0.129*
H41B	0.5572	0.0661	0.3936	0.023 (18)*
C71	1.0497 (15)	0.1231 (16)	0.3091 (6)	0.153 (8)*
H71A	1.0571	0.1659	0.3344	0.230*
H71B	1.0737	0.0573	0.3239	0.230*
H71C	0.9760	0.1487	0.3018	0.230*
H50	0.3810	0.1270	0.9085	0.04 (3)*
N8	0.2959 (6)	0.0955 (7)	0.0786 (4)	0.038 (3)	0.50
C53	0.1829 (6)	0.1517 (12)	0.0776 (6)	0.049 (4)	0.50
H53A	0.1500	0.1589	0.1135	0.073*	0.50
H53B	0.1562	0.1176	0.0558	0.073*	0.50
H53C	0.1665	0.2163	0.0627	0.073*	0.50
C54	0.3480 (11)	0.0119 (13)	0.0437 (9)	0.074 (7)	0.50
H54A	0.3362	−0.0426	0.0584	0.112*	0.50
H54B	0.4233	−0.0071	0.0401	0.112*	0.50
H54C	0.3199	0.0290	0.0091	0.112*	0.50
C52	0.3503 (5)	0.1278 (8)	0.1067 (4)	0.025 (3)	0.50
H52	0.3113	0.1744	0.1336	0.030*	0.50
H44A	0.2777	0.0244	0.5248	0.030*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Gd3	0.01103 (11)	0.01956 (13)	0.01118 (11)	−0.00729 (9)	−0.00005 (8)	0.00019 (9)
Gd2	0.01243 (11)	0.01828 (12)	0.01083 (11)	−0.00720 (10)	0.00062 (8)	−0.00079 (9)
Gd1	0.01079 (11)	0.01546 (12)	0.01144 (11)	−0.00545 (9)	0.00036 (8)	−0.00041 (9)
Gd4	0.01090 (11)	0.02408 (14)	0.01260 (11)	−0.00794 (10)	0.00017 (8)	0.00122 (10)
O44	0.037 (3)	0.037 (3)	0.036 (3)	−0.026 (2)	−0.012 (2)	0.006 (2)
O38	0.025 (2)	0.038 (3)	0.023 (2)	−0.016 (2)	−0.0042 (17)	−0.0008 (19)
O12	0.0132 (18)	0.026 (2)	0.027 (2)	−0.0057 (16)	−0.0010 (15)	−0.0006 (17)
O20	0.025 (2)	0.032 (2)	0.027 (2)	−0.0170 (19)	0.0043 (17)	0.0058 (18)
C8	0.014 (2)	0.021 (3)	0.014 (2)	−0.010 (2)	0.0004 (18)	−0.0010 (19)
O43	0.025 (2)	0.048 (3)	0.024 (2)	−0.022 (2)	−0.0060 (17)	−0.001 (2)
O29	0.019 (2)	0.026 (2)	0.037 (2)	−0.0110 (18)	0.0079 (18)	−0.0006 (19)
O40	0.033 (2)	0.035 (3)	0.026 (2)	−0.015 (2)	0.0011 (19)	0.0053 (19)
O41	0.020 (2)	0.036 (3)	0.021 (2)	−0.0070 (19)	0.0013 (16)	0.0103 (18)
O23	0.028 (2)	0.031 (3)	0.035 (3)	−0.010 (2)	0.0077 (19)	0.012 (2)
O5	0.028 (2)	0.034 (2)	0.023 (2)	−0.020 (2)	−0.0003 (17)	0.0073 (18)
O25	0.021 (2)	0.032 (2)	0.036 (3)	−0.0121 (19)	0.0047 (18)	0.007 (2)
O42	0.028 (2)	0.023 (2)	0.040 (3)	−0.0118 (19)	−0.0011 (19)	−0.0073 (19)
O31	0.0125 (18)	0.034 (2)	0.022 (2)	−0.0024 (17)	0.0016 (15)	−0.0001 (18)
O24	0.050 (3)	0.041 (3)	0.022 (2)	−0.032 (3)	0.018 (2)	−0.010 (2)
O33A	0.033 (10)	0.09 (2)	0.018 (8)	−0.017 (10)	0.004 (7)	−0.017 (9)
O13	0.020 (2)	0.025 (2)	0.030 (2)	−0.0110 (18)	0.0074 (17)	−0.0112 (18)
O7	0.023 (2)	0.038 (3)	0.0142 (18)	−0.0151 (19)	−0.0002 (15)	0.0030 (17)
O19	0.036 (2)	0.031 (2)	0.030 (2)	−0.023 (2)	0.0064 (19)	−0.0097 (19)
O50	0.040 (3)	0.043 (3)	0.054 (3)	−0.022 (3)	0.002 (3)	−0.016 (3)
O28	0.027 (3)	0.030 (3)	0.073 (4)	−0.002 (2)	0.015 (3)	0.000 (3)
O32	0.0162 (18)	0.030 (2)	0.0171 (19)	−0.0093 (17)	−0.0052 (14)	0.0025 (16)
O22	0.039 (3)	0.038 (3)	0.063 (4)	−0.024 (2)	0.011 (3)	−0.023 (3)
O27	0.038 (3)	0.024 (2)	0.039 (3)	−0.015 (2)	0.003 (2)	−0.002 (2)
O3	0.053 (3)	0.029 (3)	0.035 (3)	−0.021 (2)	0.003 (2)	−0.009 (2)
O11	0.023 (2)	0.038 (3)	0.022 (2)	−0.011 (2)	−0.0095 (17)	0.0049 (19)
O21	0.082 (5)	0.052 (4)	0.035 (3)	−0.031 (4)	0.020 (3)	−0.022 (3)
O4	0.119 (6)	0.061 (4)	0.020 (3)	−0.057 (4)	0.011 (3)	−0.012 (3)
O9	0.019 (2)	0.070 (4)	0.030 (3)	−0.011 (2)	0.0069 (19)	−0.014 (3)
O6	0.0185 (19)	0.025 (2)	0.023 (2)	−0.0117 (17)	0.0072 (15)	−0.0050 (16)
O2	0.0209 (19)	0.0169 (19)	0.024 (2)	−0.0074 (16)	0.0066 (16)	0.0000 (16)
O18	0.0182 (19)	0.023 (2)	0.027 (2)	−0.0141 (17)	0.0060 (15)	−0.0084 (16)
O14	0.0195 (19)	0.0177 (19)	0.024 (2)	−0.0054 (16)	0.0071 (16)	−0.0053 (16)
O17	0.0154 (18)	0.019 (2)	0.026 (2)	−0.0037 (16)	−0.0007 (15)	−0.0046 (16)
O8	0.0146 (18)	0.031 (2)	0.0169 (19)	−0.0059 (17)	−0.0041 (14)	0.0015 (16)
O35	0.0167 (19)	0.038 (3)	0.019 (2)	−0.0103 (18)	−0.0030 (15)	−0.0024 (18)
O1	0.024 (2)	0.031 (2)	0.0158 (18)	−0.0177 (18)	0.0038 (15)	−0.0028 (16)
O26	0.0179 (19)	0.026 (2)	0.024 (2)	−0.0106 (17)	0.0054 (15)	0.0006 (17)
O36	0.0187 (19)	0.036 (2)	0.0161 (19)	−0.0102 (18)	−0.0015 (15)	−0.0032 (17)
O45	0.022 (2)	0.033 (3)	0.043 (3)	−0.008 (2)	−0.010 (2)	0.004 (2)
N2	0.024 (3)	0.041 (3)	0.014 (2)	−0.006 (2)	0.0032 (19)	−0.002 (2)
N1	0.045 (3)	0.029 (3)	0.021 (3)	−0.018 (3)	0.005 (2)	−0.007 (2)
O30	0.0208 (19)	0.025 (2)	0.023 (2)	−0.0122 (17)	0.0016 (16)	0.0022 (17)
N9	0.028 (3)	0.038 (3)	0.017 (2)	−0.015 (2)	0.000 (2)	0.002 (2)
O37	0.027 (2)	0.027 (2)	0.032 (2)	−0.0032 (19)	−0.0037 (19)	0.0048 (19)
C48	0.012 (2)	0.022 (3)	0.018 (2)	−0.005 (2)	0.0010 (19)	−0.002 (2)
C1	0.011 (2)	0.023 (3)	0.016 (2)	−0.006 (2)	−0.0003 (18)	0.002 (2)
C2	0.013 (2)	0.019 (3)	0.015 (2)	−0.006 (2)	0.0011 (18)	0.0015 (19)
C47	0.020 (3)	0.028 (3)	0.015 (2)	−0.014 (2)	−0.0027 (19)	0.002 (2)
C10	0.014 (2)	0.021 (3)	0.012 (2)	−0.006 (2)	−0.0016 (18)	0.0012 (19)
C34	0.016 (2)	0.026 (3)	0.019 (3)	−0.011 (2)	0.003 (2)	−0.002 (2)
C13	0.020 (3)	0.025 (3)	0.014 (2)	−0.007 (2)	−0.003 (2)	0.000 (2)
C20	0.021 (3)	0.025 (3)	0.047 (4)	−0.014 (3)	0.001 (3)	−0.004 (3)
C63	0.064 (5)	0.040 (4)	0.034 (4)	−0.029 (4)	−0.006 (4)	−0.003 (3)
N6	0.017 (2)	0.040 (3)	0.027 (3)	−0.001 (2)	0.001 (2)	−0.011 (2)
N15	0.070 (6)	0.061 (5)	0.057 (5)	−0.026 (5)	−0.017 (4)	−0.005 (4)
C66	0.084 (8)	0.062 (7)	0.073 (8)	−0.007 (6)	0.012 (6)	−0.032 (6)
C39	0.021 (3)	0.024 (3)	0.020 (3)	−0.012 (2)	0.000 (2)	0.001 (2)
C68	0.048 (5)	0.045 (5)	0.112 (10)	−0.021 (5)	−0.009 (6)	0.017 (6)
O46	0.051 (4)	0.056 (4)	0.109 (7)	−0.017 (4)	−0.020 (4)	0.008 (4)
C62	0.066 (6)	0.134 (10)	0.041 (5)	−0.079 (7)	0.006 (4)	−0.025 (6)
C22	0.017 (2)	0.017 (3)	0.016 (2)	−0.007 (2)	0.0001 (19)	−0.0015 (19)
C24	0.019 (2)	0.021 (3)	0.015 (2)	−0.009 (2)	0.0026 (19)	−0.002 (2)
C61	0.023 (3)	0.030 (3)	0.021 (3)	−0.009 (3)	−0.005 (2)	−0.004 (2)
N10	0.035 (4)	0.026 (3)	0.088 (6)	−0.009 (3)	0.004 (4)	−0.010 (3)
C5	0.028 (3)	0.024 (3)	0.015 (2)	−0.012 (2)	0.001 (2)	0.000 (2)
C21	0.016 (3)	0.021 (3)	0.030 (3)	−0.007 (2)	0.003 (2)	−0.006 (2)
C56	0.058 (5)	0.047 (5)	0.041 (4)	−0.035 (4)	−0.004 (4)	0.005 (4)
C32	0.020 (3)	0.024 (3)	0.018 (3)	−0.011 (2)	0.003 (2)	−0.004 (2)
C27	0.019 (3)	0.023 (3)	0.020 (3)	−0.009 (2)	0.007 (2)	−0.007 (2)
C65	0.025 (4)	0.117 (10)	0.052 (6)	0.005 (5)	−0.003 (4)	−0.019 (6)
C75	0.059 (7)	0.103 (10)	0.105 (10)	−0.023 (7)	−0.023 (7)	−0.048 (8)
C67	0.065 (6)	0.053 (5)	0.050 (5)	−0.033 (5)	−0.005 (4)	0.003 (4)
C7	0.009 (2)	0.020 (3)	0.023 (3)	−0.004 (2)	−0.0065 (19)	0.009 (2)
C12	0.019 (3)	0.025 (3)	0.014 (2)	−0.006 (2)	0.003 (2)	−0.004 (2)
N3	0.025 (3)	0.035 (4)	0.106 (6)	−0.019 (3)	0.015 (3)	−0.032 (4)
O48	0.043 (3)	0.049 (3)	0.057 (4)	−0.021 (3)	−0.011 (3)	−0.009 (3)
C58	0.036 (4)	0.029 (4)	0.058 (5)	−0.009 (3)	−0.009 (4)	−0.007 (3)
C64	0.020 (3)	0.035 (4)	0.031 (3)	−0.008 (3)	−0.003 (2)	−0.002 (3)
C74	0.073 (7)	0.040 (5)	0.072 (7)	−0.025 (5)	−0.016 (5)	−0.001 (5)
N5	0.027 (3)	0.028 (3)	0.030 (3)	−0.008 (2)	0.001 (2)	0.000 (2)
C36	0.019 (3)	0.025 (3)	0.020 (3)	−0.010 (2)	0.000 (2)	0.000 (2)
C18	0.019 (3)	0.018 (3)	0.019 (3)	−0.007 (2)	0.007 (2)	−0.008 (2)
C25	0.015 (2)	0.021 (3)	0.023 (3)	−0.008 (2)	−0.002 (2)	0.001 (2)
C69	0.114 (10)	0.065 (7)	0.049 (6)	−0.037 (7)	−0.019 (6)	0.014 (5)
N13	0.046 (4)	0.041 (4)	0.047 (4)	−0.023 (3)	−0.005 (3)	0.010 (3)
C40	0.021 (3)	0.020 (3)	0.028 (3)	−0.011 (2)	0.006 (2)	−0.001 (2)
C41	0.015 (2)	0.019 (3)	0.020 (3)	−0.007 (2)	−0.0007 (19)	0.002 (2)
C16	0.014 (2)	0.019 (3)	0.013 (2)	−0.006 (2)	−0.0009 (18)	−0.0002 (19)
C11	0.014 (2)	0.023 (3)	0.013 (2)	−0.006 (2)	−0.0018 (18)	0.001 (2)
C42	0.011 (2)	0.011 (2)	0.024 (3)	0.0007 (19)	0.0016 (19)	0.002 (2)
C55	0.042 (4)	0.040 (4)	0.026 (3)	−0.022 (3)	−0.003 (3)	0.001 (3)
C15	0.016 (2)	0.018 (3)	0.021 (3)	−0.008 (2)	−0.004 (2)	0.003 (2)
C45	0.015 (2)	0.026 (3)	0.021 (3)	−0.007 (2)	−0.004 (2)	0.001 (2)
C30	0.017 (2)	0.022 (3)	0.018 (3)	−0.008 (2)	0.004 (2)	0.000 (2)
C19	0.025 (3)	0.018 (3)	0.036 (3)	−0.010 (2)	0.004 (2)	−0.011 (2)
C26	0.017 (2)	0.016 (2)	0.017 (2)	−0.008 (2)	0.0031 (19)	−0.001 (2)
N11	0.033 (3)	0.043 (3)	0.027 (3)	−0.022 (3)	−0.003 (2)	−0.004 (2)
C37	0.019 (3)	0.023 (3)	0.021 (3)	−0.008 (2)	0.001 (2)	−0.001 (2)
C31	0.018 (3)	0.030 (3)	0.020 (3)	−0.013 (2)	0.000 (2)	0.002 (2)
C35	0.019 (3)	0.024 (3)	0.019 (3)	−0.012 (2)	0.001 (2)	0.001 (2)
C4	0.030 (3)	0.025 (3)	0.016 (3)	−0.014 (3)	0.004 (2)	−0.006 (2)
C17	0.017 (2)	0.019 (3)	0.015 (2)	−0.005 (2)	0.0003 (19)	−0.006 (2)
C9	0.017 (2)	0.019 (3)	0.011 (2)	−0.008 (2)	−0.0019 (18)	−0.0003 (19)
C29	0.017 (3)	0.023 (3)	0.029 (3)	−0.010 (2)	0.001 (2)	−0.002 (2)
C44	0.016 (2)	0.025 (3)	0.019 (3)	−0.005 (2)	0.002 (2)	−0.006 (2)
C23	0.020 (2)	0.018 (3)	0.013 (2)	−0.007 (2)	−0.0019 (19)	−0.0024 (19)
C6	0.016 (2)	0.020 (3)	0.019 (3)	−0.009 (2)	0.0021 (19)	0.000 (2)
C46	0.013 (2)	0.023 (3)	0.016 (2)	−0.006 (2)	−0.0022 (19)	0.002 (2)
N4	0.032 (3)	0.030 (3)	0.035 (3)	−0.012 (2)	0.005 (2)	−0.016 (2)
C14	0.016 (2)	0.030 (3)	0.013 (2)	−0.016 (2)	−0.0050 (19)	−0.001 (2)
C43	0.017 (3)	0.028 (3)	0.015 (2)	−0.007 (2)	−0.001 (2)	−0.002 (2)
C3	0.022 (3)	0.018 (3)	0.021 (3)	−0.009 (2)	0.002 (2)	−0.001 (2)
C28	0.022 (3)	0.020 (3)	0.022 (3)	−0.010 (2)	0.003 (2)	−0.006 (2)
N12	0.028 (3)	0.053 (4)	0.030 (3)	0.001 (3)	0.000 (2)	−0.010 (3)
C38	0.021 (3)	0.028 (3)	0.019 (3)	−0.015 (2)	0.002 (2)	0.001 (2)
C33	0.017 (3)	0.023 (3)	0.023 (3)	−0.010 (2)	0.004 (2)	−0.001 (2)
C73	0.055 (5)	0.070 (7)	0.052 (5)	−0.034 (5)	−0.011 (4)	0.007 (5)
C60	0.062 (7)	0.041 (6)	0.121 (11)	0.009 (5)	−0.005 (7)	0.000 (6)
O33B	0.025 (11)	0.038 (8)	0.029 (9)	0.009 (9)	0.004 (6)	−0.010 (6)
N7	0.036 (3)	0.027 (3)	0.029 (3)	−0.012 (2)	−0.013 (2)	−0.002 (2)
N8	0.058 (8)	0.070 (9)	0.022 (5)	−0.060 (8)	−0.004 (5)	−0.002 (5)
C53	0.045 (9)	0.062 (11)	0.038 (8)	−0.019 (8)	−0.020 (7)	−0.011 (8)
C54	0.026 (8)	0.081 (16)	0.093 (17)	0.000 (9)	−0.017 (9)	−0.024 (13)
C52	0.041 (7)	0.039 (7)	0.011 (5)	−0.029 (6)	−0.010 (5)	0.003 (5)

Geometric parameters (Å, º)

Gd3—O31^i	2.328 (4)	C62—H62B	0.9800
Gd3—O11	2.328 (4)	C62—H62C	0.9800
Gd3—O19	2.363 (4)	C22—C21	1.389 (8)
Gd3—O5^ii	2.386 (4)	C22—C24	1.395 (7)
Gd3—O41	2.413 (4)	C22—C23	1.500 (7)
Gd3—O43	2.421 (4)	C24—C18	1.392 (8)
Gd3—O26	2.422 (4)	C24—H24	0.9500
Gd3—O42	2.433 (4)	C61—N11	1.322 (8)
Gd2—O20	2.315 (4)	C61—H61	0.9500
Gd2—O6^ii	2.356 (4)	N10—C58	1.283 (10)
Gd2—O39	2.378 (6)	N10—C59A	1.454 (5)
Gd2—O12	2.382 (4)	N10—C60	1.461 (12)
Gd2—O32^i	2.386 (4)	N10—C59B	1.49 (4)
Gd2—O14	2.472 (4)	C5—C4	1.377 (8)
Gd2—O40	2.496 (5)	C5—C6	1.396 (8)
Gd2—O13	2.519 (4)	C5—H5	0.9500
Gd1—O7	2.294 (4)	C21—H21	0.9500
Gd1—O18^iii	2.349 (4)	C77A—H77A	0.9800
Gd1—O17^iv	2.359 (4)	C77A—H77B	0.9800
Gd1—O8^v	2.372 (4)	C77A—H77C	0.9800
Gd1—O38	2.418 (4)	C56—H56A	0.9800
Gd1—O1	2.430 (4)	C56—H56B	0.9800
Gd1—O37	2.462 (5)	C56—H56C	0.9800
Gd1—O2	2.516 (4)	C32—C30	1.390 (8)
Gd4—O45	2.353 (5)	C32—C26	1.399 (7)
Gd4—O30	2.368 (4)	C32—H32	0.9500
Gd4—O36	2.386 (4)	C27—C26	1.386 (8)
Gd4—O24	2.387 (4)	C27—C28	1.389 (8)
Gd4—O35^vi	2.391 (4)	C27—H27	0.9500
Gd4—O29^vi	2.427 (4)	C65—N12	1.473 (11)
Gd4—O44	2.484 (4)	C65—H65A	0.9800
Gd4—O23	2.623 (5)	C65—H65B	0.9800
Gd4—O30^vi	2.697 (4)	C65—H65C	0.9800
Gd4—C39^vi	2.916 (6)	C75—H75A	0.9800
Gd4—Gd4^vi	4.0428 (7)	C75—H75B	0.9800
O44—H44A	0.9245	C75—H75C	0.9800
O38—C49B	1.21 (2)	C67—N13	1.327 (12)
O38—C49A	1.268 (10)	C67—H67	0.9500
O12—C15	1.257 (7)	C7—C6	1.509 (8)
O20—C25	1.259 (7)	C12—C11	1.380 (7)
C8—C6	1.385 (7)	N3—O16A	1.233 (5)
C8—C2	1.392 (7)	N3—O15B	1.235 (5)
C8—H8	0.9500	O48—C73	1.318 (12)
O43—C61	1.241 (8)	C58—H58	0.9500
O29—C39	1.254 (7)	C64—N12	1.309 (9)
O29—Gd4^vi	2.426 (4)	C64—H64	0.9500
O40—C55	1.235 (8)	O49B—C77B	1.222 (10)
O41—H41A	0.8400	C74—H74A	0.9800
O41—H41B	0.8594	C74—H74B	0.9800
O23—C31	1.237 (8)	C74—H74C	0.9800
O5—C7	1.253 (7)	N5—C36	1.460 (8)
O5—Gd3^ii	2.386 (4)	C36—C37	1.383 (8)
O25—C33	1.253 (8)	C36—C35	1.390 (8)
O42—C58	1.210 (9)	C18—C19	1.376 (8)
O31—C41	1.245 (7)	C18—C17	1.511 (7)
O31—Gd3^i	2.328 (4)	C25—C26	1.508 (7)
O24—C31	1.264 (8)	C69—N13	1.433 (13)
O33A—N6	1.229 (5)	C69—H69A	0.9800
O13—C17	1.263 (7)	C69—H69B	0.9800
O7—C9	1.252 (6)	C69—H69C	0.9800
O19—C25	1.241 (7)	C40—C38	1.386 (8)
O50—H50	0.7977	C40—H40	0.9500
O28—N5	1.231 (7)	C41—C42	1.510 (7)
O32—C41	1.245 (7)	C16—C14	1.386 (7)
O32—Gd2^i	2.386 (4)	C16—H16	0.9500
O22—N4	1.216 (8)	C11—H11	0.9500
O27—N5	1.211 (7)	C42—C43	1.382 (7)
O3—N1	1.215 (7)	C55—H55	0.9500
O16B—N3	1.236 (5)	C15—C14	1.508 (7)
O10B—N2	1.283 (11)	C45—C44	1.381 (8)
O15A—N3	1.233 (5)	C45—C46	1.395 (8)
O11—C15	1.255 (7)	C45—H45	0.9500
O34B—N6	1.227 (5)	C30—C29	1.383 (8)
O21—N4	1.226 (8)	C30—C31	1.519 (7)
O4—N1	1.222 (8)	C76A—O49A	1.18 (5)
O9—N2	1.214 (7)	C76A—H76D	0.9500
O6—C7	1.271 (7)	C19—H19	0.9500
O6—Gd2^ii	2.357 (4)	C37—C38	1.390 (8)
O2—C1	1.253 (7)	C37—H37	0.9500
O18—C23	1.249 (7)	C35—H35	0.9500
O18—Gd1^iii	2.349 (4)	C4—C3	1.387 (8)
O14—C17	1.259 (7)	C29—C28	1.391 (8)
O17—C23	1.254 (7)	C29—H29	0.9500
O17—Gd1^vii	2.359 (4)	C44—C43	1.384 (8)
O8—C9	1.255 (6)	N4—C28	1.460 (7)
O8—Gd1^v	2.372 (4)	C43—H43	0.9500
O35—C47	1.245 (7)	C3—H3	0.9500
O35—Gd4^vi	2.391 (4)	C73—H73	0.9500
O1—C1	1.256 (7)	C57B—H57A	0.9800
O26—C33	1.257 (7)	C57B—H57B	0.9800
O36—C47	1.263 (7)	C57B—H57C	0.9800
O45—C64	1.226 (8)	C60—H60A	0.9800
N2—O10A	1.195 (12)	C60—H60B	0.9800
N2—C12	1.476 (7)	C60—H60C	0.9800
N1—C4	1.465 (8)	C57A—H57D	0.9800
O30—C39	1.266 (7)	C57A—H57E	0.9800
O30—Gd4^vi	2.697 (4)	C57A—H57F	0.9800
N16—C77B	1.360 (10)	N7—C49A	1.296 (10)
N16—C76B	1.403 (14)	N7—C49B	1.41 (2)
N16—C76A	1.41 (4)	N7—C50B	1.42 (3)
N16—C78	1.460 (9)	N7—C51B	1.45 (3)
N16—C77A	1.48 (4)	N7—C50A	1.452 (12)
N9—C55	1.297 (8)	N7—C51A	1.469 (14)
N9—C57A	1.444 (5)	C49A—H49A	0.9500
N9—C56	1.460 (9)	C50A—H50A	0.9800
N9—C57B	1.491 (16)	C50A—H50B	0.9800
C48—C46	1.398 (7)	C50A—H50C	0.9800
C48—C42	1.401 (8)	C51A—H51A	0.9800
C48—H48	0.9500	C51A—H51B	0.9800
C1—C2	1.513 (7)	C51A—H51C	0.9800
C2—C3	1.379 (8)	C49B—H49B	0.9500
C47—C46	1.510 (7)	C51B—H51D	0.9800
C10—C16	1.388 (7)	C51B—H51E	0.9800
C10—C11	1.389 (7)	C51B—H51F	0.9800
C10—C9	1.494 (7)	C50B—H50D	0.9800
C34—C35	1.384 (8)	C50B—H50E	0.9800
C34—C40	1.394 (8)	C50B—H50F	0.9800
C34—C33	1.515 (7)	O39—C52	1.182 (5)
C13—C12	1.378 (8)	C59A—H59A	0.9800
C13—C14	1.397 (8)	C59A—H59B	0.9800
C13—H13	0.9500	C59A—H59C	0.9800
C20—C21	1.380 (8)	C77B—H77D	0.9500
C20—C19	1.381 (9)	C76B—H76A	0.9800
C20—N3	1.475 (8)	C76B—H76B	0.9800
C78—H78A	0.9800	C76B—H76C	0.9800
C78—H78B	0.9800	N14—C70	1.102 (17)
C78—H78C	0.9800	N14—C72	1.486 (18)
C63—N11	1.436 (9)	N14—C71	1.500 (5)
C63—H63A	0.9800	O47—C70	1.278 (18)
C63—H63B	0.9800	C72—H72A	0.9800
C63—H63C	0.9800	C72—H72B	0.9800
N6—O33B	1.229 (5)	C72—H72C	0.9800
N6—O34A	1.237 (5)	C59B—H59D	0.9800
N6—C44	1.472 (7)	C59B—H59E	0.9800
N15—C73	1.254 (13)	C59B—H59F	0.9800
N15—C74	1.442 (12)	C70—H70	0.9500
N15—C75	1.478 (14)	C71—H71A	0.9800
C66—N12	1.431 (13)	C71—H71B	0.9800
C66—H66A	0.9800	C71—H71C	0.9800
C66—H66B	0.9800	N8—C52	1.353 (4)
C66—H66C	0.9800	N8—C54	1.448 (5)
C39—C38	1.494 (8)	N8—C53	1.455 (5)
C39—Gd4^vi	2.916 (6)	C53—H53A	0.9800
C68—N13	1.436 (12)	C53—H53B	0.9800
C68—H68A	0.9800	C53—H53C	0.9800
C68—H68B	0.9800	C54—H54A	0.9800
C68—H68C	0.9800	C54—H54B	0.9800
O46—C67	1.207 (12)	C54—H54C	0.9800
C62—N11	1.444 (10)	C52—H52	0.9500
C62—H62A	0.9800
O31^i—Gd3—O11	120.62 (16)	N16—C77A—H77B	109.5
O31^i—Gd3—O19	75.28 (16)	N16—C77A—H77C	109.5
O11—Gd3—O19	74.06 (18)	N9—C56—H56A	109.5
O31^i—Gd3—O5^ii	74.01 (16)	N9—C56—H56B	109.5
O11—Gd3—O5^ii	74.18 (16)	H56A—C56—H56B	109.5
O19—Gd3—O5^ii	114.15 (16)	N9—C56—H56C	109.5
O31^i—Gd3—O41	73.38 (15)	H56A—C56—H56C	109.5
O11—Gd3—O41	142.88 (16)	H56B—C56—H56C	109.5
O19—Gd3—O41	77.66 (17)	C30—C32—C26	119.8 (5)
O5^ii—Gd3—O41	140.68 (15)	C30—C32—H32	120.1
O31^i—Gd3—O43	77.14 (16)	C26—C32—H32	120.1
O11—Gd3—O43	138.33 (17)	C26—C27—C28	118.6 (5)
O19—Gd3—O43	146.04 (18)	C26—C27—H27	120.7
O5^ii—Gd3—O43	76.10 (15)	C28—C27—H27	120.7
O41—Gd3—O43	75.76 (16)	N12—C65—H65A	109.5
O31^i—Gd3—O26	140.21 (15)	N12—C65—H65B	109.5
O11—Gd3—O26	79.29 (15)	H65A—C65—H65B	109.5
O19—Gd3—O26	78.76 (15)	N12—C65—H65C	109.5
O5^ii—Gd3—O26	145.17 (15)	H65A—C65—H65C	109.5
O41—Gd3—O26	71.96 (14)	H65B—C65—H65C	109.5
O43—Gd3—O26	112.01 (15)	N15—C75—H75A	109.5
O31^i—Gd3—O42	141.93 (16)	N15—C75—H75B	109.5
O11—Gd3—O42	75.61 (17)	H75A—C75—H75B	109.5
O19—Gd3—O42	141.50 (16)	N15—C75—H75C	109.5
O5^ii—Gd3—O42	79.05 (16)	H75A—C75—H75C	109.5
O41—Gd3—O42	115.97 (17)	H75B—C75—H75C	109.5
O43—Gd3—O42	70.57 (17)	O46—C67—N13	126.3 (10)
O26—Gd3—O42	72.76 (15)	O46—C67—H67	116.9
O20—Gd2—O6^ii	128.59 (15)	N13—C67—H67	116.9
O20—Gd2—O39	76.3 (2)	O5—C7—O6	127.0 (5)
O6^ii—Gd2—O39	142.47 (19)	O5—C7—C6	116.6 (5)
O20—Gd2—O12	79.72 (16)	O6—C7—C6	116.5 (5)
O6^ii—Gd2—O12	78.59 (14)	C13—C12—C11	122.6 (5)
O39—Gd2—O12	79.82 (18)	C13—C12—N2	119.5 (5)
O20—Gd2—O32^i	75.77 (15)	C11—C12—N2	117.9 (5)
O6^ii—Gd2—O32^i	77.93 (15)	O16A—N3—O15A	125.3 (8)
O39—Gd2—O32^i	139.51 (19)	O16A—N3—O15B	119.0 (10)
O12—Gd2—O32^i	122.66 (14)	O15A—N3—O15B	29.3 (6)
O20—Gd2—O14	130.47 (15)	O16A—N3—O16B	27.9 (6)
O6^ii—Gd2—O14	79.27 (13)	O15A—N3—O16B	116.9 (8)
O39—Gd2—O14	106.52 (18)	O15B—N3—O16B	127.1 (9)
O12—Gd2—O14	149.74 (14)	O16A—N3—C20	116.3 (7)
O32^i—Gd2—O14	71.78 (14)	O15A—N3—C20	118.4 (6)
O20—Gd2—O40	144.82 (16)	O15B—N3—C20	115.4 (7)
O6^ii—Gd2—O40	76.19 (16)	O16B—N3—C20	117.5 (6)
O39—Gd2—O40	70.8 (2)	O42—C58—N10	129.2 (8)
O12—Gd2—O40	82.45 (15)	O42—C58—H58	115.4
O32^i—Gd2—O40	138.88 (15)	N10—C58—H58	115.4
O14—Gd2—O40	72.40 (15)	O45—C64—N12	124.5 (7)
O20—Gd2—O13	84.42 (15)	O45—C64—H64	117.8
O6^ii—Gd2—O13	130.31 (13)	N12—C64—H64	117.8
O39—Gd2—O13	72.07 (18)	N15—C74—H74A	109.5
O12—Gd2—O13	150.30 (14)	N15—C74—H74B	109.5
O32^i—Gd2—O13	76.54 (15)	H74A—C74—H74B	109.5
O14—Gd2—O13	52.45 (13)	N15—C74—H74C	109.5
O40—Gd2—O13	96.90 (16)	H74A—C74—H74C	109.5
O7—Gd1—O18^iii	75.40 (15)	H74B—C74—H74C	109.5
O7—Gd1—O17^iv	77.47 (16)	O27—N5—O28	123.1 (6)
O18^iii—Gd1—O17^iv	122.19 (14)	O27—N5—C36	119.2 (5)
O7—Gd1—O8^v	120.55 (14)	O28—N5—C36	117.7 (6)
O18^iii—Gd1—O8^v	75.75 (15)	C37—C36—C35	121.7 (6)
O17^iv—Gd1—O8^v	75.92 (15)	C37—C36—N5	119.1 (5)
O7—Gd1—O38	77.68 (15)	C35—C36—N5	119.2 (5)
O18^iii—Gd1—O38	141.60 (16)	C19—C18—C24	119.6 (5)
O17^iv—Gd1—O38	77.00 (15)	C19—C18—C17	119.9 (5)
O8^v—Gd1—O38	142.37 (16)	C24—C18—C17	120.5 (5)
O7—Gd1—O1	151.30 (15)	O19—C25—O20	125.5 (5)
O18^iii—Gd1—O1	133.30 (14)	O19—C25—C26	118.3 (5)
O17^iv—Gd1—O1	84.53 (14)	O20—C25—C26	116.2 (5)
O8^v—Gd1—O1	75.27 (14)	N13—C69—H69A	109.5
O38—Gd1—O1	76.59 (14)	N13—C69—H69B	109.5
O7—Gd1—O37	81.32 (16)	H69A—C69—H69B	109.5
O18^iii—Gd1—O37	76.08 (16)	N13—C69—H69C	109.5
O17^iv—Gd1—O37	146.41 (15)	H69A—C69—H69C	109.5
O8^v—Gd1—O37	137.66 (16)	H69B—C69—H69C	109.5
O38—Gd1—O37	73.20 (17)	C67—N13—C69	118.8 (9)
O1—Gd1—O37	103.03 (16)	C67—N13—C68	122.9 (9)
O7—Gd1—O2	151.56 (15)	C69—N13—C68	118.3 (9)
O18^iii—Gd1—O2	83.14 (13)	C38—C40—C34	121.2 (6)
O17^iv—Gd1—O2	130.50 (14)	C38—C40—H40	119.4
O8^v—Gd1—O2	70.30 (14)	C34—C40—H40	119.4
O38—Gd1—O2	110.35 (15)	O31—C41—O32	126.6 (5)
O1—Gd1—O2	52.81 (13)	O31—C41—C42	115.8 (5)
O37—Gd1—O2	75.50 (15)	O32—C41—C42	117.6 (5)
O45—Gd4—O30	153.48 (16)	C14—C16—C10	120.1 (5)
O45—Gd4—O36	82.00 (16)	C14—C16—H16	120.0
O30—Gd4—O36	77.87 (15)	C10—C16—H16	120.0
O45—Gd4—O24	99.26 (19)	C12—C11—C10	118.1 (5)
O30—Gd4—O24	83.38 (16)	C12—C11—H11	121.0
O36—Gd4—O24	135.06 (16)	C10—C11—H11	121.0
O45—Gd4—O35^vi	132.32 (17)	C43—C42—C48	119.9 (5)
O30—Gd4—O35^vi	74.11 (15)	C43—C42—C41	120.5 (5)
O36—Gd4—O35^vi	133.84 (14)	C48—C42—C41	119.6 (5)
O24—Gd4—O35^vi	76.84 (16)	O40—C55—N9	126.4 (7)
O45—Gd4—O29^vi	71.57 (16)	O40—C55—H55	116.8
O30—Gd4—O29^vi	124.51 (14)	N9—C55—H55	116.8
O36—Gd4—O29^vi	88.61 (16)	O11—C15—O12	125.9 (5)
O24—Gd4—O29^vi	134.77 (16)	O11—C15—C14	115.8 (5)
O35^vi—Gd4—O29^vi	78.31 (16)	O12—C15—C14	118.3 (5)
O45—Gd4—O44	72.70 (17)	C44—C45—C46	119.0 (5)
O30—Gd4—O44	84.53 (16)	C44—C45—H45	120.5
O36—Gd4—O44	71.35 (16)	C46—C45—H45	120.5
O24—Gd4—O44	66.46 (17)	C29—C30—C32	120.9 (5)
O35^vi—Gd4—O44	139.32 (16)	C29—C30—C31	120.4 (5)
O29^vi—Gd4—O44	140.99 (16)	C32—C30—C31	118.7 (5)
O45—Gd4—O23	70.88 (17)	O49A—C76A—N16	121 (3)
O30—Gd4—O23	127.31 (14)	O49A—C76A—H76D	119.3
O36—Gd4—O23	152.84 (15)	N16—C76A—H76D	119.3
O24—Gd4—O23	51.97 (15)	C18—C19—C20	118.5 (5)
O35^vi—Gd4—O23	70.02 (15)	C18—C19—H19	120.7
O29^vi—Gd4—O23	84.13 (15)	C20—C19—H19	120.7
O44—Gd4—O23	98.56 (16)	C27—C26—C32	120.2 (5)
O45—Gd4—O30^vi	114.48 (16)	C27—C26—C25	120.7 (5)
O30—Gd4—O30^vi	74.29 (15)	C32—C26—C25	119.1 (5)
O36—Gd4—O30^vi	69.79 (14)	C61—N11—C63	121.8 (6)
O24—Gd4—O30^vi	141.98 (16)	C61—N11—C62	120.2 (6)
O35^vi—Gd4—O30^vi	67.73 (14)	C63—N11—C62	118.0 (6)
O29^vi—Gd4—O30^vi	50.74 (13)	C36—C37—C38	119.0 (5)
O44—Gd4—O30^vi	138.71 (15)	C36—C37—H37	120.5
O23—Gd4—O30^vi	122.52 (14)	C38—C37—H37	120.5
O45—Gd4—C39^vi	92.78 (17)	O23—C31—O24	123.7 (6)
O30—Gd4—C39^vi	99.75 (15)	O23—C31—C30	120.0 (6)
O36—Gd4—C39^vi	78.18 (16)	O24—C31—C30	116.2 (5)
O24—Gd4—C39^vi	145.74 (16)	C34—C35—C36	119.3 (5)
O35^vi—Gd4—C39^vi	71.43 (16)	C34—C35—H35	120.3
O29^vi—Gd4—C39^vi	25.06 (15)	C36—C35—H35	120.3
O44—Gd4—C39^vi	147.63 (16)	C5—C4—C3	122.8 (5)
O23—Gd4—C39^vi	103.79 (16)	C5—C4—N1	119.2 (5)
O30^vi—Gd4—C39^vi	25.68 (15)	C3—C4—N1	118.0 (5)
O45—Gd4—Gd4^vi	143.19 (13)	O14—C17—O13	122.0 (5)
O30—Gd4—Gd4^vi	39.96 (10)	O14—C17—C18	118.1 (5)
O36—Gd4—Gd4^vi	69.29 (10)	O13—C17—C18	119.8 (5)
O24—Gd4—Gd4^vi	117.26 (14)	O7—C9—O8	124.7 (5)
O35^vi—Gd4—Gd4^vi	65.59 (10)	O7—C9—C10	117.4 (5)
O29^vi—Gd4—Gd4^vi	84.82 (10)	O8—C9—C10	117.9 (5)
O44—Gd4—Gd4^vi	116.45 (12)	C30—C29—C28	118.2 (5)
O23—Gd4—Gd4^vi	135.54 (11)	C30—C29—H29	120.9
O30^vi—Gd4—Gd4^vi	34.33 (9)	C28—C29—H29	120.9
C39^vi—Gd4—Gd4^vi	59.86 (12)	C45—C44—C43	122.9 (5)
Gd4—O44—H44A	126.5	C45—C44—N6	118.8 (5)
C49B—O38—C49A	59.7 (10)	C43—C44—N6	118.3 (5)
C49B—O38—Gd1	157.1 (10)	O18—C23—O17	126.9 (5)
C49A—O38—Gd1	125.2 (5)	O18—C23—C22	116.5 (5)
C15—O12—Gd2	146.3 (4)	O17—C23—C22	116.6 (5)
C25—O20—Gd2	145.3 (4)	C8—C6—C5	118.9 (5)
C6—C8—C2	121.4 (5)	C8—C6—C7	121.1 (5)
C6—C8—H8	119.3	C5—C6—C7	119.9 (5)
C2—C8—H8	119.3	C45—C46—C48	118.9 (5)
C61—O43—Gd3	127.0 (4)	C45—C46—C47	119.3 (5)
C39—O29—Gd4^vi	99.9 (4)	C48—C46—C47	121.7 (5)
C55—O40—Gd2	120.4 (5)	O22—N4—O21	123.5 (6)
Gd3—O41—H41A	109.5	O22—N4—C28	119.2 (6)
Gd3—O41—H41B	129.6	O21—N4—C28	117.1 (6)
H41A—O41—H41B	120.3	C16—C14—C13	119.9 (5)
C31—O23—Gd4	86.8 (4)	C16—C14—C15	121.5 (5)
C7—O5—Gd3^ii	158.5 (4)	C13—C14—C15	118.6 (5)
C58—O42—Gd3	131.1 (5)	C42—C43—C44	118.4 (5)
C41—O31—Gd3^i	149.8 (4)	C42—C43—H43	120.8
C31—O24—Gd4	97.2 (4)	C44—C43—H43	120.8
C17—O13—Gd2	91.2 (3)	C2—C3—C4	118.3 (5)
C9—O7—Gd1	164.4 (4)	C2—C3—H3	120.9
C25—O19—Gd3	144.9 (4)	C4—C3—H3	120.9
C41—O32—Gd2^i	139.3 (4)	C27—C28—C29	122.2 (5)
C15—O11—Gd3	142.9 (4)	C27—C28—N4	119.1 (5)
C7—O6—Gd2^ii	131.7 (4)	C29—C28—N4	118.6 (5)
C1—O2—Gd1	89.2 (3)	C64—N12—C66	119.2 (8)
C23—O18—Gd1^iii	141.6 (4)	C64—N12—C65	120.7 (7)
C17—O14—Gd2	93.5 (3)	C66—N12—C65	119.9 (8)
C23—O17—Gd1^vii	144.3 (4)	C40—C38—C37	119.6 (5)
C9—O8—Gd1^v	126.3 (4)	C40—C38—C39	120.0 (5)
C47—O35—Gd4^vi	140.3 (4)	C37—C38—C39	120.4 (5)
C1—O1—Gd1	93.0 (3)	O25—C33—O26	126.5 (5)
C33—O26—Gd3	135.9 (4)	O25—C33—C34	116.4 (5)
C47—O36—Gd4	134.3 (4)	O26—C33—C34	117.1 (5)
C64—O45—Gd4	145.1 (5)	N15—C73—O48	123.7 (10)
O10A—N2—O9	120.0 (7)	N15—C73—H73	118.1
O10A—N2—O10B	25.2 (6)	O48—C73—H73	118.1
O9—N2—O10B	124.5 (6)	N9—C57B—H57A	109.5
O10A—N2—C12	120.2 (7)	N9—C57B—H57B	109.5
O9—N2—C12	118.2 (5)	H57A—C57B—H57B	109.5
O10B—N2—C12	115.7 (6)	N9—C57B—H57C	109.5
O3—N1—O4	123.4 (6)	H57A—C57B—H57C	109.5
O3—N1—C4	118.5 (5)	H57B—C57B—H57C	109.5
O4—N1—C4	118.1 (6)	N10—C60—H60A	109.5
C39—O30—Gd4	165.3 (4)	N10—C60—H60B	109.5
C39—O30—Gd4^vi	86.9 (3)	H60A—C60—H60B	109.5
Gd4—O30—Gd4^vi	105.71 (15)	N10—C60—H60C	109.5
C77B—N16—C76B	120.7 (8)	H60A—C60—H60C	109.5
C77B—N16—C76A	111.1 (18)	H60B—C60—H60C	109.5
C76B—N16—C76A	14.8 (18)	N9—C57A—H57D	109.5
C77B—N16—C78	121.2 (6)	N9—C57A—H57E	109.5
C76B—N16—C78	117.9 (7)	H57D—C57A—H57E	109.5
C76A—N16—C78	125.1 (17)	N9—C57A—H57F	109.5
C77B—N16—C77A	36.2 (14)	H57D—C57A—H57F	109.5
C76B—N16—C77A	121.2 (15)	H57E—C57A—H57F	109.5
C76A—N16—C77A	121 (2)	C49A—N7—C49B	54.0 (9)
C78—N16—C77A	110.8 (15)	C49A—N7—C50B	66.0 (14)
C55—N9—C57A	124.6 (9)	C49B—N7—C50B	120.0 (16)
C55—N9—C56	121.2 (6)	C49A—N7—C51B	167.4 (13)
C57A—N9—C56	111.8 (8)	C49B—N7—C51B	119.1 (15)
C55—N9—C57B	121.5 (8)	C50B—N7—C51B	119.7 (18)
C57A—N9—C57B	27.8 (8)	C49A—N7—C50A	123.1 (7)
C56—N9—C57B	115.9 (8)	C49B—N7—C50A	71.0 (9)
C46—C48—C42	121.0 (5)	C50B—N7—C50A	162.6 (15)
C46—C48—H48	119.5	C51B—N7—C50A	55.0 (13)
C42—C48—H48	119.5	C49A—N7—C51A	122.0 (8)
O2—C1—O1	122.6 (5)	C49B—N7—C51A	166.3 (11)
O2—C1—C2	119.5 (5)	C50B—N7—C51A	58.0 (14)
O1—C1—C2	117.8 (5)	C51B—N7—C51A	61.8 (13)
C3—C2—C8	119.8 (5)	C50A—N7—C51A	114.8 (8)
C3—C2—C1	119.6 (5)	O38—C49A—N7	124.1 (8)
C8—C2—C1	120.6 (5)	O38—C49A—H49A	118.0
O35—C47—O36	127.1 (5)	N7—C49A—H49A	118.0
O35—C47—C46	116.1 (5)	N7—C50A—H50A	109.5
O36—C47—C46	116.8 (5)	N7—C50A—H50B	109.5
C16—C10—C11	120.7 (5)	H50A—C50A—H50B	109.5
C16—C10—C9	120.5 (5)	N7—C50A—H50C	109.5
C11—C10—C9	118.8 (5)	H50A—C50A—H50C	109.5
C35—C34—C40	119.1 (5)	H50B—C50A—H50C	109.5
C35—C34—C33	122.1 (5)	N7—C51A—H51A	109.5
C40—C34—C33	118.7 (5)	N7—C51A—H51B	109.5
C12—C13—C14	118.6 (5)	H51A—C51A—H51B	109.5
C12—C13—H13	120.7	N7—C51A—H51C	109.5
C14—C13—H13	120.7	H51A—C51A—H51C	109.5
C21—C20—C19	123.2 (6)	H51B—C51A—H51C	109.5
C21—C20—N3	119.0 (5)	O38—C49B—N7	119.3 (16)
C19—C20—N3	117.8 (5)	O38—C49B—H49B	120.3
N16—C78—H78A	109.5	N7—C49B—H49B	120.3
N16—C78—H78B	109.5	N7—C51B—H51D	109.5
H78A—C78—H78B	109.5	N7—C51B—H51E	109.5
N16—C78—H78C	109.5	H51D—C51B—H51E	109.5
H78A—C78—H78C	109.5	N7—C51B—H51F	109.5
H78B—C78—H78C	109.5	H51D—C51B—H51F	109.5
N11—C63—H63A	109.5	H51E—C51B—H51F	109.5
N11—C63—H63B	109.5	N7—C50B—H50D	109.5
H63A—C63—H63B	109.5	N7—C50B—H50E	109.5
N11—C63—H63C	109.5	H50D—C50B—H50E	109.5
H63A—C63—H63C	109.5	N7—C50B—H50F	109.5
H63B—C63—H63C	109.5	H50D—C50B—H50F	109.5
O34B—N6—O33B	124.6 (18)	H50E—C50B—H50F	109.5
O34B—N6—O33A	117 (2)	C52—O39—Gd2	129.3 (6)
O33B—N6—O33A	16 (4)	N10—C59A—H59A	109.5
O34B—N6—O34A	22.2 (6)	N10—C59A—H59B	109.5
O33B—N6—O34A	125.7 (15)	H59A—C59A—H59B	109.5
O33A—N6—O34A	125 (2)	N10—C59A—H59C	109.5
O34B—N6—C44	119.2 (7)	H59A—C59A—H59C	109.5
O33B—N6—C44	115.6 (16)	H59B—C59A—H59C	109.5
O33A—N6—C44	119 (2)	O49B—C77B—N16	124.1 (8)
O34A—N6—C44	116.1 (6)	O49B—C77B—H77D	117.9
C73—N15—C74	121.6 (10)	N16—C77B—H77D	117.9
C73—N15—C75	121.6 (10)	N16—C76B—H76A	109.5
C74—N15—C75	116.7 (9)	N16—C76B—H76B	109.5
N12—C66—H66A	109.5	H76A—C76B—H76B	109.5
N12—C66—H66B	109.5	N16—C76B—H76C	109.5
H66A—C66—H66B	109.5	H76A—C76B—H76C	109.5
N12—C66—H66C	109.5	H76B—C76B—H76C	109.5
H66A—C66—H66C	109.5	C70—N14—C72	133.7 (14)
H66B—C66—H66C	109.5	C70—N14—C71	119.5 (15)
O29—C39—O30	122.5 (5)	C72—N14—C71	106.6 (13)
O29—C39—C38	118.3 (5)	N14—C72—H72A	109.5
O30—C39—C38	119.2 (5)	N14—C72—H72B	109.5
O29—C39—Gd4^vi	55.1 (3)	H72A—C72—H72B	109.5
O30—C39—Gd4^vi	67.5 (3)	N14—C72—H72C	109.5
C38—C39—Gd4^vi	173.4 (4)	H72A—C72—H72C	109.5
N13—C68—H68A	109.5	H72B—C72—H72C	109.5
N13—C68—H68B	109.5	N10—C59B—H59D	109.5
H68A—C68—H68B	109.5	N10—C59B—H59E	109.5
N13—C68—H68C	109.5	H59D—C59B—H59E	109.5
H68A—C68—H68C	109.5	N10—C59B—H59F	109.5
H68B—C68—H68C	109.5	H59D—C59B—H59F	109.5
N11—C62—H62A	109.5	H59E—C59B—H59F	109.5
N11—C62—H62B	109.5	N14—C70—O47	118.2 (17)
H62A—C62—H62B	109.5	N14—C70—H70	120.9
N11—C62—H62C	109.5	O47—C70—H70	120.9
H62A—C62—H62C	109.5	N14—C71—H71A	109.5
H62B—C62—H62C	109.5	N14—C71—H71B	109.5
C21—C22—C24	119.3 (5)	H71A—C71—H71B	109.5
C21—C22—C23	120.2 (5)	N14—C71—H71C	109.5
C24—C22—C23	120.4 (5)	H71A—C71—H71C	109.5
C18—C24—C22	121.1 (5)	H71B—C71—H71C	109.5
C18—C24—H24	119.4	C52—N8—C54	121.7 (6)
C22—C24—H24	119.4	C52—N8—C53	120.2 (5)
O43—C61—N11	123.7 (6)	C54—N8—C53	117.7 (8)
O43—C61—H61	118.1	N8—C53—H53A	109.5
N11—C61—H61	118.1	N8—C53—H53B	109.5
C58—N10—C59A	115.0 (12)	H53A—C53—H53B	109.5
C58—N10—C60	125.9 (9)	N8—C53—H53C	109.5
C59A—N10—C60	115.4 (12)	H53A—C53—H53C	109.5
C58—N10—C59B	110.1 (17)	H53B—C53—H53C	109.5
C59A—N10—C59B	66.8 (17)	N8—C54—H54A	109.5
C60—N10—C59B	106.6 (17)	N8—C54—H54B	109.5
C4—C5—C6	118.7 (5)	H54A—C54—H54B	109.5
C4—C5—H5	120.6	N8—C54—H54C	109.5
C6—C5—H5	120.6	H54A—C54—H54C	109.5
C20—C21—C22	118.2 (5)	H54B—C54—H54C	109.5
C20—C21—H21	120.9	O39—C52—N8	127.1 (8)
C22—C21—H21	120.9	O39—C52—H52	116.4
N16—C77A—H77A	109.5	N8—C52—H52	116.4

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