Novel modification of anhydrous transition metal oxalates from powder diffraction

The known metal–C₂O₄ structures may be divided into two modifications, α and β. The α-modification has an order–disorder struxture, revealing one-dimen­sional disordering of the metal–oxalate chains, and the β-modification is ordered. The crystal structures of ortho­rhom­bic γ-MnC₂O₄ {poly[μ-oxalato-manganese(II)]; space group Pmna, a = 7.1333 (1), b = 5.8787 (1), c = 9.0186 (2) Å, V = 378.19 (1) ų, Z = 4 and D_x = 2.511 Mg m⁻³} and γ-CdC₂O₄ {poly[μ-oxalato-cadmium(II)]; space group Pmna, a = 7.3218 (1), b = 6.0231 (1), c = 9.2546 (2) Å, V = 408.13 (1) ų, Z = 4 and D_x = 3.262 Mg m⁻³} have been obtained from powder diffraction patterns. The structures are isostructural. Each metal atom in each structure is coordinated by seven O atoms which belong to five oxalate ions. The crystal packing, which contains noticeable cavities in the [101] and [001] directions, is not close packed and essentially differs from the known disordered α- and ordered β-modifications of transition metal oxalates. This modification seems to be metastable. It was found that a spontaneous γ→β phase transition takes place for γ-CdC₂O₄.

Computing details

For both structures, data collection: Traces (Version 6; GBC Diffraction Ltd); cell refinement: PowderX (Dong, 1999); data reduction: FullProf (Rodriguez-Carvajal, 2010); program(s) used to solve structure: Favre-Nicolin & Čern\`y, 2002); program(s) used to refine structure: FullProf (Rodriguez-Carvajal, 2010); molecular graphics: Mercury (Macrae et al., 2008), Vesta (Momma & Izumi, 2011); software used to prepare material for publication: FullProf (Rodriguez-Carvajal, 2010).

catena-[(µ₆-oxalato)-(µ₄-oxalato)-dimanganese] (I)

Crystal data

[Mn(C2O4)]	F(000) = 276
Mr = 142.96	Dx = 2.511 Mg m^−3
Orthorhombic, Pmna	CuKα, CuKα1, CuKα2 radiation, λ = 1.541837, 1.540598, 1.544426 Å
a = 7.1333 (1) Å	T = 295 K
b = 5.8787 (1) Å	Particle morphology: plate-like
c = 9.0186 (2) Å	white
V = 378.19 (1) Å^3	flat_sheet, 20 × 10 mm
Z = 4	Specimen preparation: Prepared at 293 K and 101.3 kPa

Data collection

Siemens D500 diffractometer	Data collection mode: reflection
Radiation source: sealed X-ray tube	Scan method: step
Graphite monochromator	2θmin = 10°, 2θmax = 110°, 2θstep = 0.02°
Specimen mounting: packed powder pellet

Refinement

Refinement on Inet	Profile function: pseudo-Voigt
Least-squares matrix: full	48 parameters
Rp = 0.073	26 restraints
Rwp = 0.095	Weighting scheme based on measured s.u.'s 1/[σ(Yi)^2]
Rexp = 0.019	(Δ/σ)max = 0.01
RBragg = 0.048	Background function: Chebyshev polynomial
5001 data points	Preferred orientation correction: Modified March-Dollase function (Dollase, W.A. J Appl. Cryst. (1986), 19, 267)

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Mn1	0.5	0.5939 (2)	0.17985 (15)	0.0229 (10)
C3	0.4862 (14)	0.06595 (10)	0.07418 (15)	0.0180 (10)*	.25
O5	0.473 (3)	−0.04771 (14)	0.1897 (2)	0.0180 (10)*	.25
O6	0.5	0.27839 (8)	0.06776 (7)	0.0180 (10)*	.5
C4	0.5140 (14)	−0.06748 (10)	−0.07361 (15)	0.0180 (10)*	.25
O7	0.5	−0.27779 (8)	−0.06802 (7)	0.0180 (10)*	.5
O8	0.528 (3)	0.04884 (14)	−0.1899 (2)	0.0180 (10)*	.25
C2	−0.1072 (4)	0.526 (3)	0	0.0239 (12)*	.25
O4	−0.1800 (7)	0.592 (5)	0.1172 (11)	0.0239 (12)*	.25
O3	−0.1931 (7)	0.479 (5)	−0.1176 (11)	0.0239 (12)*	.25
C1	0.1077 (4)	0.478 (3)	0.0021 (6)	0.0239 (12)*	.25
O1	0.1935 (7)	0.522 (5)	0.1183 (11)	0.0239 (12)*	.25
O2	0.1802 (7)	0.411 (5)	−0.1171 (11)	0.0239 (12)*	.25

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mn1	0.0300 (11)	0.0292 (10)	0.0093 (8)	0	0	0.0040 (11)

Geometric parameters (Å, º)

Mn1—O5^i	2.116 (3)	C2—O4^iii	1.36 (2)
Mn1—O5^ii	2.116 (3)	C2—O4^xii	2.406 (12)
Mn1—O6	2.1131 (18)	C2—O4^viii	2.339 (9)
Mn1—O6^iii	2.3550 (16)	C2—O3	1.256 (12)
Mn1—O7^i	2.3583 (16)	C2—O3^iii	1.225 (10)
Mn1—O7^iv	2.1151 (18)	C2—O3^xii	2.390 (7)
Mn1—O8^iii	2.110 (3)	C2—O3^viii	2.406 (8)
Mn1—O8^v	2.110 (3)	C2—C1	1.558 (6)
Mn1—O4^vi	2.351 (5)	C2—C1^iii	1.533 (4)
Mn1—O4^vii	2.236 (9)	C2—C1^xii	0.026 (18)
Mn1—O4^viii	2.351 (5)	C2—C1^viii	0.28 (2)
Mn1—O4^ix	2.236 (9)	C2—O1	2.396 (7)
Mn1—O3^x	2.299 (8)	C2—O1^iii	2.412 (8)
Mn1—O3^xi	2.327 (10)	C2—O1^xii	1.262 (12)
Mn1—O3^xii	2.299 (8)	C2—O1^viii	1.232 (10)
Mn1—O3^xiii	2.327 (10)	C2—O2	2.402 (12)
Mn1—O1	2.295 (8)	C2—O2^iii	2.337 (9)
Mn1—O1^vii	2.324 (10)	C2—O2^xii	1.236 (14)
Mn1—O1^xiv	2.295 (8)	C2—O2^viii	1.355 (19)
Mn1—O1^ix	2.324 (10)	O4—Mn1^xix	2.351 (5)
Mn1—O2^iii	2.350 (5)	O4—Mn1^vii	2.236 (9)
Mn1—O2^xi	2.238 (9)	O4—C2	1.242 (15)
Mn1—O2^v	2.350 (5)	O4—C2^iii	1.36 (2)
Mn1—O2^xiii	2.238 (9)	O4—C2^xii	2.406 (12)
C3—C3^iv	1.5465 (17)	O4—C2^viii	2.339 (9)
C3—C3^xv	1.559 (2)	O4—O4^iii	2.37 (2)
C3—C3^xiv	0.197 (14)	O4—O4^xx	2.595 (13)
C3—O5	1.241 (3)	O4—O4^viii	2.568 (7)
C3—O5^iv	2.384 (2)	O4—O3	2.223 (18)
C3—O5^xv	2.400 (4)	O4—O3^iii	0.42 (4)
C3—O5^xiv	1.271 (6)	O4—O3^xxi	2.590 (15)
C3—O6	1.2541 (11)	O4—O3^xii	2.693 (9)
C3—O6^iv	2.3971 (11)	O4—C1	2.395 (12)
C3—C4	1.559 (2)	O4—C1^iii	2.353 (9)
C3—C4^iv	0.199 (14)	O4—C1^xii	1.262 (15)
C3—C4^xv	0.010 (2)	O4—C1^viii	1.339 (19)
C3—C4^xiv	1.5466 (17)	O4—O1	2.696 (9)
C3—O7	2.3953 (11)	O4—O1^xii	2.229 (18)
C3—O7^iv	1.2504 (11)	O4—O1^viii	0.42 (4)
C3—O8	2.402 (4)	O4—O1^xxii	2.583 (15)
C3—O8^iv	1.278 (6)	O4—O2^iii	2.569 (7)
C3—O8^xv	1.247 (3)	O4—O2^xii	0.02 (4)
C3—O8^xiv	2.386 (2)	O4—O2^viii	2.37 (2)
O5—Mn1^xvi	2.116 (3)	O4—O2^xxiii	2.596 (13)
O5—C3	1.241 (3)	O3—Mn1^xxiv	2.299 (8)
O5—C3^iv	2.384 (2)	O3—Mn1^xxv	2.327 (10)
O5—C3^xv	2.400 (4)	O3—O6^xxiv	2.654 (16)
O5—C3^xiv	1.271 (6)	O3—O7^xxvi	2.656 (17)
O5—O5^xiv	0.39 (3)	O3—C2	1.256 (12)
O5—O6	2.218 (2)	O3—C2^iii	1.225 (10)
O5—O6^iv	2.696 (2)	O3—C2^xii	2.390 (7)
O5—C4	2.395 (4)	O3—C2^viii	2.406 (8)
O5—C4^iv	1.281 (6)	O3—O4	2.223 (18)
O5—C4^xv	1.250 (3)	O3—O4^iii	0.42 (4)
O5—C4^xiv	2.379 (2)	O3—O4^xxvii	2.590 (15)
O5—O7	2.696 (2)	O3—O4^xii	2.693 (9)
O5—O7^iv	2.214 (2)	O3—O3^iii	2.137 (15)
O5—O8^iv	0.39 (3)	O3—O3^xxviii	2.522 (13)
O5—O8^xv	0.01 (2)	O3—C1	2.402 (7)
O6—Mn1	2.1131 (18)	O3—C1^iii	2.399 (8)
O6—Mn1^iii	2.3550 (16)	O3—C1^xii	1.234 (12)
O6—C3	1.2541 (11)	O3—C1^viii	1.240 (10)
O6—C3^iv	2.3971 (11)	O3—O1^xii	0.007 (13)
O6—C3^xv	2.3971 (11)	O3—O1^viii	2.143 (15)
O6—C3^xiv	1.2541 (11)	O3—O1^xxix	2.515 (13)
O6—O5	2.218 (2)	O3—O2	2.692 (9)
O6—O5^iv	2.696 (2)	O3—O2^xii	2.217 (18)
O6—O5^xv	2.696 (2)	O3—O2^viii	0.40 (4)
O6—O5^xiv	2.218 (2)	O3—O2^xxx	2.588 (15)
O6—C4	2.4020 (11)	C1—C2	1.558 (6)
O6—C4^iv	1.2450 (11)	C1—C2^iii	1.533 (4)
O6—C4^xv	1.2450 (11)	C1—C2^xii	0.026 (18)
O6—C4^xiv	2.4020 (11)	C1—C2^viii	0.28 (2)
O6—O8	2.695 (2)	C1—O4	2.395 (12)
O6—O8^iv	2.226 (2)	C1—O4^iii	2.353 (9)
O6—O8^xv	2.226 (2)	C1—O4^xii	1.262 (15)
O6—O8^xiv	2.695 (2)	C1—O4^viii	1.339 (19)
O6—O3^x	2.654 (16)	C1—O3	2.402 (7)
O6—O3^xii	2.654 (16)	C1—O3^iii	2.399 (8)
O6—O1	2.653 (16)	C1—O3^xii	1.234 (12)
O6—O1^xiv	2.653 (16)	C1—O3^viii	1.240 (10)
C4—C3	1.559 (2)	C1—C1^iii	0.26 (2)
C4—C3^iv	0.199 (14)	C1—C1^xii	1.559 (6)
C4—C3^xv	0.010 (2)	C1—C1^viii	1.537 (4)
C4—C3^xiv	1.5466 (17)	C1—O1	1.241 (12)
C4—O5	2.395 (4)	C1—O1^iii	1.246 (10)
C4—O5^iv	1.281 (6)	C1—O1^xii	2.407 (7)
C4—O5^xv	1.250 (3)	C1—O1^viii	2.404 (8)
C4—O5^xiv	2.379 (2)	C1—O2	1.256 (15)
C4—O6	2.4020 (11)	C1—O2^iii	1.330 (19)
C4—O6^iv	1.2450 (11)	C1—O2^xii	2.391 (12)
C4—C4^iv	1.5467 (17)	C1—O2^viii	2.351 (9)
C4—C4^xv	1.560 (2)	O1—Mn1	2.295 (8)
C4—C4^xiv	0.200 (14)	O1—Mn1^vii	2.324 (10)
C4—O7	1.2414 (11)	O1—O6	2.653 (16)
C4—O7^iv	2.4003 (11)	O1—O7^iv	2.655 (17)
C4—O8	1.256 (3)	O1—C2	2.396 (7)
C4—O8^iv	2.381 (2)	O1—C2^iii	2.412 (8)
C4—O8^xv	2.398 (4)	O1—C2^xii	1.262 (12)
C4—O8^xiv	1.287 (6)	O1—C2^viii	1.232 (10)
O7—Mn1^xvi	2.3583 (16)	O1—O4	2.696 (9)
O7—Mn1^iv	2.1151 (18)	O1—O4^xii	2.229 (18)
O7—C3	2.3953 (11)	O1—O4^viii	0.42 (4)
O7—C3^iv	1.2504 (11)	O1—O4^ix	2.583 (15)
O7—C3^xv	1.2504 (11)	O1—O3^xii	0.007 (13)
O7—C3^xiv	2.3953 (11)	O1—O3^viii	2.143 (15)
O7—O5	2.696 (2)	O1—O3^xiii	2.515 (13)
O7—O5^iv	2.214 (2)	O1—C1	1.241 (12)
O7—O5^xv	2.214 (2)	O1—C1^iii	1.246 (10)
O7—O5^xiv	2.696 (2)	O1—C1^xii	2.407 (7)
O7—C4	1.2414 (11)	O1—C1^viii	2.404 (8)
O7—C4^iv	2.4003 (11)	O1—O1^iii	2.149 (15)
O7—C4^xv	2.4003 (11)	O1—O1^vii	2.509 (13)
O7—C4^xiv	1.2414 (11)	O1—O2	2.223 (18)
O7—O8	2.221 (2)	O1—O2^iii	0.41 (4)
O7—O8^iv	2.695 (2)	O1—O2^xi	2.581 (15)
O7—O8^xv	2.695 (2)	O1—O2^xii	2.695 (9)
O7—O8^xiv	2.221 (2)	O2—Mn1^iii	2.350 (5)
O7—O3^xvii	2.656 (17)	O2—Mn1^xxv	2.238 (9)
O7—O3^xviii	2.656 (17)	O2—C2	2.402 (12)
O7—O1^iv	2.655 (17)	O2—C2^iii	2.337 (9)
O7—O1^xv	2.655 (17)	O2—C2^xii	1.236 (14)
O8—Mn1^iii	2.110 (3)	O2—C2^viii	1.355 (19)
O8—C3	2.402 (4)	O2—O4^iii	2.569 (7)
O8—C3^iv	1.278 (6)	O2—O4^xii	0.02 (4)
O8—C3^xv	1.247 (3)	O2—O4^viii	2.37 (2)
O8—C3^xiv	2.386 (2)	O2—O4^xxxi	2.596 (13)
O8—O5^iv	0.39 (3)	O2—O3	2.692 (9)
O8—O5^xv	0.01 (2)	O2—O3^xii	2.217 (18)
O8—O6	2.695 (2)	O2—O3^viii	0.40 (4)
O8—O6^iv	2.226 (2)	O2—O3^xxxii	2.588 (15)
O8—C4	1.256 (3)	O2—C1	1.256 (15)
O8—C4^iv	2.381 (2)	O2—C1^iii	1.330 (19)
O8—C4^xv	2.398 (4)	O2—C1^xii	2.391 (12)
O8—C4^xiv	1.287 (6)	O2—C1^viii	2.351 (9)
O8—O7	2.221 (2)	O2—O1	2.223 (18)
O8—O7^iv	2.695 (2)	O2—O1^iii	0.41 (4)
O8—O8^xiv	0.40 (3)	O2—O1^xxv	2.581 (15)
C2—C2^iii	0.29 (2)	O2—O1^xii	2.695 (9)
C2—C2^xii	1.557 (6)	O2—O2^iii	2.36 (2)
C2—C2^viii	1.529 (4)	O2—O2^xxxiii	2.596 (13)
C2—O4	1.242 (15)	O2—O2^viii	2.571 (7)
O5^i—Mn1—O7^i	73.88 (11)	C3^xiv—O7—O3^xviii	125.5 (10)
O5^i—Mn1—O4^vi	96.0 (10)	C3^xiv—O7—O1^iv	125.6 (10)
O5^i—Mn1—O1	96.2 (10)	C3^xiv—O7—O1^xv	120.9 (10)
O5^ii—Mn1—O6	153.39 (12)	O5—O7—O3^xvii	118.4 (9)
O5^i—Mn1—O6	153.39 (12)	O5—O7—O3^xviii	110.9 (9)
O6—Mn1—O7^i	80.06 (7)	O5—O7—O1^iv	111.1 (9)
O6—Mn1—O4^vi	83.1 (7)	O5—O7—O1^xv	118.5 (9)
O6—Mn1—O1^xiv	73.9 (6)	O5^iv—O7—O3^xviii	108.2 (11)
O6—Mn1—O1	73.9 (6)	O5^iv—O7—O1^iv	108.1 (11)
O6^iii—Mn1—O7^iv	80.10 (7)	O5^iv—O7—O1^xv	117.0 (11)
O6^iii—Mn1—O8^iii	74.00 (11)	O5^xv—O7—O3^xvii	108.2 (11)
O6^iii—Mn1—O3^x	80.1 (5)	O5^xv—O7—O3^xviii	117.1 (11)
O6^iii—Mn1—O2^iii	77.1 (3)	O5^xv—O7—O1^iv	117.0 (11)
O7^i—Mn1—O4^vi	77.0 (3)	O5^xv—O7—O1^xv	108.1 (11)
O7^i—Mn1—O1	80.2 (5)	O5^xiv—O7—O3^xvii	110.9 (9)
O7^iv—Mn1—O8^iii	153.51 (12)	O5^xiv—O7—O3^xviii	118.4 (9)
O7^iv—Mn1—O3^x	73.8 (6)	O5^xiv—O7—O1^iv	118.5 (9)
O7^iv—Mn1—O2^iii	82.8 (7)	O5^xiv—O7—O1^xv	111.1 (9)
O8^iii—Mn1—O2^iii	96.6 (10)	C4—O7—O3^xvii	117.7 (15)
O8^v—Mn1—O3^xii	96.0 (10)	C4—O7—O3^xviii	126.7 (15)
O5^ii—Mn1—O4^viii	96.0 (10)	C4—O7—O1^iv	126.7 (15)
O8^iii—Mn1—O3^x	96.0 (10)	C4—O7—O1^xv	117.7 (15)
O4^vi—Mn1—O1	150.0 (4)	C4^iv—O7—O3^xvii	120.8 (10)
O4^viii—Mn1—O1^xiv	150.0 (4)	C4^iv—O7—O3^xviii	125.5 (10)
O4^vii—Mn1—O1^vii	72.4 (4)	C4^iv—O7—O1^iv	125.6 (10)
O3^x—Mn1—O2^iii	149.7 (4)	C4^iv—O7—O1^xv	120.9 (10)
O3^xi—Mn1—O2^xi	72.2 (4)	C4^xv—O7—O3^xvii	125.5 (10)
O5—C3—O6	125.5 (2)	C4^xv—O7—O3^xviii	120.8 (10)
O5—C3—C4	117.2 (3)	C4^xv—O7—O1^iv	120.9 (10)
O6—C3—C4	116.84 (13)	C4^xv—O7—O1^xv	125.6 (10)
C3—C4—O7	117.13 (13)	C4^xiv—O7—O3^xvii	126.7 (15)
C3—C4—O8	116.7 (3)	C4^xiv—O7—O3^xviii	117.7 (15)
O7—C4—O8	125.6 (2)	C4^xiv—O7—O1^iv	117.7 (15)
O7^iv—C3—O8^xv	125.6 (2)	C4^xiv—O7—O1^xv	126.7 (15)
O4—C2—O3	125.8 (17)	O8—O7—O3^xvii	108.0 (11)
O4—C2—C1	117.2 (11)	O8—O7—O3^xviii	117.3 (11)
O8^iv—O6—O3^xii	117.2 (11)	O8—O7—O1^iv	117.2 (11)
O3—C2—C1	116.8 (8)	O8—O7—O1^xv	108.0 (11)
C2—C1—O1	117.3 (8)	O8^iv—O7—O3^xvii	110.7 (9)
C2—C1—O3^xii	117.3 (8)	O8^iv—O7—O3^xviii	118.5 (9)
C2—C1—O2	116.8 (11)	O8^iv—O7—O1^iv	118.6 (9)
O4—C2—O1^xii	125.8 (17)	O8^iv—O7—O1^xv	110.9 (9)
O1—C1—O2	125.8 (17)	O8^xv—O7—O3^xvii	118.5 (9)
O5^i—Mn1—O6^iii	73.94 (11)	O8^xv—O7—O3^xviii	110.7 (9)
O5^i—Mn1—O7^iv	153.49 (12)	O8^xv—O7—O1^iv	110.9 (9)
O5^i—Mn1—O4^vii	91.3 (9)	O8^xv—O7—O1^xv	118.6 (9)
O5^i—Mn1—O4^viii	85.8 (9)	O8^xiv—O7—O3^xvii	117.3 (11)
O5^i—Mn1—O4^ix	85.3 (9)	O8^xiv—O7—O3^xviii	108.0 (11)
O5^i—Mn1—O3^x	106.3 (11)	O8^xiv—O7—O1^iv	108.0 (11)
O5^i—Mn1—O3^xi	101.6 (10)	O8^xiv—O7—O1^xv	117.2 (11)
O5^i—Mn1—O3^xii	96.1 (10)	O3^xvii—O7—O3^xviii	111.0 (6)
O5^i—Mn1—O3^xiii	95.4 (10)	O3^xvii—O7—O1^iv	111.0 (6)
O5^i—Mn1—O1^vii	95.4 (10)	O3^xviii—O7—O1^xv	111.0 (6)
O5^i—Mn1—O1^xiv	106.3 (11)	O1^iv—O7—O1^xv	110.9 (6)
O5^i—Mn1—O1^ix	101.7 (10)	C2^xii—C2—O4	118.1 (11)
O5^i—Mn1—O2^iii	86.2 (9)	C2^xii—C2—O4^iii	106.2 (10)
O5^i—Mn1—O2^xi	85.8 (9)	C2^xii—C2—O3	116.0 (8)
O5^i—Mn1—O2^v	96.4 (10)	C2^xii—C2—O3^iii	119.2 (8)
O5^i—Mn1—O2^xiii	91.8 (9)	C2^xii—C2—O1^xii	115.9 (8)
O5^ii—Mn1—O6^iii	73.94 (11)	C2^xii—C2—O1^viii	119.2 (8)
O5^ii—Mn1—O7^i	73.88 (11)	C2^xii—C2—O2^xii	118.1 (11)
O5^ii—Mn1—O7^iv	153.49 (12)	C2^xii—C2—O2^viii	106.5 (10)
O5^ii—Mn1—O4^vi	85.8 (9)	C2^viii—C2—O4	114.7 (10)
O5^ii—Mn1—O4^vii	85.3 (9)	C2^viii—C2—O4^iii	112.4 (12)
O5^ii—Mn1—O4^ix	91.3 (9)	C2^viii—C2—O3	119.2 (8)
O5^ii—Mn1—O3^x	96.1 (10)	C2^viii—C2—O3^iii	120.0 (7)
O5^ii—Mn1—O3^xi	95.4 (10)	C2^viii—C2—O1^xii	119.2 (8)
O5^ii—Mn1—O3^xii	106.3 (11)	C2^viii—C2—O1^viii	120.0 (7)
O5^ii—Mn1—O3^xiii	101.6 (10)	C2^viii—C2—O2^xii	114.9 (9)
O5^ii—Mn1—O1	106.3 (11)	C2^viii—C2—O2^viii	112.6 (11)
O5^ii—Mn1—O1^vii	101.7 (10)	O4—C2—O4^xii	145.2 (13)
O5^ii—Mn1—O1^xiv	96.2 (10)	O4—C2—O3^viii	141.6 (11)
O5^ii—Mn1—O1^ix	95.4 (10)	O4—C2—C1^iii	115.6 (10)
O5^ii—Mn1—O2^iii	96.4 (10)	O4—C2—O1^iii	141.7 (11)
O5^ii—Mn1—O2^xi	91.8 (9)	O4—C2—O2	145.1 (13)
O5^ii—Mn1—O2^v	86.2 (9)	O4^iii—C2—O4^viii	140.2 (13)
O5^ii—Mn1—O2^xiii	85.8 (9)	O4^iii—C2—O3^iii	118.2 (17)
O6—Mn1—O6^iii	80.00 (7)	O4^iii—C2—O3^xii	133.0 (12)
O6—Mn1—O8^iii	153.41 (12)	O4^iii—C2—C1	107.1 (10)
O6—Mn1—O8^v	153.41 (12)	O4^iii—C2—C1^iii	111.4 (11)
O6—Mn1—O4^vii	112.7 (8)	O4^iii—C2—O1	133.0 (11)
O6—Mn1—O4^viii	83.1 (7)	O4^iii—C2—O1^viii	118.3 (17)
O6—Mn1—O4^ix	112.7 (8)	O4^iii—C2—O2^iii	140.0 (13)
O6—Mn1—O3^x	73.8 (6)	O4^xii—C2—O3^iii	143.3 (10)
O6—Mn1—O3^xi	102.4 (6)	O4^xii—C2—O1^viii	143.3 (10)
O6—Mn1—O3^xii	73.8 (6)	O4^xii—C2—O2^xii	145.2 (13)
O6—Mn1—O3^xiii	102.4 (6)	O4^viii—C2—O3	147.8 (11)
O6—Mn1—O1^vii	102.4 (6)	O4^viii—C2—O1^xii	147.8 (11)
O6—Mn1—O1^ix	102.4 (6)	O4^viii—C2—O2^viii	140.6 (13)
O6—Mn1—O2^iii	82.8 (7)	O3—C2—O3^iii	118.9 (14)
O6—Mn1—O2^xi	112.3 (8)	O3—C2—O3^xii	144.1 (9)
O6—Mn1—O2^v	82.8 (7)	O3—C2—C1^iii	118.4 (8)
O6—Mn1—O2^xiii	112.3 (8)	O3—C2—O1	144.2 (9)
O6^iii—Mn1—O8^v	74.00 (11)	O3—C2—O1^viii	119.0 (14)
O6^iii—Mn1—O4^vi	76.9 (3)	O3—C2—O2^iii	147.7 (11)
O6^iii—Mn1—O4^vii	141.1 (6)	O3—C2—O2^xii	125.7 (17)
O6^iii—Mn1—O4^viii	76.9 (3)	O3^iii—C2—O3^viii	145.6 (9)
O6^iii—Mn1—O4^ix	141.1 (6)	O3^iii—C2—C1	118.6 (8)
O6^iii—Mn1—O3^xi	143.4 (6)	O3^iii—C2—C1^iii	120.7 (7)
O6^iii—Mn1—O3^xii	80.1 (5)	O3^iii—C2—O1^iii	145.7 (9)
O6^iii—Mn1—O3^xiii	143.4 (6)	O3^iii—C2—O1^xii	119.0 (14)
O6^iii—Mn1—O1	80.2 (5)	O3^iii—C2—O2	143.5 (10)
O6^iii—Mn1—O1^vii	143.2 (6)	O3^iii—C2—O2^viii	118.4 (17)
O6^iii—Mn1—O1^xiv	80.2 (5)	O3^xii—C2—O1^xii	144.1 (9)
O6^iii—Mn1—O1^ix	143.2 (6)	O3^xii—C2—O2^viii	133.4 (11)
O6^iii—Mn1—O2^xi	141.3 (6)	O3^viii—C2—O1^viii	145.6 (9)
O6^iii—Mn1—O2^v	77.1 (3)	O3^viii—C2—O2^xii	141.9 (11)
O6^iii—Mn1—O2^xiii	141.3 (6)	C1—C2—O1^xii	116.8 (8)
O7^i—Mn1—O7^iv	80.16 (7)	C1—C2—O1^viii	118.6 (8)
O7^i—Mn1—O8^iii	73.94 (11)	C1—C2—O2^xii	117.3 (11)
O7^i—Mn1—O8^v	73.94 (11)	C1—C2—O2^viii	107.5 (10)
O7^i—Mn1—O4^vii	141.0 (6)	C1^iii—C2—O1^xii	118.3 (8)
O7^i—Mn1—O4^viii	77.0 (3)	C1^iii—C2—O1^viii	120.7 (7)
O7^i—Mn1—O4^ix	141.0 (6)	C1^iii—C2—O2^xii	115.8 (9)
O7^i—Mn1—O3^x	80.1 (5)	C1^iii—C2—O2^viii	111.7 (11)
O7^i—Mn1—O3^xi	143.3 (6)	O1—C2—O1^xii	144.2 (9)
O7^i—Mn1—O3^xii	80.1 (5)	O1—C2—O2^viii	133.4 (11)
O7^i—Mn1—O3^xiii	143.3 (6)	O1^iii—C2—O1^viii	145.7 (9)
O7^i—Mn1—O1^vii	143.2 (6)	O1^iii—C2—O2^xii	142.0 (11)
O7^i—Mn1—O1^xiv	80.2 (5)	O1^xii—C2—O1^viii	119.0 (14)
O7^i—Mn1—O1^ix	143.2 (6)	O1^xii—C2—O2^iii	147.7 (11)
O7^i—Mn1—O2^iii	77.1 (3)	O1^xii—C2—O2^xii	125.7 (17)
O7^i—Mn1—O2^xi	141.3 (6)	O1^viii—C2—O2	143.5 (10)
O7^i—Mn1—O2^v	77.1 (3)	O1^viii—C2—O2^viii	118.4 (17)
O7^i—Mn1—O2^xiii	141.3 (6)	O2—C2—O2^xii	145.1 (13)
O7^iv—Mn1—O8^v	153.51 (12)	O2^iii—C2—O2^viii	140.3 (13)
O7^iv—Mn1—O4^vi	83.2 (7)	C2—O4—O4^xx	161.2 (11)
O7^iv—Mn1—O4^vii	112.7 (8)	C2—O4—O3^xxi	151.9 (10)
O7^iv—Mn1—O4^viii	83.2 (7)	C2—O4—O1^xxii	151.8 (10)
O7^iv—Mn1—O4^ix	112.7 (8)	C2—O4—O2^xxiii	160.8 (11)
O7^iv—Mn1—O3^xi	102.4 (6)	C2^iii—O4—O4^xx	149.5 (11)
O7^iv—Mn1—O3^xii	73.8 (6)	C2^iii—O4—O3^xxi	140.2 (11)
O7^iv—Mn1—O3^xiii	102.4 (6)	C2^iii—O4—O1^xxii	140.2 (11)
O7^iv—Mn1—O1	73.9 (6)	C2^iii—O4—O2^xxiii	149.1 (11)
O7^iv—Mn1—O1^vii	102.3 (6)	C2^xii—O4—O4^xx	137.2 (6)
O7^iv—Mn1—O1^xiv	73.9 (6)	C2^xii—O4—O3^xxi	131.1 (6)
O7^iv—Mn1—O1^ix	102.3 (6)	C2^xii—O4—O1^xxii	131.1 (6)
O7^iv—Mn1—O2^xi	112.2 (8)	C2^xii—O4—O2^xxiii	137.0 (6)
O7^iv—Mn1—O2^v	82.8 (7)	C2^viii—O4—O4^xx	139.0 (6)
O7^iv—Mn1—O2^xiii	112.2 (8)	C2^viii—O4—O3^xxi	134.2 (6)
O8^iii—Mn1—O4^vi	85.6 (9)	C2^viii—O4—O1^xxii	134.1 (6)
O8^iii—Mn1—O4^vii	85.2 (9)	C2^viii—O4—O2^xxiii	138.8 (6)
O8^iii—Mn1—O4^viii	96.2 (10)	O4^iii—O4—O4^xx	145.3 (10)
O8^iii—Mn1—O4^ix	91.4 (9)	O4^iii—O4—O3^xxi	138.6 (9)
O8^iii—Mn1—O3^xi	95.2 (10)	O4^iii—O4—O1^xxii	138.5 (9)
O8^iii—Mn1—O3^xii	106.5 (11)	O4^iii—O4—O2^xxiii	145.0 (10)
O8^iii—Mn1—O3^xiii	101.7 (10)	O4^xx—O4—O4^viii	112.6 (5)
O8^iii—Mn1—O1	106.5 (11)	O4^xx—O4—O3	149.7 (9)
O8^iii—Mn1—O1^vii	101.8 (10)	O4^xx—O4—O3^xii	112.3 (5)
O8^iii—Mn1—O1^xiv	96.0 (10)	O4^xx—O4—C1	136.9 (6)
O8^iii—Mn1—O1^ix	95.2 (10)	O4^xx—O4—C1^iii	139.2 (6)
O8^iii—Mn1—O2^xi	91.8 (9)	O4^xx—O4—C1^xii	160.7 (10)
O8^iii—Mn1—O2^v	86.1 (9)	O4^xx—O4—C1^viii	149.7 (12)
O8^iii—Mn1—O2^xiii	85.6 (9)	O4^xx—O4—O1	112.1 (5)
O8^v—Mn1—O4^vi	96.2 (10)	O4^xx—O4—O1^xii	149.6 (9)
O8^v—Mn1—O4^vii	91.4 (9)	O4^xx—O4—O2^iii	112.7 (5)
O8^v—Mn1—O4^viii	85.6 (9)	O4^xx—O4—O2^viii	145.5 (10)
O8^v—Mn1—O4^ix	85.2 (9)	O4^viii—O4—O3^xxi	110.5 (5)
O8^v—Mn1—O3^x	106.5 (11)	O4^viii—O4—O1^xxii	110.4 (5)
O8^v—Mn1—O3^xi	101.7 (10)	O4^viii—O4—O2^xxiii	112.6 (5)
O8^v—Mn1—O3^xiii	95.2 (10)	O3—O4—O3^xxi	144.8 (9)
O8^v—Mn1—O1	96.0 (10)	O3—O4—O1^xxii	144.8 (9)
O8^v—Mn1—O1^vii	95.2 (10)	O3—O4—O2^xxiii	149.5 (9)
O8^v—Mn1—O1^xiv	106.5 (11)	O3^xxi—O4—O3^xii	108.7 (5)
O8^v—Mn1—O1^ix	101.8 (10)	O3^xxi—O4—C1	130.9 (6)
O8^v—Mn1—O2^iii	86.1 (9)	O3^xxi—O4—C1^iii	134.4 (6)
O8^v—Mn1—O2^xi	85.6 (9)	O3^xxi—O4—C1^xii	151.4 (10)
O8^v—Mn1—O2^v	96.6 (10)	O3^xxi—O4—C1^viii	140.4 (11)
O8^v—Mn1—O2^xiii	91.8 (9)	O3^xxi—O4—O1	108.5 (5)
O4^vi—Mn1—O4^vii	68.8 (5)	O3^xxi—O4—O1^xii	144.8 (9)
O4^vi—Mn1—O4^viii	152.2 (4)	O3^xxi—O4—O2^iii	110.4 (5)
O4^vi—Mn1—O4^ix	138.9 (5)	O3^xxi—O4—O2^viii	138.9 (9)
O4^vi—Mn1—O3^xi	67.2 (5)	O3^xii—O4—O1^xxii	108.6 (5)
O4^vi—Mn1—O3^xii	149.9 (4)	O3^xii—O4—O2^xxiii	112.2 (5)
O4^vi—Mn1—O3^xiii	139.6 (6)	C1—O4—O1^xxii	130.9 (6)
O4^vi—Mn1—O1^vii	139.8 (6)	C1—O4—O2^xxiii	136.7 (6)
O4^vi—Mn1—O1^ix	67.1 (5)	C1^iii—O4—O1^xxii	134.3 (6)
O4^vi—Mn1—O2^iii	152.2 (4)	C1^iii—O4—O2^xxiii	139.1 (6)
O4^vi—Mn1—O2^xi	138.9 (5)	C1^xii—O4—O1^xxii	151.4 (10)
O4^vi—Mn1—O2^xiii	68.8 (5)	C1^xii—O4—O2^xxiii	160.4 (10)
O4^vii—Mn1—O4^viii	138.9 (5)	C1^viii—O4—O1^xxii	140.4 (11)
O4^vii—Mn1—O4^ix	70.1 (4)	O1—O4—O1^xxii	108.5 (5)
O4^vii—Mn1—O3^x	69.6 (5)	O1—O4—O2^xxiii	112.0 (5)
O4^vii—Mn1—O3^xii	138.2 (6)	O1^xii—O4—O1^xxii	144.8 (9)
O4^vii—Mn1—O3^xiii	72.3 (4)	O1^xii—O4—O2^xxiii	149.4 (9)
O4^vii—Mn1—O1	138.1 (6)	O1^xxii—O4—O2^iii	110.4 (5)
O4^vii—Mn1—O1^xiv	69.5 (5)	O1^xxii—O4—O2^viii	138.8 (9)
O4^vii—Mn1—O2^iii	138.9 (5)	O2^iii—O4—O2^xxiii	112.6 (5)
O4^vii—Mn1—O2^xi	70.1 (4)	O2^viii—O4—O2^xxiii	145.2 (9)
O4^vii—Mn1—O2^v	68.9 (5)	O6^xxiv—O3—C2^iii	105.9 (8)
O4^viii—Mn1—O4^ix	68.8 (5)	O6^xxiv—O3—C2^xii	131.9 (5)
O4^viii—Mn1—O3^x	149.9 (4)	O6^xxiv—O3—C2^viii	126.7 (5)
O4^viii—Mn1—O3^xi	139.6 (6)	O6^xxiv—O3—O4^xii	153.8 (6)
O4^viii—Mn1—O3^xiii	67.2 (5)	O6^xxiv—O3—C1	131.4 (5)
O4^viii—Mn1—O1^vii	67.1 (5)	O6^xxiv—O3—C1^iii	127.3 (5)
O4^viii—Mn1—O1^ix	139.8 (6)	O6^xxiv—O3—C1^viii	104.9 (8)
O4^viii—Mn1—O2^xi	68.8 (5)	O6^xxiv—O3—O2	153.4 (6)
O4^viii—Mn1—O2^v	152.2 (4)	O7^xxvi—O3—C2^iii	105.9 (8)
O4^viii—Mn1—O2^xiii	138.9 (5)	O7^xxvi—O3—C2^xii	131.9 (5)
O4^ix—Mn1—O3^x	138.2 (6)	O7^xxvi—O3—C2^viii	126.7 (5)
O4^ix—Mn1—O3^xi	72.3 (4)	O7^xxvi—O3—O4^xii	153.8 (6)
O4^ix—Mn1—O3^xii	69.6 (5)	O7^xxvi—O3—C1	131.4 (5)
O4^ix—Mn1—O1	69.5 (5)	O7^xxvi—O3—C1^iii	127.3 (5)
O4^ix—Mn1—O1^xiv	138.1 (6)	O7^xxvi—O3—C1^viii	105.0 (8)
O4^ix—Mn1—O1^ix	72.4 (4)	O7^xxvi—O3—O2	153.4 (6)
O4^ix—Mn1—O2^iii	68.9 (5)	C2—O3—O3^xxviii	163.1 (10)
O4^ix—Mn1—O2^v	138.9 (5)	C2—O3—O1^xxix	163.1 (10)
O4^ix—Mn1—O2^xiii	70.1 (4)	C2^xii—O3—O4^xxvii	136.2 (6)
O3^x—Mn1—O3^xi	66.1 (5)	C2^xii—O3—O3^xxviii	135.1 (5)
O3^x—Mn1—O3^xii	144.4 (4)	C2^xii—O3—O1^xxix	135.1 (5)
O3^x—Mn1—O3^xiii	136.2 (5)	C2^xii—O3—O2^xxx	136.2 (6)
O3^x—Mn1—O1	144.5 (4)	C2^viii—O3—O4^xxvii	137.4 (6)
O3^x—Mn1—O1^vii	136.3 (5)	C2^viii—O3—O3^xxviii	134.7 (5)
O3^x—Mn1—O1^ix	65.9 (5)	C2^viii—O3—O1^xxix	134.7 (5)
O3^x—Mn1—O2^xi	138.1 (6)	C2^viii—O3—O2^xxx	137.4 (6)
O3^x—Mn1—O2^xiii	69.5 (5)	O4—O3—O3^xxviii	156.3 (9)
O3^xi—Mn1—O3^xii	136.2 (5)	O4—O3—O1^xxix	156.3 (9)
O3^xi—Mn1—O3^xiii	72.6 (4)	O4^xxvii—O3—O4^xii	108.8 (5)
O3^xi—Mn1—O1	136.0 (5)	O4^xxvii—O3—O3^iii	159.4 (9)
O3^xi—Mn1—O1^vii	72.7 (4)	O4^xxvii—O3—C1	136.7 (6)
O3^xi—Mn1—O1^xiv	65.9 (5)	O4^xxvii—O3—C1^iii	136.9 (6)
O3^xi—Mn1—O2^iii	139.5 (6)	O4^xxvii—O3—O1^viii	159.3 (9)
O3^xi—Mn1—O2^v	67.2 (5)	O4^xxvii—O3—O2	108.9 (5)
O3^xii—Mn1—O3^xiii	66.1 (5)	O4^xxvii—O3—O2^xii	160.5 (10)
O3^xii—Mn1—O1^vii	65.9 (5)	O4^xii—O3—O3^xxviii	108.6 (5)
O3^xii—Mn1—O1^xiv	144.5 (4)	O4^xii—O3—O1^xxix	108.6 (5)
O3^xii—Mn1—O1^ix	136.3 (5)	O4^xii—O3—O2^xxx	108.9 (5)
O3^xii—Mn1—O2^xi	69.5 (5)	O3^iii—O3—O2^xxx	159.4 (9)
O3^xii—Mn1—O2^v	149.7 (4)	O3^xxviii—O3—C1	135.5 (5)
O3^xii—Mn1—O2^xiii	138.1 (6)	O3^xxviii—O3—C1^iii	134.3 (5)
O3^xiii—Mn1—O1	65.9 (5)	O3^xxviii—O3—C1^xii	163.3 (10)
O3^xiii—Mn1—O1^xiv	136.0 (5)	O3^xxviii—O3—C1^viii	169.3 (9)
O3^xiii—Mn1—O1^ix	72.7 (4)	O3^xxviii—O3—O1^viii	160.0 (8)
O3^xiii—Mn1—O2^iii	67.2 (5)	O3^xxviii—O3—O2	108.7 (5)
O3^xiii—Mn1—O2^v	139.5 (6)	O3^xxviii—O3—O2^xii	156.5 (9)
O3^xiii—Mn1—O2^xiii	72.2 (4)	C1—O3—O1^xxix	135.5 (5)
O1—Mn1—O1^vii	65.8 (5)	C1—O3—O2^xxx	136.7 (6)
O1—Mn1—O1^xiv	144.6 (4)	C1^iii—O3—O1^xxix	134.3 (5)
O1—Mn1—O1^ix	136.2 (5)	C1^iii—O3—O2^xxx	136.9 (6)
O1—Mn1—O2^xi	69.4 (5)	C1^xii—O3—O1^xxix	163.3 (10)
O1—Mn1—O2^v	149.8 (4)	O1^viii—O3—O2^xxx	159.3 (9)
O1—Mn1—O2^xiii	137.9 (6)	O1^xxix—O3—O2	108.6 (5)
O1^vii—Mn1—O1^xiv	136.2 (5)	O1^xxix—O3—O2^xii	156.6 (9)
O1^vii—Mn1—O1^ix	72.9 (4)	O2—O3—O2^xxx	109.0 (5)
O1^vii—Mn1—O2^iii	67.0 (5)	O2^xii—O3—O2^xxx	160.4 (10)
O1^vii—Mn1—O2^v	139.7 (6)	C2—C1—O4^xii	116.7 (11)
O1^vii—Mn1—O2^xiii	72.4 (4)	C2—C1—O4^viii	107.4 (10)
O1^xiv—Mn1—O1^ix	65.8 (5)	C2—C1—O3^viii	118.2 (8)
O1^xiv—Mn1—O2^iii	149.8 (4)	C2—C1—O1^iii	118.2 (8)
O1^xiv—Mn1—O2^xi	137.9 (6)	C2—C1—O2^iii	107.8 (10)
O1^xiv—Mn1—O2^xiii	69.4 (5)	C2^iii—C1—O4^xii	113.2 (9)
O1^ix—Mn1—O2^iii	139.7 (6)	C2^iii—C1—O4^viii	113.6 (12)
O1^ix—Mn1—O2^xi	72.4 (4)	C2^iii—C1—O3^xii	120.4 (8)
O1^ix—Mn1—O2^v	67.0 (5)	C2^iii—C1—O3^viii	118.7 (7)
O2^iii—Mn1—O2^xi	68.9 (5)	C2^iii—C1—O1	120.4 (8)
O2^iii—Mn1—O2^v	152.1 (4)	C2^iii—C1—O1^iii	118.7 (7)
O2^iii—Mn1—O2^xiii	138.9 (5)	C2^iii—C1—O2	113.4 (9)
O2^xi—Mn1—O2^v	138.9 (5)	C2^iii—C1—O2^iii	113.8 (12)
O2^xi—Mn1—O2^xiii	70.1 (4)	O4—C1—O4^xii	144.2 (13)
O2^v—Mn1—O2^xiii	68.9 (5)	O4—C1—O3^viii	143.0 (10)
C3^iv—C3—O5	117.1 (2)	O4—C1—O1^iii	143.0 (10)
C3^iv—C3—O5^xiv	116.5 (4)	O4—C1—O2	144.2 (13)
C3^iv—C3—O6	117.35 (11)	O4^iii—C1—O4^viii	141.1 (13)
C3^iv—C3—O7^iv	117.45 (11)	O4^iii—C1—O3^xii	148.5 (11)
C3^iv—C3—O8^iv	116.2 (4)	O4^iii—C1—O1	148.5 (11)
C3^iv—C3—O8^xv	116.9 (2)	O4^iii—C1—O2^iii	141.4 (13)
C3^xv—C3—O5	117.5 (3)	O4^xii—C1—O3^iii	140.4 (11)
C3^xv—C3—O5^xiv	114.4 (3)	O4^xii—C1—O3^xii	125.9 (17)
C3^xv—C3—O6	116.47 (13)	O4^xii—C1—C1^xii	115.9 (11)
C3^xv—C3—O7^iv	116.57 (13)	O4^xii—C1—C1^viii	114.1 (10)
C3^xv—C3—O8^iv	114.1 (3)	O4^xii—C1—O1	125.9 (17)
C3^xv—C3—O8^xv	117.4 (3)	O4^xii—C1—O1^viii	140.5 (11)
O5—C3—O5^iv	144.2 (2)	O4^xii—C1—O2^xii	144.1 (13)
O5—C3—O5^xv	144.8 (3)	O4^viii—C1—O3	133.8 (12)
O5—C3—C4^xiv	116.8 (2)	O4^viii—C1—O3^viii	119.1 (17)
O5—C3—O7^iv	125.4 (2)	O4^viii—C1—C1^xii	108.4 (10)
O5—C3—O8	145.0 (3)	O4^viii—C1—C1^viii	112.7 (12)
O5—C3—O8^xiv	144.3 (2)	O4^viii—C1—O1^iii	119.1 (17)
O5^iv—C3—O5^xiv	143.5 (4)	O4^viii—C1—O1^xii	133.9 (12)
O5^iv—C3—O8^iv	143.2 (4)	O4^viii—C1—O2^viii	140.8 (13)
O5^iv—C3—O8^xv	143.9 (2)	O3—C1—O3^xii	145.1 (9)
O5^xv—C3—O5^xiv	139.6 (3)	O3—C1—O1	145.1 (9)
O5^xv—C3—O8^iv	139.3 (3)	O3—C1—O2^iii	134.3 (12)
O5^xv—C3—O8^xv	144.6 (3)	O3^iii—C1—O3^viii	144.9 (9)
O5^xiv—C3—O6	122.9 (3)	O3^iii—C1—O1^iii	144.8 (9)
O5^xiv—C3—C4	114.0 (3)	O3^iii—C1—O2	140.7 (11)
O5^xiv—C3—C4^xiv	116.1 (4)	O3^xii—C1—O3^viii	119.5 (14)
O5^xiv—C3—O7^iv	122.8 (3)	O3^xii—C1—C1^xii	118.2 (8)
O5^xiv—C3—O8	139.6 (3)	O3^xii—C1—C1^viii	119.6 (8)
O5^xiv—C3—O8^xiv	143.7 (4)	O3^xii—C1—O1^iii	119.5 (14)
O6—C3—O6^iv	144.40 (7)	O3^xii—C1—O1^xii	145.2 (9)
O6—C3—C4^xiv	117.73 (11)	O3^xii—C1—O2	125.8 (17)
O6—C3—O7	144.31 (7)	O3^xii—C1—O2^viii	148.4 (11)
O6—C3—O8^iv	123.0 (3)	O3^viii—C1—C1^xii	117.6 (8)
O6—C3—O8^xv	125.7 (2)	O3^viii—C1—C1^viii	119.4 (7)
O6^iv—C3—O7^iv	144.49 (7)	O3^viii—C1—O1	119.5 (14)
C4—C3—O7^iv	116.94 (13)	O3^viii—C1—O1^viii	145.0 (9)
C4—C3—O8^iv	113.8 (3)	O3^viii—C1—O2^iii	119.2 (17)
C4—C3—O8^xv	117.0 (3)	O3^viii—C1—O2^xii	143.1 (10)
C4^xiv—C3—O7^iv	117.83 (11)	C1^xii—C1—O1	118.2 (8)
C4^xiv—C3—O8^iv	115.9 (4)	C1^xii—C1—O1^iii	117.6 (8)
C4^xiv—C3—O8^xv	116.5 (2)	C1^xii—C1—O2	115.9 (11)
O7—C3—O7^iv	144.40 (7)	C1^xii—C1—O2^iii	108.7 (10)
O7^iv—C3—O8^iv	122.9 (3)	C1^viii—C1—O1	119.6 (8)
O8—C3—O8^iv	139.3 (3)	C1^viii—C1—O1^iii	119.4 (7)
O8—C3—O8^xv	144.8 (3)	C1^viii—C1—O2	114.3 (9)
O8^iv—C3—O8^xiv	143.4 (4)	C1^viii—C1—O2^iii	112.9 (11)
O8^xv—C3—O8^xiv	144.0 (2)	O1—C1—O1^iii	119.6 (14)
C3—O6—O3^x	126.5 (15)	O1—C1—O1^xii	145.2 (9)
C3—O6—O3^xii	117.7 (15)	O1—C1—O2^viii	148.4 (11)
C3—O6—O1	117.7 (15)	O1^iii—C1—O1^viii	144.9 (9)
C3—O6—O1^xiv	126.5 (15)	O1^iii—C1—O2^iii	119.2 (17)
C3^iv—O6—O3^x	125.4 (10)	O1^iii—C1—O2^xii	143.1 (10)
C3^iv—O6—O3^xii	120.8 (10)	O1^xii—C1—O2^iii	134.3 (12)
C3^iv—O6—O1	120.9 (10)	O1^viii—C1—O2	140.8 (11)
C3^iv—O6—O1^xiv	125.6 (10)	O2—C1—O2^xii	144.1 (13)
C3^xv—O6—O3^x	120.8 (10)	O2^iii—C1—O2^viii	141.1 (13)
C3^xv—O6—O3^xii	125.4 (10)	O6—O1—C2	131.7 (5)
C3^xv—O6—O1	125.6 (10)	O6—O1—C2^iii	126.5 (5)
C3^xv—O6—O1^xiv	120.9 (10)	O6—O1—C2^viii	105.7 (8)
C3^xiv—O6—O3^x	117.7 (15)	O6—O1—O4	153.7 (6)
C3^xiv—O6—O3^xii	126.5 (15)	O6—O1—C1^iii	104.8 (8)
C3^xiv—O6—O1	126.5 (15)	O6—O1—C1^xii	131.1 (5)
C3^xiv—O6—O1^xiv	117.7 (15)	O6—O1—C1^viii	127.1 (5)
O5—O6—O3^x	117.0 (11)	O6—O1—O2^xii	153.3 (6)
O5—O6—O3^xii	108.1 (11)	O7^iv—O1—C2	131.7 (5)
O5—O6—O1	108.0 (11)	O7^iv—O1—C2^iii	126.5 (5)
O5—O6—O1^xiv	116.9 (11)	O7^iv—O1—C2^viii	105.7 (8)
O5^iv—O6—O3^x	118.4 (9)	O7^iv—O1—O4	153.6 (6)
O5^iv—O6—O3^xii	111.0 (9)	O7^iv—O1—C1^iii	104.8 (8)
O5^iv—O6—O1	111.1 (9)	O7^iv—O1—C1^xii	131.1 (5)
O5^iv—O6—O1^xiv	118.6 (9)	O7^iv—O1—C1^viii	127.1 (5)
O5^xv—O6—O3^x	111.0 (9)	O7^iv—O1—O2^xii	153.3 (6)
O5^xv—O6—O3^xii	118.4 (9)	C2—O1—O4^ix	136.3 (6)
O5^xv—O6—O1	118.6 (9)	C2—O1—O3^xiii	135.2 (5)
O5^xv—O6—O1^xiv	111.1 (9)	C2—O1—O1^vii	135.2 (5)
O5^xiv—O6—O3^x	108.1 (11)	C2—O1—O2^xi	136.3 (6)
O5^xiv—O6—O3^xii	117.0 (11)	C2^iii—O1—O4^ix	137.5 (6)
O5^xiv—O6—O1	116.9 (11)	C2^iii—O1—O3^xiii	134.8 (5)
O5^xiv—O6—O1^xiv	108.0 (11)	C2^iii—O1—O1^vii	134.8 (5)
C4—O6—O3^x	120.8 (10)	C2^iii—O1—O2^xi	137.5 (6)
C4—O6—O3^xii	125.5 (10)	O4—O1—O4^ix	108.9 (5)
C4—O6—O1	125.6 (10)	O4—O1—O3^xiii	108.7 (5)
C4—O6—O1^xiv	120.9 (10)	O4—O1—O1^vii	108.7 (5)
C4^iv—O6—O3^x	117.6 (15)	O4—O1—O2^xi	109.0 (5)
C4^iv—O6—O3^xii	126.6 (15)	O4^xii—O1—O4^ix	160.5 (10)
C4^iv—O6—O1	126.6 (15)	O4^xii—O1—O3^xiii	156.4 (9)
C4^iv—O6—O1^xiv	117.7 (15)	O4^xii—O1—O1^vii	156.4 (9)
C4^xv—O6—O3^x	126.6 (15)	O4^xii—O1—O2^xi	160.4 (10)
C4^xv—O6—O3^xii	117.6 (15)	O4^ix—O1—C1^xii	136.7 (6)
C4^xv—O6—O1	117.7 (15)	O4^ix—O1—C1^viii	137.0 (6)
C4^xv—O6—O1^xiv	126.6 (15)	O4^ix—O1—O1^iii	159.4 (9)
C4^xiv—O6—O3^x	125.5 (10)	O4^ix—O1—O2	160.6 (10)
C4^xiv—O6—O3^xii	120.8 (10)	O4^ix—O1—O2^xii	109.0 (5)
C4^xiv—O6—O1	120.9 (10)	O3^viii—O1—O2^xi	159.5 (9)
C4^xiv—O6—O1^xiv	125.6 (10)	O3^xiii—O1—C1	163.4 (10)
O8—O6—O3^x	110.8 (9)	O3^xiii—O1—C1^iii	169.4 (9)
O8—O6—O3^xii	118.5 (9)	O3^xiii—O1—C1^xii	135.6 (5)
O8—O6—O1	118.7 (9)	O3^xiii—O1—C1^viii	134.4 (5)
O8—O6—O1^xiv	110.9 (9)	O3^xiii—O1—O1^iii	160.1 (8)
O8^iv—O6—O3^x	108.0 (11)	O3^xiii—O1—O2	156.6 (9)
O8^iv—O6—O1	117.1 (11)	O3^xiii—O1—O2^xii	108.8 (5)
O8^iv—O6—O1^xiv	107.9 (11)	C1—O1—O1^vii	163.4 (10)
O8^xv—O6—O3^x	117.2 (11)	C1^xii—O1—O1^vii	135.6 (5)
O8^xv—O6—O3^xii	108.0 (11)	C1^xii—O1—O2^xi	136.8 (6)
O8^xv—O6—O1	107.9 (11)	C1^viii—O1—O1^vii	134.4 (5)
O8^xv—O6—O1^xiv	117.1 (11)	C1^viii—O1—O2^xi	137.0 (6)
O8^xiv—O6—O3^x	118.5 (9)	O1^iii—O1—O1^vii	160.1 (8)
O8^xiv—O6—O3^xii	110.8 (9)	O1^iii—O1—O2^xi	159.4 (9)
O8^xiv—O6—O1	110.9 (9)	O1^vii—O1—O2^xii	108.8 (5)
O8^xiv—O6—O1^xiv	118.7 (9)	O2—O1—O2^xi	160.5 (10)
O3^x—O6—O3^xii	111.1 (6)	O2^xi—O1—O2^xii	109.1 (5)
O3^x—O6—O1	111.1 (6)	C2—O2—O4^xii	103 (139)
O3^xii—O6—O1^xiv	111.1 (6)	C2—O2—O4^xxxi	137.4 (6)
O1—O6—O1^xiv	111.0 (6)	C2—O2—O3^xxxii	131.5 (6)
C3—C4—O5^iv	113.8 (3)	C2—O2—O1^xxv	131.5 (6)
C3—C4—O5^xv	116.9 (3)	C2—O2—O2^xxxiii	137.2 (6)
C3—C4—O6^iv	117.04 (13)	C2^iii—O2—O4^xxxi	139.1 (6)
C3—C4—O8^xiv	113.6 (3)	C2^iii—O2—O3^xxxii	134.4 (6)
C3^xiv—C4—O5^iv	115.9 (4)	C2^iii—O2—O1^xxv	134.4 (6)
C3^xiv—C4—O5^xv	116.6 (2)	C2^iii—O2—O2^xxxiii	138.9 (6)
C3^xiv—C4—O6^iv	117.94 (11)	C2^xii—O2—O4^xxxi	162.3 (10)
C3^xiv—C4—O7	118.04 (11)	C2^xii—O2—O3^xxxii	153.0 (10)
C3^xiv—C4—O8	116.3 (2)	C2^xii—O2—O1^xxv	152.9 (10)
C3^xiv—C4—O8^xiv	115.6 (4)	C2^xii—O2—O2^xxxiii	161.9 (10)
O5—C4—O5^iv	139.2 (3)	C2^viii—O2—O4^xxxi	150.5 (11)
O5—C4—O5^xv	144.4 (3)	C2^viii—O2—O3^xxxii	141.2 (11)
O5—C4—O8	144.2 (3)	C2^viii—O2—O2^xxxiii	150.1 (11)
O5—C4—O8^xiv	138.9 (3)	O4^iii—O2—O4^xxxi	112.6 (5)
O5^iv—C4—O5^xiv	143.0 (4)	O4^iii—O2—O3^xxxii	110.5 (5)
O5^iv—C4—O6^iv	122.9 (3)	O4^iii—O2—O1^xxv	110.5 (5)
O5^iv—C4—C4^iv	115.5 (4)	O4^iii—O2—O2^xxxiii	112.5 (5)
O5^iv—C4—C4^xv	113.4 (3)	O4^viii—O2—O4^xxxi	145.9 (10)
O5^iv—C4—O7	122.8 (3)	O4^viii—O2—O3^xxxii	139.2 (9)
O5^iv—C4—O8^iv	143.2 (4)	O4^viii—O2—O1^xxv	139.2 (9)
O5^iv—C4—O8^xv	139.2 (3)	O4^viii—O2—O2^xxxiii	145.6 (10)
O5^xv—C4—O5^xiv	143.7 (2)	O4^xxxi—O2—O3	112.3 (5)
O5^xv—C4—O6^iv	125.5 (2)	O4^xxxi—O2—O3^xii	150.2 (9)
O5^xv—C4—C4^iv	116.2 (2)	O4^xxxi—O2—C1	161.9 (10)
O5^xv—C4—C4^xv	116.5 (3)	O4^xxxi—O2—C1^iii	150.8 (12)
O5^xv—C4—O7	125.4 (2)	O4^xxxi—O2—C1^xii	137.1 (6)
O5^xv—C4—O8^iv	143.9 (2)	O4^xxxi—O2—C1^viii	139.4 (6)
O5^xv—C4—O8^xv	144.5 (3)	O4^xxxi—O2—O1	150.1 (9)
O5^xiv—C4—O8	143.5 (2)	O4^xxxi—O2—O1^xii	112.2 (5)
O5^xiv—C4—O8^xiv	142.8 (4)	O4^xxxi—O2—O2^iii	146.1 (10)
O6—C4—O6^iv	144.80 (7)	O4^xxxi—O2—O2^viii	112.6 (5)
O6—C4—O7	144.90 (7)	O3—O2—O3^xxxii	108.8 (5)
O6^iv—C4—C4^iv	118.32 (11)	O3—O2—O1^xxv	108.7 (5)
O6^iv—C4—C4^xv	117.40 (13)	O3—O2—O2^xxxiii	112.2 (5)
O6^iv—C4—O7^iv	144.71 (7)	O3^xii—O2—O3^xxxii	145.4 (9)
O6^iv—C4—O8	125.7 (2)	O3^xii—O2—O1^xxv	145.4 (9)
O6^iv—C4—O8^xiv	123.0 (3)	O3^xii—O2—O2^xxxiii	150.0 (9)
C4^iv—C4—O7	118.42 (11)	O3^xxxii—O2—C1	152.5 (10)
C4^iv—C4—O8	115.9 (2)	O3^xxxii—O2—C1^iii	141.5 (11)
C4^iv—C4—O8^xiv	115.3 (4)	O3^xxxii—O2—C1^xii	131.3 (6)
C4^xv—C4—O7	117.50 (13)	O3^xxxii—O2—C1^viii	134.6 (6)
C4^xv—C4—O8	116.4 (3)	O3^xxxii—O2—O1	145.4 (9)
C4^xv—C4—O8^xiv	113.2 (3)	O3^xxxii—O2—O1^xii	108.6 (5)
O7—C4—O7^iv	144.81 (7)	O3^xxxii—O2—O2^iii	139.5 (9)
O7—C4—O8^xiv	122.9 (3)	O3^xxxii—O2—O2^viii	110.4 (5)
O8—C4—O8^iv	143.6 (2)	C1—O2—O1^xxv	152.5 (10)
O8—C4—O8^xv	144.4 (3)	C1—O2—O2^xxxiii	161.5 (10)
O8^iv—C4—O8^xiv	143.0 (4)	C1^iii—O2—O1^xxv	141.4 (11)
O8^xv—C4—O8^xiv	138.9 (3)	C1^iii—O2—O2^xxxiii	150.4 (12)
C3—O7—O3^xvii	125.5 (10)	C1^xii—O2—O1^xxv	131.2 (6)
C3—O7—O3^xviii	120.8 (10)	C1^xii—O2—O2^xxxiii	136.9 (6)
C3—O7—O1^iv	120.9 (10)	C1^viii—O2—O1^xxv	134.6 (6)
C3—O7—O1^xv	125.6 (10)	C1^viii—O2—O2^xxxiii	139.2 (6)
C3^iv—O7—O3^xvii	126.6 (15)	O1—O2—O1^xxv	145.4 (9)
C3^iv—O7—O3^xviii	117.8 (15)	O1—O2—O2^xxxiii	149.9 (9)
C3^iv—O7—O1^iv	117.8 (15)	O1^xxv—O2—O1^xii	108.6 (5)
C3^iv—O7—O1^xv	126.6 (15)	O1^xxv—O2—O2^iii	139.5 (9)
C3^xv—O7—O3^xvii	117.8 (15)	O1^xxv—O2—O2^viii	110.4 (5)
C3^xv—O7—O3^xviii	126.6 (15)	O1^xii—O2—O2^xxxiii	112.1 (5)
C3^xv—O7—O1^iv	126.6 (15)	O2^iii—O2—O2^xxxiii	145.8 (9)
C3^xv—O7—O1^xv	117.8 (15)	O2^xxxiii—O2—O2^viii	112.6 (5)
C3^xiv—O7—O3^xvii	120.8 (10)

Symmetry codes: (i) x, y+1, z; (ii) −x+1, y+1, z; (iii) x, −y+1, −z; (iv) x, −y, −z; (v) −x+1, −y+1, −z; (vi) x+1, y, z; (vii) −x+1/2, y, −z+1/2; (viii) −x, y, z; (ix) x+1/2, y, −z+1/2; (x) x+1, −y+1, −z; (xi) −x+1/2, −y+1, z+1/2; (xii) −x, −y+1, −z; (xiii) x+1/2, −y+1, z+1/2; (xiv) −x+1, y, z; (xv) −x+1, −y, −z; (xvi) x, y−1, z; (xvii) x+1, y−1, z; (xviii) −x, y−1, z; (xix) x−1, y, z; (xx) −x−1/2, y, −z+1/2; (xxi) −x−1/2, −y+1, z+1/2; (xxii) x−1/2, y, −z+1/2; (xxiii) x−1/2, −y+1, z+1/2; (xxiv) x−1, −y+1, −z; (xxv) −x+1/2, −y+1, z−1/2; (xxvi) x−1, y+1, z; (xxvii) −x−1/2, −y+1, z−1/2; (xxviii) −x−1/2, y, −z−1/2; (xxix) x−1/2, −y+1, z−1/2; (xxx) x−1/2, y, −z−1/2; (xxxi) x+1/2, −y+1, z−1/2; (xxxii) x+1/2, y, −z−1/2; (xxxiii) −x+1/2, y, −z−1/2.

catena-((µ₆-oxalato)-(µ₄-oxalato)-di-cadmium) (II)

Crystal data

[Cd(C2O4)]	F(000) = 368
Mr = 200.43	Dx = 3.262 Mg m^−3
Orthorhombic, Pmna	CuKα, CuKα1, CuKα2 radiation, λ = 1.541837, 1.540598, 1.544426 Å
a = 7.3218 (1) Å	T = 295 K
b = 6.0231 (1) Å	Particle morphology: plate-like
c = 9.2546 (2) Å	white
V = 408.13 (1) Å^3	flat_sheet, 20 × 10 mm
Z = 4	Specimen preparation: Prepared at 293 K and 101.3 kPa

Data collection

Siemens D500 diffractometer	Data collection mode: reflection
Radiation source: sealed X-ray tube	Scan method: step
Graphite monochromator	2θmin = 10°, 2θmax = 110°, 2θstep = 0.02°
Specimen mounting: packed powder pellet

Refinement

Refinement on Inet	Profile function: pseudo-Voigt
Least-squares matrix: full	56 parameters
Rp = 0.067	20 restraints
Rwp = 0.090	Weighting scheme based on measured s.u.'s 1/[σ(Yi)^2]
Rexp = 0.016	(Δ/σ)max = 0.01
RBragg = 0.043	Background function: Chebyshev polynomial
5002 data points	Preferred orientation correction: Modified March-Dollase function (Dollase, W.A. J Appl. Cryst. (1986), 19, 267)

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cd1	0.5	0.5928 (2)	0.18071 (15)	0.0338 (12)
C3	0.5	0.061508 (11)	0.074007 (6)	0.045 (2)*
O5	0.5	−0.053397 (15)	0.185260 (7)	0.045 (2)*
O6	0.5	0.269751 (10)	0.069432 (10	0.045 (2)*
C1	0.10583 (14)	0.5236 (10)	−0.00119 (19)	0.031 (3)*	.25
O2	0.1859 (3)	0.485 (2)	−0.1174 (4)	0.031 (3)*	.25
O1	0.17754 (16)	0.6038 (9)	0.11013 (18)	0.031 (3)*	.25
C2	−0.10387 (14)	0.4804 (10)	0.00352 (19)	0.031 (3)*	.25
O3	−0.18071 (16)	0.4383 (9)	−0.11454 (18)	0.031 (3)*	.25
O4	−0.1841 (3)	0.523 (2)	0.1193 (4)	0.031 (3)*	.25

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cd1	0.0477 (14)	0.0480 (12)	0.0058 (10)	0	0	0.0047 (12)

Geometric parameters (Å, º)

Cd1—O5^i	2.1320 (12)	O1—C1^xii	2.367 (2)
Cd1—O6	2.2007 (12)	O1—O2	2.225 (6)
Cd1—O6^ii	2.4583 (14)	O1—O2^ii	0.530 (13)
Cd1—O2^ii	2.417 (3)	O1—O1^ii	2.386 (4)
Cd1—O2^iii	2.359 (4)	O1—O1^xii	2.6007 (17)
Cd1—O2^iv	2.417 (3)	O1—C2	2.402 (3)
Cd1—O2^v	2.359 (4)	O1—C2^ii	2.366 (2)
Cd1—O1	2.4496 (13)	O1—C2^x	1.283 (4)
Cd1—O1^vi	2.3323 (19)	O1—C2^xii	1.348 (5)
Cd1—O1^vii	2.4496 (13)	O1—O3^ii	2.6343 (18)
Cd1—O1^viii	2.3323 (19)	O1—O3^x	0.245 (8)
Cd1—O3^ix	2.4239 (13)	O1—O3^xii	2.306 (4)
Cd1—O3^iii	2.3190 (19)	O1—O4	2.694 (3)
Cd1—O3^x	2.4239 (13)	O1—O4^x	2.254 (6)
Cd1—O3^v	2.3190 (19)	O1—O4^xii	0.496 (13)
Cd1—O4^xi	2.419 (3)	C2—C1	1.558 (2)
Cd1—O4^vi	2.329 (4)	C2—C1^ii	1.5356 (15)
Cd1—O4^xii	2.419 (3)	C2—C1^x	0.030 (4)
Cd1—O4^viii	2.329 (4)	C2—C1^xii	0.264 (8)
C3—C3^xiii	1.5574 (1)	C2—O2	2.399 (3)
C3—O5	1.2406 (1)	C2—O2^ii	2.379 (3)
C3—O5^xiii	2.3999 (1)	C2—O2^x	1.232 (4)
C3—O6	1.2550 (1)	C2—O2^xii	1.271 (4)
C3—O6^xiii	2.3965 (1)	C2—O1	2.402 (3)
O5—Cd1^xiv	2.1320 (12)	C2—O1^ii	2.366 (2)
O5—C3	1.2406 (1)	C2—O1^x	1.283 (4)
O5—C3^xiii	2.3999 (1)	C2—O1^xii	1.348 (5)
O5—O6	2.2220 (1)	C2—C2^ii	0.257 (8)
O5—O6^xiii	2.6933 (1)	C2—C2^x	1.542 (2)
O6—Cd1	2.2007 (12)	C2—C2^xii	1.5200 (14)
O6—Cd1^ii	2.4583 (14)	C2—O3	1.255 (3)
O6—C3	1.2550 (1)	C2—O3^ii	1.273 (4)
O6—C3^xiii	2.3965 (1)	C2—O3^x	2.375 (2)
O6—O5	2.2220 (1)	C2—O3^xii	2.366 (2)
O6—O5^xiii	2.6933 (1)	C2—O4	1.249 (5)
C1—C1^ii	0.273 (8)	C2—O4^ii	1.281 (4)
C1—C1^x	1.575 (2)	C2—O4^x	2.396 (3)
C1—C1^xii	1.5507 (14)	C2—O4^xii	2.378 (3)
C1—O2	1.247 (4)	O3—Cd1^xix	2.4239 (13)
C1—O2^ii	1.243 (4)	O3—Cd1^xv	2.3190 (19)
C1—O2^x	2.402 (3)	O3—C1	2.401 (2)
C1—O2^xii	2.404 (3)	O3—C1^ii	2.3671 (19)
C1—O1	1.253 (4)	O3—C1^x	1.225 (3)
C1—O1^ii	1.366 (5)	O3—C1^xii	1.290 (4)
C1—O1^x	2.429 (3)	O3—O2	2.699 (3)
C1—O1^xii	2.367 (2)	O3—O2^x	2.197 (5)
C1—C2	1.558 (2)	O3—O2^xii	0.285 (13)
C1—C2^ii	1.5356 (15)	O3—O2^xx	2.682 (4)
C1—C2^x	0.030 (4)	O3—O1^ii	2.6343 (18)
C1—C2^xii	0.264 (8)	O3—O1^x	0.245 (8)
C1—O3	2.401 (2)	O3—O1^xii	2.306 (4)
C1—O3^ii	2.3671 (19)	O3—C2	1.255 (3)
C1—O3^x	1.225 (3)	O3—C2^ii	1.273 (4)
C1—O3^xii	1.290 (4)	O3—C2^x	2.375 (2)
C1—O4	2.398 (3)	O3—C2^xii	2.366 (2)
C1—O4^ii	2.404 (3)	O3—O3^ii	2.249 (3)
C1—O4^x	1.264 (5)	O3—O3^xii	2.6453 (17)
C1—O4^xii	1.253 (4)	O3—O4	2.224 (5)
O2—Cd1^ii	2.417 (3)	O3—O4^ii	0.251 (13)
O2—Cd1^xv	2.359 (4)	O3—O4^xxi	2.666 (4)
O2—C1	1.247 (4)	O3—O4^x	2.682 (3)
O2—C1^ii	1.243 (4)	O4—Cd1^xxii	2.419 (3)
O2—C1^x	2.402 (3)	O4—Cd1^vi	2.329 (4)
O2—C1^xii	2.404 (3)	O4—C1	2.398 (3)
O2—O2^ii	2.180 (5)	O4—C1^ii	2.404 (3)
O2—O2^xvi	2.629 (5)	O4—C1^x	1.264 (5)
O2—O1	2.225 (6)	O4—C1^xii	1.253 (4)
O2—O1^ii	0.530 (13)	O4—O2^x	0.043 (14)
O2—C2	2.399 (3)	O4—O2^xii	2.203 (5)
O2—C2^ii	2.379 (3)	O4—O2^xxiii	2.616 (5)
O2—C2^x	1.232 (4)	O4—O1	2.694 (3)
O2—C2^xii	1.271 (4)	O4—O1^x	2.254 (6)
O2—O3	2.699 (3)	O4—O1^xii	0.496 (13)
O2—O3^x	2.197 (5)	O4—C2	1.249 (5)
O2—O3^xii	0.285 (13)	O4—C2^ii	1.281 (4)
O2—O3^xvii	2.682 (4)	O4—C2^x	2.396 (3)
O2—O4^x	0.043 (14)	O4—C2^xii	2.378 (3)
O2—O4^xii	2.203 (5)	O4—O3	2.224 (5)
O2—O4^xviii	2.616 (5)	O4—O3^ii	0.251 (13)
O1—Cd1	2.4496 (13)	O4—O3^xxiv	2.666 (4)
O1—Cd1^vi	2.3323 (19)	O4—O3^x	2.682 (3)
O1—C1	1.253 (4)	O4—O4^ii	2.226 (6)
O1—C1^ii	1.366 (5)	O4—O4^xxv	2.603 (5)
O1—C1^x	2.429 (3)	O4—O4^xii	2.696 (3)
O5^i—Cd1—O6	153.26 (5)	O1^xii—C1—O3^xii	143.8 (3)
O5^i—Cd1—O6^ii	71.45 (5)	O1^xii—C1—O4^x	144.8 (4)
O5^i—Cd1—O2^ii	101.3 (4)	C2—C1—O3^x	116.7 (2)
O5^i—Cd1—O1	88.90 (13)	C2—C1—O3^xii	112.0 (2)
O5^i—Cd1—O3^ix	94.56 (15)	C2—C1—O4^x	115.8 (3)
O5^i—Cd1—O4^xi	100.4 (4)	C2—C1—O4^xii	115.1 (3)
O5^i—Cd1—O2^iii	100.4 (4)	C2^ii—C1—O3^x	117.5 (2)
O6—Cd1—O6^ii	81.81 (5)	C2^ii—C1—O3^xii	114.1 (2)
O6—Cd1—O2^iv	73.6 (2)	C2^ii—C1—O4^x	116.0 (3)
O6—Cd1—O1	84.10 (13)	C2^ii—C1—O4^xii	118.1 (3)
O6—Cd1—O1^vii	84.10 (13)	O3—C1—O3^x	144.5 (2)
O6—Cd1—O3^ix	79.39 (12)	O3—C1—O4^xii	141.9 (3)
O6—Cd1—O4^xi	74.6 (2)	O3^ii—C1—O3^xii	141.6 (2)
O6^ii—Cd1—O2^ii	80.56 (19)	O3^ii—C1—O4^x	144.5 (3)
O6^ii—Cd1—O1	75.00 (7)	O3^x—C1—O3^xii	126.8 (3)
O6^ii—Cd1—O3^ix	77.71 (8)	O3^x—C1—O4^ii	144.5 (3)
O6^ii—Cd1—O4^xi	80.72 (18)	O3^x—C1—O4^x	126.5 (5)
O2^ii—Cd1—O3^ix	147.34 (15)	O3^xii—C1—O4	138.9 (3)
O2^iii—Cd1—O3^iii	70.48 (14)	O3^xii—C1—O4^xii	121.9 (5)
O1—Cd1—O4^xi	149.69 (15)	O4—C1—O4^x	143.4 (4)
O1^vi—Cd1—O4^vi	70.62 (15)	O4^ii—C1—O4^xii	143.9 (3)
C3^xiii—C3—O5	117.682 (9)	O4^x—C1—O4^xii	124.3 (5)
C3^xiii—C3—O6	116.477 (9)	C1—O2—O2^xvi	166.8 (4)
O5—C3—O6	125.841 (11)	C1^ii—O2—O3^xvii	169.7 (3)
O2—C1—O1	125.7 (5)	C1^ii—O2—O4^xviii	172.7 (3)
O2—C1—C2	117.2 (3)	C1^x—O2—O2^xvi	138.0 (2)
C1^xii—C1—O4^xii	117.2 (3)	C1^x—O2—O3^xvii	138.10 (14)
O1—C1—C2	117.0 (3)	C1^x—O2—O4^xviii	138.4 (2)
C1—C2—O3	116.8 (2)	C1^xii—O2—O2^xvi	137.3 (2)
C1—C2—O4	117.0 (3)	C1^xii—O2—O3^xvii	138.40 (15)
O3—C2—O4	125.3 (5)	C1^xii—O2—O4^xviii	137.8 (2)
O5^i—Cd1—O2^iv	101.3 (4)	O2^ii—O2—O2^xvi	158.5 (3)
O5^i—Cd1—O2^v	100.4 (4)	O2^ii—O2—O3^xvii	158.6 (3)
O5^i—Cd1—O1^vi	87.57 (15)	O2^ii—O2—O4^xviii	158.3 (3)
O5^i—Cd1—O1^vii	88.90 (13)	O2^xvi—O2—O1	153.4 (3)
O5^i—Cd1—O1^viii	87.57 (15)	O2^xvi—O2—C2	138.7 (2)
O5^i—Cd1—O3^iii	93.53 (16)	O2^xvi—O2—C2^ii	137.0 (2)
O5^i—Cd1—O3^x	94.56 (15)	O2^xvi—O2—C2^x	166.4 (4)
O5^i—Cd1—O3^v	93.53 (16)	O2^xvi—O2—C2^xii	172.5 (3)
O5^i—Cd1—O4^vi	99.6 (4)	O2^xvi—O2—O3	111.33 (17)
O5^i—Cd1—O4^xii	100.4 (4)	O2^xvi—O2—O3^x	156.7 (3)
O5^i—Cd1—O4^viii	99.6 (4)	O2^xvi—O2—O4^xii	158.7 (3)
O6—Cd1—O2^ii	73.6 (2)	O1—O2—O1^ii	101.3 (15)
O6—Cd1—O2^iii	101.4 (3)	C2—O2—O3^xvii	138.80 (14)
O6—Cd1—O2^v	101.4 (3)	C2—O2—O4^xviii	139.1 (2)
O6—Cd1—O1^vi	114.26 (15)	C2^ii—O2—O3^xvii	138.05 (15)
O6—Cd1—O1^viii	114.26 (15)	C2^ii—O2—O4^xviii	137.5 (2)
O6—Cd1—O3^iii	108.28 (13)	C2^x—O2—O3^xvii	170.7 (3)
O6—Cd1—O3^x	79.39 (12)	C2^x—O2—O4^xviii	167.3 (4)
O6—Cd1—O3^v	108.28 (13)	C2^xii—O2—O3^xvii	170.1 (2)
O6—Cd1—O4^vi	102.1 (3)	C2^xii—O2—O4^xviii	172.8 (3)
O6—Cd1—O4^xii	74.6 (2)	O3—O2—O3^xvii	111.11 (13)
O6—Cd1—O4^viii	102.1 (3)	O3—O2—O4^xviii	111.67 (17)
O6^ii—Cd1—O2^iii	144.3 (2)	O3^x—O2—O3^xvii	158.9 (2)
O6^ii—Cd1—O2^iv	80.56 (19)	O3^xvii—O2—O4^xii	159.0 (3)
O6^ii—Cd1—O2^v	144.3 (2)	O4^xii—O2—O4^xviii	158.5 (3)
O6^ii—Cd1—O1^vi	140.58 (10)	C1—C2—O2^x	118.4 (3)
O6^ii—Cd1—O1^vii	75.00 (7)	C1—C2—O2^xii	116.0 (3)
O6^ii—Cd1—O1^viii	140.58 (10)	C1—C2—O1^x	117.2 (3)
O6^ii—Cd1—O3^iii	142.76 (11)	C1—C2—O1^xii	108.9 (3)
O6^ii—Cd1—O3^x	77.71 (8)	C1—C2—O3^ii	113.1 (2)
O6^ii—Cd1—O3^v	142.76 (11)	C1—C2—O4^ii	115.4 (3)
O6^ii—Cd1—O4^vi	144.1 (2)	C1^ii—C2—O2^x	120.2 (3)
O6^ii—Cd1—O4^xii	80.72 (18)	C1^ii—C2—O2^xii	117.4 (3)
O6^ii—Cd1—O4^viii	144.1 (2)	C1^ii—C2—O1^x	113.9 (2)
O2^ii—Cd1—O2^iii	66.78 (18)	C1^ii—C2—O1^xii	114.6 (3)
O2^ii—Cd1—O2^iv	144.02 (18)	C1^ii—C2—O3	115.69 (19)
O2^ii—Cd1—O2^v	134.7 (2)	C1^ii—C2—O3^ii	117.2 (2)
O2^ii—Cd1—O1^vi	71.09 (16)	C1^ii—C2—O4	119.0 (3)
O2^ii—Cd1—O1^vii	148.95 (15)	C1^ii—C2—O4^ii	116.4 (3)
O2^ii—Cd1—O1^viii	137.43 (18)	C1^x—C2—C1^xii	103 (18)
O2^ii—Cd1—O3^iii	136.55 (17)	O2—C2—O2^x	145.9 (4)
O2^ii—Cd1—O3^v	68.96 (14)	O2—C2—O1^xii	133.6 (3)
O2^ii—Cd1—O4^xi	144.97 (18)	O2—C2—O3^ii	139.7 (3)
O2^ii—Cd1—O4^vi	135.1 (2)	O2—C2—O4	144.5 (4)
O2^ii—Cd1—O4^viii	66.87 (18)	O2^ii—C2—O2^xii	144.1 (3)
O2^iii—Cd1—O2^iv	134.7 (2)	O2^ii—C2—O1^x	140.8 (3)
O2^iii—Cd1—O2^v	70.53 (17)	O2^ii—C2—O3	143.5 (3)
O2^iii—Cd1—O1	70.09 (16)	O2^ii—C2—O4^ii	143.4 (3)
O2^iii—Cd1—O1^vii	140.54 (19)	O2^x—C2—O2^xii	121.1 (5)
O2^iii—Cd1—O1^viii	70.68 (15)	O2^x—C2—O1^ii	147.5 (4)
O2^iii—Cd1—O3^ix	137.96 (18)	O2^x—C2—O1^x	124.4 (5)
O2^iii—Cd1—O3^x	68.22 (15)	O2^x—C2—C2^x	119.3 (3)
O2^iii—Cd1—O4^xi	134.7 (2)	O2^x—C2—C2^xii	119.2 (3)
O2^iii—Cd1—O4^vi	70.64 (17)	O2^x—C2—O3	124.1 (5)
O2^iii—Cd1—O4^xii	66.38 (18)	O2^x—C2—O3^xii	147.5 (3)
O2^iv—Cd1—O2^v	66.78 (18)	O2^x—C2—O4^ii	122.4 (5)
O2^iv—Cd1—O1	148.95 (15)	O2^x—C2—O4^x	146.8 (4)
O2^iv—Cd1—O1^vi	137.43 (18)	O2^xii—C2—O1	139.6 (3)
O2^iv—Cd1—O1^viii	71.09 (16)	O2^xii—C2—O1^xii	116.3 (5)
O2^iv—Cd1—O3^iii	68.96 (14)	O2^xii—C2—C2^x	115.2 (3)
O2^iv—Cd1—O3^x	147.34 (15)	O2^xii—C2—C2^xii	118.3 (3)
O2^iv—Cd1—O3^v	136.55 (17)	O2^xii—C2—O3^ii	119.4 (5)
O2^iv—Cd1—O4^vi	66.87 (18)	O2^xii—C2—O3^x	142.3 (3)
O2^iv—Cd1—O4^xii	144.97 (18)	O2^xii—C2—O4	121.9 (5)
O2^iv—Cd1—O4^viii	135.1 (2)	O2^xii—C2—O4^xii	144.5 (3)
O2^v—Cd1—O1	140.54 (19)	O1—C2—O1^x	144.8 (3)
O2^v—Cd1—O1^vi	70.68 (15)	O1—C2—O3	143.6 (2)
O2^v—Cd1—O1^vii	70.09 (16)	O1—C2—O4^ii	139.5 (3)
O2^v—Cd1—O3^ix	68.22 (15)	O1^ii—C2—O1^xii	142.2 (3)
O2^v—Cd1—O3^x	137.96 (18)	O1^ii—C2—O3^ii	145.7 (3)
O2^v—Cd1—O3^v	70.48 (14)	O1^x—C2—O1^xii	130.1 (4)
O2^v—Cd1—O4^xi	66.38 (18)	O1^x—C2—C2^x	116.2 (3)
O2^v—Cd1—O4^xii	134.7 (2)	O1^x—C2—C2^xii	114.9 (2)
O2^v—Cd1—O4^viii	70.64 (17)	O1^x—C2—O3^ii	128.9 (4)
O1—Cd1—O1^vi	71.51 (8)	O1^x—C2—O3^x	143.6 (3)
O1—Cd1—O1^vii	149.00 (9)	O1^x—C2—O4	125.8 (5)
O1—Cd1—O1^viii	139.24 (10)	O1^x—C2—O4^xii	141.7 (3)
O1—Cd1—O3^ix	149.78 (9)	O1^xii—C2—C2^x	109.8 (3)
O1—Cd1—O3^iii	140.27 (10)	O1^xii—C2—O3	124.7 (4)
O1—Cd1—O3^v	70.72 (9)	O1^xii—C2—O3^xii	138.6 (3)
O1—Cd1—O4^vi	140.69 (18)	O1^xii—C2—O4^ii	118.0 (5)
O1—Cd1—O4^viii	70.01 (16)	O1^xii—C2—O4^x	134.6 (3)
O1^vi—Cd1—O1^vii	139.24 (10)	C2^x—C2—O3	115.9 (2)
O1^vi—Cd1—O1^viii	67.77 (8)	C2^x—C2—O3^ii	114.0 (2)
O1^vi—Cd1—O3^ix	138.55 (10)	C2^x—C2—O4	117.9 (3)
O1^vi—Cd1—O3^iii	68.99 (8)	C2^x—C2—O4^ii	114.5 (3)
O1^vi—Cd1—O3^x	70.97 (9)	C2^xii—C2—O3	116.6 (2)
O1^vi—Cd1—O4^xi	137.06 (18)	C2^xii—C2—O3^ii	116.2 (2)
O1^vi—Cd1—O4^xii	70.48 (15)	C2^xii—C2—O4	118.1 (3)
O1^vii—Cd1—O1^viii	71.51 (8)	C2^xii—C2—O4^ii	117.3 (3)
O1^vii—Cd1—O3^iii	70.72 (9)	O3—C2—O3^ii	125.7 (3)
O1^vii—Cd1—O3^x	149.78 (9)	O3—C2—O3^x	144.3 (2)
O1^vii—Cd1—O3^v	140.27 (10)	O3—C2—O4^xii	144.2 (3)
O1^vii—Cd1—O4^vi	70.01 (16)	O3^ii—C2—O3^xii	143.5 (2)
O1^vii—Cd1—O4^xii	149.69 (15)	O3^ii—C2—O4^ii	121.0 (5)
O1^vii—Cd1—O4^viii	140.69 (18)	O3^ii—C2—O4^x	140.6 (3)
O1^viii—Cd1—O3^ix	70.97 (9)	O3^x—C2—O4^ii	141.9 (3)
O1^viii—Cd1—O3^x	138.55 (10)	O3^xii—C2—O4	146.4 (3)
O1^viii—Cd1—O3^v	68.99 (8)	O4—C2—O4^ii	123.2 (5)
O1^viii—Cd1—O4^xi	70.48 (15)	O4—C2—O4^x	145.4 (4)
O1^viii—Cd1—O4^xii	137.06 (18)	O4^ii—C2—O4^xii	143.9 (3)
O1^viii—Cd1—O4^viii	70.62 (15)	C1—O3—O2^xx	134.42 (18)
O3^ix—Cd1—O3^iii	69.56 (8)	C1—O3—O4^xxi	135.11 (18)
O3^ix—Cd1—O3^x	149.43 (9)	C1^ii—O3—O2^xx	136.88 (18)
O3^ix—Cd1—O3^v	138.69 (10)	C1^ii—O3—O4^xxi	137.49 (18)
O3^ix—Cd1—O4^vi	68.21 (15)	C1^x—O3—O2^xx	161.7 (3)
O3^ix—Cd1—O4^xii	148.20 (14)	C1^x—O3—O4^xxi	162.6 (3)
O3^ix—Cd1—O4^viii	138.22 (18)	C1^xii—O3—O2^xx	149.9 (3)
O3^iii—Cd1—O3^x	138.69 (10)	C1^xii—O3—O4^xxi	150.7 (3)
O3^iii—Cd1—O3^v	69.55 (8)	O2—O3—O2^xx	110.00 (17)
O3^iii—Cd1—O4^xi	68.44 (14)	O2—O3—O4^xxi	110.53 (17)
O3^iii—Cd1—O4^xii	136.32 (17)	O2^x—O3—O2^xx	151.0 (3)
O3^iii—Cd1—O4^viii	70.50 (14)	O2^x—O3—O4^xxi	151.1 (3)
O3^x—Cd1—O3^v	69.56 (8)	O2^xx—O3—O1^ii	112.69 (16)
O3^x—Cd1—O4^xi	148.20 (14)	O2^xx—O3—O1^xii	142.4 (2)
O3^x—Cd1—O4^vi	138.22 (18)	O2^xx—O3—C2	161.4 (3)
O3^x—Cd1—O4^viii	68.21 (15)	O2^xx—O3—C2^ii	149.9 (3)
O3^v—Cd1—O4^xi	136.32 (17)	O2^xx—O3—C2^x	134.16 (18)
O3^v—Cd1—O4^vi	70.50 (14)	O2^xx—O3—C2^xii	137.45 (18)
O3^v—Cd1—O4^xii	68.44 (14)	O2^xx—O3—O3^ii	146.8 (2)
O4^xi—Cd1—O4^vi	66.46 (18)	O2^xx—O3—O3^xii	111.34 (15)
O4^xi—Cd1—O4^xii	145.91 (18)	O2^xx—O3—O4	150.8 (3)
O4^xi—Cd1—O4^viii	135.0 (2)	O2^xx—O3—O4^x	109.69 (17)
O4^vi—Cd1—O4^xii	135.0 (2)	O1^ii—O3—O4^xxi	113.07 (16)
O4^vi—Cd1—O4^viii	70.74 (17)	O1^xii—O3—O4^xxi	142.8 (2)
O4^xii—Cd1—O4^viii	66.46 (18)	C2—O3—O4^xxi	162.3 (3)
O5—C3—O5^xiii	144.925 (9)	C2^ii—O3—O4^xxi	150.7 (3)
O6—C3—O6^xiii	144.430 (9)	C2^x—O3—O4^xxi	134.85 (18)
C1^x—C1—O2	116.2 (3)	C2^xii—O3—O4^xxi	138.06 (18)
C1^x—C1—O2^ii	116.6 (3)	O3^ii—O3—O4^xxi	147.1 (2)
C1^x—C1—O1	118.0 (3)	O3^xii—O3—O4^xxi	111.80 (15)
C1^x—C1—O1^ii	107.0 (3)	O4—O3—O4^xxi	150.9 (3)
C1^x—C1—O3^x	117.6 (2)	O4^xxi—O3—O4^x	110.22 (17)
C1^x—C1—O3^xii	111.1 (2)	C1—O4—O2^xxiii	139.0 (2)
C1^x—C1—O4^x	114.9 (3)	C1—O4—O3^xxiv	139.31 (14)
C1^x—C1—O4^xii	116.0 (3)	C1—O4—O4^xxv	139.5 (2)
C1^xii—C1—O2	118.1 (3)	C1^ii—O4—O2^xxiii	138.1 (2)
C1^xii—C1—O2^ii	118.1 (3)	C1^ii—O4—O3^xxiv	139.39 (15)
C1^xii—C1—O1	114.8 (2)	C1^ii—O4—O4^xxv	138.6 (2)
C1^xii—C1—O1^ii	112.6 (3)	C1^x—O4—O2^xxiii	165.5 (4)
C1^xii—C1—O3^xii	115.1 (2)	C1^x—O4—O3^xxiv	171.0 (3)
C1^xii—C1—O4^x	116.9 (3)	C1^x—O4—O4^xxv	166.4 (4)
O2—C1—O2^ii	122.2 (5)	C1^xii—O4—O2^xxiii	174.1 (3)
O2—C1—O2^x	144.0 (4)	C1^xii—O4—O3^xxiv	172.4 (3)
O2—C1—O1^xii	145.7 (4)	C1^xii—O4—O4^xxv	174.6 (3)
O2—C1—C2^ii	117.1 (3)	O2^xii—O4—O3^xxiv	157.8 (3)
O2—C1—O3^ii	145.6 (3)	O2^xii—O4—O4^xxv	157.1 (3)
O2—C1—O3^x	125.4 (5)	O2^xxiii—O4—O1	112.91 (18)
O2—C1—O4	144.8 (4)	O2^xxiii—O4—O1^x	151.8 (3)
O2—C1—O4^xii	123.5 (5)	O2^xxiii—O4—O1^xii	102.0 (16)
O2^ii—C1—O2^xii	144.1 (3)	O2^xxiii—O4—C2	165.4 (4)
O2^ii—C1—O1^ii	116.9 (5)	O2^xxiii—O4—C2^ii	173.9 (3)
O2^ii—C1—O1^x	139.4 (3)	O2^xxiii—O4—C2^x	139.7 (2)
O2^ii—C1—C2	115.8 (3)	O2^xxiii—O4—C2^xii	137.8 (2)
O2^ii—C1—C2^ii	119.0 (3)	O2^xxiii—O4—O3	155.2 (3)
O2^ii—C1—O3^xii	120.2 (5)	O2^xxiii—O4—O3^x	112.28 (17)
O2^ii—C1—O4^ii	144.5 (3)	O2^xxiii—O4—O4^ii	157.4 (3)
O2^ii—C1—O4^x	122.9 (5)	O2^xxiii—O4—O4^xii	111.32 (19)
O2^x—C1—O1^ii	132.1 (3)	O1—O4—O3^xxiv	112.19 (13)
O2^x—C1—O3^xii	137.9 (3)	O1—O4—O4^xxv	113.19 (18)
O2^x—C1—O4^x	142.6 (4)	O1^x—O4—O3^xxiv	155.4 (2)
O2^xii—C1—O1	141.0 (3)	O1^x—O4—O4^xxv	152.0 (3)
O2^xii—C1—O3^x	143.8 (3)	O1^xii—O4—O4^xxv	101.2 (16)
O2^xii—C1—O4^xii	143.5 (3)	C2—O4—O3^xxiv	170.6 (3)
O1—C1—O1^ii	131.3 (4)	C2—O4—O4^xxv	166.3 (4)
O1—C1—O1^x	145.1 (3)	C2^ii—O4—O3^xxiv	172.7 (2)
O1—C1—C2^ii	115.8 (2)	C2^ii—O4—O4^xxv	174.4 (3)
O1—C1—O3	143.9 (3)	C2^x—O4—O3^xxiv	140.01 (14)
O1—C1—O3^xii	130.1 (4)	C2^x—O4—O4^xxv	140.1 (2)
O1—C1—O4^ii	142.0 (3)	C2^xii—O4—O3^xxiv	139.05 (15)
O1—C1—O4^x	127.2 (5)	C2^xii—O4—O4^xxv	138.3 (2)
O1^ii—C1—O1^xii	140.5 (3)	O3—O4—O3^xxiv	157.6 (2)
O1^ii—C1—C2	107.9 (3)	O3—O4—O4^xxv	155.2 (3)
O1^ii—C1—C2^ii	111.6 (3)	O3^xxiv—O4—O3^x	112.16 (13)
O1^ii—C1—O3^ii	137.0 (3)	O3^xxiv—O4—O4^ii	158.2 (3)
O1^ii—C1—O3^x	125.6 (4)	O3^xxiv—O4—O4^xii	111.80 (16)
O1^ii—C1—O4	133.1 (3)	O3^x—O4—O4^xxv	112.65 (17)
O1^ii—C1—O4^xii	118.7 (5)	O4^ii—O4—O4^xxv	157.2 (3)
O1^x—C1—O3^x	143.7 (2)	O4^xxv—O4—O4^xii	111.76 (19)
O1^x—C1—O4^xii	139.4 (3)

Symmetry codes: (i) x, y+1, z; (ii) x, −y+1, −z; (iii) −x+1/2, −y+1, z+1/2; (iv) −x+1, −y+1, −z; (v) x+1/2, −y+1, z+1/2; (vi) −x+1/2, y, −z+1/2; (vii) −x+1, y, z; (viii) x+1/2, y, −z+1/2; (ix) x+1, −y+1, −z; (x) −x, −y+1, −z; (xi) x+1, y, z; (xii) −x, y, z; (xiii) x, −y, −z; (xiv) x, y−1, z; (xv) −x+1/2, −y+1, z−1/2; (xvi) −x+1/2, y, −z−1/2; (xvii) x+1/2, y, −z−1/2; (xviii) x+1/2, −y+1, z−1/2; (xix) x−1, −y+1, −z; (xx) x−1/2, y, −z−1/2; (xxi) −x−1/2, −y+1, z−1/2; (xxii) x−1, y, z; (xxiii) x−1/2, −y+1, z+1/2; (xxiv) −x−1/2, −y+1, z+1/2; (xxv) −x−1/2, y, −z+1/2.