Literature DB >> 21587355

Undeca-carbonyl-1κC,2κC,3κC-[tris-(2-chloro-eth-yl) phosphite-1κP]-triangulo-triruthenium(0).

Omar Bin Shawkataly, Syed Sauban Ghani, Rajabathar Jothiramalingam, Chin Sing Yeap, Hoong-Kun Fun.   

Abstract

In the title triangulo-triruthenium compound, [Ru(3)(C(6)H(12)Cl(3)O(3)P)(CO)(11)], one equatorial carbonyl ligand is substituted by a monodentate phosphite ligand, leaving one equatorial and two axial carbonyl ligands on one Ru atom. The remaining two Ru atoms each carry two equatorial and two axial terminal carbonyl ligands. In the crystal structure, the mol-ecules are linked into a one-dimensional column along [100] by inter-molecular C-H⋯O hydrogen bonds.

Entities:  

Year:  2010        PMID: 21587355      PMCID: PMC2983316          DOI: 10.1107/S1600536810033891

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For general background to triangulo-triruthenium derivatives, see: Bruce et al. (1985 ▶, 1988a ▶,b ▶). For the synthesis, see: Bruce et al. (1987 ▶). For related structures, see: Shawkataly et al. (1991 ▶, 2010 ▶). For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986 ▶).

Experimental

Crystal data

[Ru3(C6H12Cl3O3P)(CO)11] M = 880.80 Triclinic, a = 7.8592 (9) Å b = 12.5979 (14) Å c = 14.8393 (17) Å α = 109.442 (3)° β = 93.791 (3)° γ = 90.763 (3)° V = 1381.4 (3) Å3 Z = 2 Mo Kα radiation μ = 2.03 mm−1 T = 100 K 0.20 × 0.19 × 0.03 mm

Data collection

Bruker APEXII DUO CCD diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.691, T max = 0.936 32458 measured reflections 11981 independent reflections 9935 reflections with I > 2σ(I) R int = 0.037

Refinement

R[F 2 > 2σ(F 2)] = 0.030 wR(F 2) = 0.120 S = 1.07 11981 reflections 343 parameters H-atom parameters constrained Δρmax = 1.36 e Å−3 Δρmin = −1.36 e Å−3 Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009 ▶). Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810033891/hy2343sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536810033891/hy2343Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Ru3(C6H12Cl3O3P)(CO)11]Z = 2
Mr = 880.80F(000) = 848
Triclinic, P1Dx = 2.117 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.8592 (9) ÅCell parameters from 9961 reflections
b = 12.5979 (14) Åθ = 2.6–34.9°
c = 14.8393 (17) ŵ = 2.03 mm1
α = 109.442 (3)°T = 100 K
β = 93.791 (3)°Plate, orange
γ = 90.763 (3)°0.20 × 0.19 × 0.03 mm
V = 1381.4 (3) Å3
Bruker APEXII DUO CCD diffractometer11981 independent reflections
Radiation source: fine-focus sealed tube9935 reflections with I > 2σ(I)
graphiteRint = 0.037
φ and ω scansθmax = 35.0°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Bruker, 2001)h = −12→11
Tmin = 0.691, Tmax = 0.936k = −20→20
32458 measured reflectionsl = −23→23
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.030Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.120H-atom parameters constrained
S = 1.07w = 1/[σ2(Fo2) + (0.0712P)2] where P = (Fo2 + 2Fc2)/3
11981 reflections(Δ/σ)max = 0.001
343 parametersΔρmax = 1.36 e Å3
0 restraintsΔρmin = −1.36 e Å3
Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K.
xyzUiso*/Ueq
Ru10.71803 (3)0.328125 (16)0.260791 (13)0.01152 (5)
Ru20.70797 (3)0.443891 (16)0.125659 (14)0.01282 (5)
Ru30.90548 (3)0.247218 (16)0.093890 (14)0.01285 (5)
Cl11.27297 (12)0.29528 (8)0.52857 (7)0.0393 (2)
Cl20.44453 (13)−0.08078 (8)0.26311 (8)0.0408 (2)
Cl30.87744 (12)0.12562 (8)0.59050 (6)0.03316 (18)
P10.81185 (9)0.19414 (5)0.32030 (5)0.01243 (11)
O10.4173 (3)0.1665 (2)0.15829 (18)0.0261 (5)
O20.4589 (3)0.4615 (2)0.39455 (16)0.0272 (5)
O31.0116 (3)0.48098 (19)0.38775 (16)0.0243 (4)
O41.0024 (4)0.6040 (2)0.24393 (19)0.0312 (5)
O50.4624 (4)0.6254 (2)0.2229 (2)0.0353 (6)
O60.4026 (3)0.2931 (2)0.01285 (18)0.0264 (5)
O70.8072 (3)0.4917 (2)−0.05275 (17)0.0285 (5)
O80.6085 (3)0.0883 (2)−0.02193 (18)0.0286 (5)
O91.0676 (3)0.03923 (18)0.11984 (17)0.0237 (4)
O101.2121 (3)0.3946 (2)0.21192 (18)0.0246 (4)
O111.0379 (3)0.2483 (2)−0.09539 (17)0.0296 (5)
O121.0146 (3)0.20752 (17)0.34233 (15)0.0185 (4)
O130.7651 (3)0.06914 (16)0.25139 (14)0.0167 (3)
O140.7425 (3)0.18383 (16)0.41609 (13)0.0156 (3)
C10.5297 (4)0.2259 (2)0.1906 (2)0.0170 (5)
C20.5606 (4)0.4129 (2)0.34655 (19)0.0176 (5)
C30.9063 (4)0.4263 (2)0.33632 (19)0.0162 (4)
C40.8986 (4)0.5401 (2)0.2013 (2)0.0197 (5)
C50.5525 (4)0.5573 (2)0.1872 (2)0.0213 (5)
C60.5187 (4)0.3433 (2)0.0568 (2)0.0186 (5)
C70.7704 (4)0.4744 (2)0.0129 (2)0.0190 (5)
C80.7114 (4)0.1509 (2)0.0235 (2)0.0195 (5)
C91.0079 (4)0.1172 (2)0.1112 (2)0.0176 (5)
C101.0934 (4)0.3452 (2)0.1710 (2)0.0178 (5)
C110.9900 (4)0.2496 (2)−0.0249 (2)0.0191 (5)
C121.1191 (4)0.1307 (2)0.3739 (2)0.0201 (5)
H12A1.13510.06320.32010.024*
H12B1.06270.10900.42170.024*
C131.2881 (4)0.1874 (3)0.4157 (2)0.0251 (6)
H13A1.33460.22000.37150.030*
H13B1.36610.13160.42380.030*
C140.7869 (4)−0.0323 (2)0.2750 (2)0.0206 (5)
H14A0.7794−0.01600.34330.025*
H14B0.8982−0.06190.25850.025*
C150.6486 (4)−0.1176 (2)0.2195 (2)0.0241 (6)
H15A0.6760−0.19070.22370.029*
H15B0.6449−0.12350.15250.029*
C160.7696 (4)0.2759 (2)0.50584 (19)0.0183 (5)
H16A0.69510.33680.50600.022*
H16B0.88690.30460.51500.022*
C170.7303 (4)0.2308 (3)0.5846 (2)0.0211 (5)
H17A0.61490.19840.57270.025*
H17B0.73740.29190.64550.025*
U11U22U33U12U13U23
Ru10.01204 (9)0.01129 (8)0.01162 (8)0.00113 (6)0.00190 (6)0.00414 (6)
Ru20.01309 (9)0.01271 (8)0.01366 (9)0.00183 (6)0.00155 (6)0.00559 (6)
Ru30.01169 (9)0.01307 (9)0.01344 (9)0.00218 (6)0.00272 (6)0.00355 (6)
Cl10.0261 (4)0.0352 (4)0.0420 (5)0.0005 (3)−0.0078 (4)−0.0045 (4)
Cl20.0277 (4)0.0341 (4)0.0615 (6)0.0012 (3)0.0209 (4)0.0140 (4)
Cl30.0348 (4)0.0420 (4)0.0343 (4)0.0164 (4)0.0094 (3)0.0264 (4)
P10.0123 (3)0.0118 (2)0.0135 (3)0.0009 (2)0.0010 (2)0.0046 (2)
O10.0173 (10)0.0285 (11)0.0295 (11)−0.0045 (8)−0.0009 (8)0.0065 (9)
O20.0225 (11)0.0326 (12)0.0220 (10)0.0072 (9)0.0069 (8)0.0018 (9)
O30.0253 (11)0.0209 (9)0.0222 (10)−0.0057 (8)−0.0020 (8)0.0023 (8)
O40.0335 (14)0.0245 (11)0.0345 (13)−0.0079 (10)−0.0086 (11)0.0108 (10)
O50.0309 (14)0.0253 (11)0.0446 (15)0.0083 (10)0.0135 (11)0.0026 (10)
O60.0194 (11)0.0268 (11)0.0283 (11)−0.0004 (9)−0.0045 (9)0.0044 (9)
O70.0285 (12)0.0391 (13)0.0258 (11)0.0016 (10)0.0059 (9)0.0205 (10)
O80.0215 (11)0.0243 (10)0.0319 (12)0.0010 (9)0.0000 (9)−0.0013 (9)
O90.0224 (11)0.0202 (9)0.0298 (11)0.0062 (8)0.0044 (8)0.0093 (8)
O100.0159 (10)0.0268 (11)0.0281 (11)−0.0014 (8)0.0003 (8)0.0054 (9)
O110.0287 (12)0.0397 (13)0.0222 (10)0.0015 (10)0.0085 (9)0.0117 (9)
O120.0127 (8)0.0203 (9)0.0260 (10)0.0015 (7)0.0007 (7)0.0125 (8)
O130.0218 (10)0.0126 (7)0.0158 (8)−0.0002 (7)0.0008 (7)0.0050 (6)
O140.0175 (9)0.0153 (8)0.0138 (8)−0.0015 (7)0.0026 (7)0.0046 (6)
C10.0152 (11)0.0186 (11)0.0176 (11)0.0021 (9)0.0017 (9)0.0063 (9)
C20.0178 (12)0.0191 (11)0.0164 (10)0.0013 (9)0.0015 (9)0.0064 (9)
C30.0179 (12)0.0143 (10)0.0170 (10)−0.0007 (9)0.0031 (9)0.0056 (8)
C40.0179 (12)0.0191 (11)0.0235 (12)0.0007 (9)−0.0005 (10)0.0093 (10)
C50.0212 (13)0.0180 (11)0.0234 (12)0.0006 (10)0.0048 (10)0.0047 (10)
C60.0180 (12)0.0169 (11)0.0212 (12)0.0027 (9)0.0031 (9)0.0065 (9)
C70.0171 (12)0.0210 (11)0.0215 (12)0.0029 (9)0.0018 (9)0.0103 (10)
C80.0145 (11)0.0198 (11)0.0235 (12)0.0027 (9)0.0046 (9)0.0056 (10)
C90.0148 (11)0.0180 (11)0.0188 (11)0.0007 (9)0.0043 (9)0.0042 (9)
C100.0150 (11)0.0198 (11)0.0184 (11)0.0023 (9)0.0019 (9)0.0059 (9)
C110.0174 (12)0.0208 (11)0.0183 (11)0.0024 (9)0.0034 (9)0.0053 (9)
C120.0168 (12)0.0188 (11)0.0245 (12)0.0054 (9)−0.0009 (10)0.0074 (10)
C130.0143 (12)0.0297 (14)0.0306 (15)0.0042 (11)0.0002 (11)0.0092 (12)
C140.0266 (14)0.0119 (10)0.0230 (12)0.0020 (9)−0.0004 (11)0.0057 (9)
C150.0252 (14)0.0147 (11)0.0292 (14)0.0003 (10)0.0065 (11)0.0023 (10)
C160.0223 (13)0.0160 (10)0.0147 (10)0.0022 (9)0.0022 (9)0.0022 (8)
C170.0204 (13)0.0283 (13)0.0156 (11)0.0073 (11)0.0020 (9)0.0084 (10)
Ru1—C21.905 (3)O5—C51.131 (4)
Ru1—C31.945 (3)O6—C61.135 (4)
Ru1—C11.946 (3)O7—C71.120 (4)
Ru1—P12.2609 (7)O8—C81.135 (4)
Ru1—Ru22.8431 (4)O9—C91.136 (4)
Ru1—Ru32.8610 (4)O10—C101.133 (4)
Ru2—C51.922 (3)O11—C111.130 (4)
Ru2—C71.929 (3)O12—C121.450 (3)
Ru2—C61.936 (3)O13—C141.443 (3)
Ru2—C41.949 (3)O14—C161.446 (3)
Ru2—Ru32.8622 (4)C12—C131.493 (4)
Ru3—C91.919 (3)C12—H12A0.9700
Ru3—C111.934 (3)C12—H12B0.9700
Ru3—C81.945 (3)C13—H13A0.9700
Ru3—C101.950 (3)C13—H13B0.9700
Cl1—C131.784 (3)C14—C151.509 (4)
Cl2—C151.779 (3)C14—H14A0.9700
Cl3—C171.790 (3)C14—H14B0.9700
P1—O131.589 (2)C15—H15A0.9700
P1—O141.600 (2)C15—H15B0.9700
P1—O121.601 (2)C16—C171.507 (4)
O1—C11.122 (4)C16—H16A0.9700
O2—C21.148 (4)C16—H16B0.9700
O3—C31.137 (3)C17—H17A0.9700
O4—C41.135 (4)C17—H17B0.9700
C2—Ru1—C390.61 (12)C12—O12—P1124.95 (18)
C2—Ru1—C188.67 (12)C14—O13—P1126.29 (18)
C3—Ru1—C1176.82 (11)C16—O14—P1120.43 (17)
C2—Ru1—P1106.42 (9)O1—C1—Ru1173.4 (3)
C3—Ru1—P188.17 (8)O2—C2—Ru1176.4 (3)
C1—Ru1—P189.06 (8)O3—C3—Ru1173.4 (2)
C2—Ru1—Ru299.93 (8)O4—C4—Ru2173.8 (3)
C3—Ru1—Ru291.10 (8)O5—C5—Ru2178.8 (3)
C1—Ru1—Ru292.08 (8)O6—C6—Ru2172.8 (3)
P1—Ru1—Ru2153.641 (19)O7—C7—Ru2179.6 (3)
C2—Ru1—Ru3159.81 (8)O8—C8—Ru3173.9 (3)
C3—Ru1—Ru393.38 (8)O9—C9—Ru3178.8 (3)
C1—Ru1—Ru388.35 (8)O10—C10—Ru3173.8 (3)
P1—Ru1—Ru393.50 (2)O11—C11—Ru3178.3 (3)
Ru2—Ru1—Ru360.236 (9)O12—C12—C13109.3 (2)
C5—Ru2—C7106.72 (13)O12—C12—H12A109.8
C5—Ru2—C690.60 (12)C13—C12—H12A109.8
C7—Ru2—C693.05 (12)O12—C12—H12B109.8
C5—Ru2—C489.78 (13)C13—C12—H12B109.8
C7—Ru2—C490.49 (12)H12A—C12—H12B108.3
C6—Ru2—C4176.17 (12)C12—C13—Cl1112.2 (2)
C5—Ru2—Ru197.66 (9)C12—C13—H13A109.2
C7—Ru2—Ru1155.59 (9)Cl1—C13—H13A109.2
C6—Ru2—Ru187.85 (9)C12—C13—H13B109.2
C4—Ru2—Ru188.32 (9)Cl1—C13—H13B109.2
C5—Ru2—Ru3157.76 (9)H13A—C13—H13B107.9
C7—Ru2—Ru395.47 (9)O13—C14—C15108.5 (2)
C6—Ru2—Ru386.84 (8)O13—C14—H14A110.0
C4—Ru2—Ru391.37 (9)C15—C14—H14A110.0
Ru1—Ru2—Ru360.191 (8)O13—C14—H14B110.0
C9—Ru3—C11103.01 (12)C15—C14—H14B110.0
C9—Ru3—C888.67 (12)H14A—C14—H14B108.4
C11—Ru3—C890.45 (12)C14—C15—Cl2112.2 (2)
C9—Ru3—C1091.35 (12)C14—C15—H15A109.2
C11—Ru3—C1092.68 (12)Cl2—C15—H15A109.2
C8—Ru3—C10176.78 (12)C14—C15—H15B109.2
C9—Ru3—Ru1101.60 (8)Cl2—C15—H15B109.2
C11—Ru3—Ru1155.38 (9)H15A—C15—H15B107.9
C8—Ru3—Ru190.80 (9)O14—C16—C17107.3 (2)
C10—Ru3—Ru186.04 (8)O14—C16—H16A110.2
C9—Ru3—Ru2161.17 (8)C17—C16—H16A110.2
C11—Ru3—Ru295.82 (9)O14—C16—H16B110.2
C8—Ru3—Ru291.17 (9)C17—C16—H16B110.2
C10—Ru3—Ru287.77 (9)H16A—C16—H16B108.5
Ru1—Ru3—Ru259.573 (8)C16—C17—Cl3110.5 (2)
O13—P1—O1498.19 (10)C16—C17—H17A109.5
O13—P1—O12108.50 (12)Cl3—C17—H17A109.5
O14—P1—O12104.15 (11)C16—C17—H17B109.5
O13—P1—Ru1113.83 (8)Cl3—C17—H17B109.5
O14—P1—Ru1120.97 (8)H17A—C17—H17B108.1
O12—P1—Ru1110.01 (8)
C2—Ru1—Ru2—C51.98 (12)C4—Ru2—Ru3—C988.2 (3)
C3—Ru1—Ru2—C5−88.83 (12)Ru1—Ru2—Ru3—C90.9 (3)
C1—Ru1—Ru2—C591.00 (12)C5—Ru2—Ru3—C11175.3 (3)
P1—Ru1—Ru2—C5−176.92 (10)C7—Ru2—Ru3—C11−1.28 (12)
Ru3—Ru1—Ru2—C5177.91 (9)C6—Ru2—Ru3—C1191.49 (12)
C2—Ru1—Ru2—C7179.0 (2)C4—Ru2—Ru3—C11−91.90 (12)
C3—Ru1—Ru2—C788.2 (2)Ru1—Ru2—Ru3—C11−179.18 (9)
C1—Ru1—Ru2—C7−92.0 (2)C5—Ru2—Ru3—C884.8 (3)
P1—Ru1—Ru2—C70.1 (2)C7—Ru2—Ru3—C8−91.85 (13)
Ru3—Ru1—Ru2—C7−5.1 (2)C6—Ru2—Ru3—C80.91 (12)
C2—Ru1—Ru2—C6−88.33 (12)C4—Ru2—Ru3—C8177.52 (12)
C3—Ru1—Ru2—C6−179.15 (11)Ru1—Ru2—Ru3—C890.24 (9)
C1—Ru1—Ru2—C60.68 (11)C5—Ru2—Ru3—C10−92.2 (3)
P1—Ru1—Ru2—C692.76 (9)C7—Ru2—Ru3—C1091.19 (12)
Ru3—Ru1—Ru2—C687.59 (9)C6—Ru2—Ru3—C10−176.05 (11)
C2—Ru1—Ru2—C491.53 (12)C4—Ru2—Ru3—C100.56 (12)
C3—Ru1—Ru2—C40.72 (11)Ru1—Ru2—Ru3—C10−86.72 (8)
C1—Ru1—Ru2—C4−179.46 (12)C5—Ru2—Ru3—Ru1−5.5 (2)
P1—Ru1—Ru2—C4−87.38 (10)C7—Ru2—Ru3—Ru1177.90 (9)
Ru3—Ru1—Ru2—C4−92.55 (9)C6—Ru2—Ru3—Ru1−89.33 (9)
C2—Ru1—Ru2—Ru3−175.93 (9)C4—Ru2—Ru3—Ru187.28 (9)
C3—Ru1—Ru2—Ru393.26 (8)C2—Ru1—P1—O13117.48 (13)
C1—Ru1—Ru2—Ru3−86.91 (8)C3—Ru1—P1—O13−152.42 (12)
P1—Ru1—Ru2—Ru35.17 (4)C1—Ru1—P1—O1329.15 (12)
C2—Ru1—Ru3—C9−168.0 (3)Ru2—Ru1—P1—O13−63.64 (10)
C3—Ru1—Ru3—C990.97 (12)Ru3—Ru1—P1—O13−59.14 (9)
C1—Ru1—Ru3—C9−86.36 (12)C2—Ru1—P1—O140.96 (13)
P1—Ru1—Ru3—C92.60 (9)C3—Ru1—P1—O1491.05 (12)
Ru2—Ru1—Ru3—C9−179.70 (9)C1—Ru1—P1—O14−87.38 (12)
C2—Ru1—Ru3—C1113.7 (3)Ru2—Ru1—P1—O14179.83 (8)
C3—Ru1—Ru3—C11−87.4 (2)Ru3—Ru1—P1—O14−175.67 (9)
C1—Ru1—Ru3—C1195.3 (2)C2—Ru1—P1—O12−120.51 (12)
P1—Ru1—Ru3—C11−175.7 (2)C3—Ru1—P1—O12−30.41 (12)
Ru2—Ru1—Ru3—C112.0 (2)C1—Ru1—P1—O12151.16 (12)
C2—Ru1—Ru3—C8−79.2 (3)Ru2—Ru1—P1—O1258.37 (10)
C3—Ru1—Ru3—C8179.78 (11)Ru3—Ru1—P1—O1262.86 (9)
C1—Ru1—Ru3—C82.45 (12)O13—P1—O12—C12−49.8 (2)
P1—Ru1—Ru3—C891.41 (9)O14—P1—O12—C1254.1 (2)
Ru2—Ru1—Ru3—C8−90.89 (9)Ru1—P1—O12—C12−174.9 (2)
C2—Ru1—Ru3—C10101.4 (3)O14—P1—O13—C14−41.8 (3)
C3—Ru1—Ru3—C100.41 (11)O12—P1—O13—C1466.2 (3)
C1—Ru1—Ru3—C10−176.92 (11)Ru1—P1—O13—C14−171.0 (2)
P1—Ru1—Ru3—C10−87.96 (9)O13—P1—O14—C16174.3 (2)
Ru2—Ru1—Ru3—C1089.74 (9)O12—P1—O14—C1662.8 (2)
C2—Ru1—Ru3—Ru211.7 (2)Ru1—P1—O14—C16−61.5 (2)
C3—Ru1—Ru3—Ru2−89.33 (8)P1—O12—C12—C13−162.5 (2)
C1—Ru1—Ru3—Ru293.34 (8)O12—C12—C13—Cl171.2 (3)
P1—Ru1—Ru3—Ru2−177.703 (19)P1—O13—C14—C15148.7 (2)
C5—Ru2—Ru3—C9−4.6 (4)O13—C14—C15—Cl2−71.2 (3)
C7—Ru2—Ru3—C9178.8 (3)P1—O14—C16—C17−166.17 (19)
C6—Ru2—Ru3—C9−88.4 (3)O14—C16—C17—Cl364.2 (3)
D—H···AD—HH···AD···AD—H···A
C17—H17B···O4i0.972.583.297 (4)131
C17—H17B···O5ii0.972.543.307 (4)136
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯ADAD—H⋯A
C17—H17B⋯O4i0.972.583.297 (4)131
C17—H17B⋯O5ii0.972.543.307 (4)136

Symmetry codes: (i) ; (ii) .

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Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

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Authors:  Omar Bin Shawkataly; Imthyaz Ahmed Khan; Chin Sing Yeap; Hoong-Kun Fun
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-01-30

3.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  3 in total

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