Literature DB >> 21836863

Bis[bis-(3,5-dimethyl-1H-pyrazol-1-yl)-borato]cobalt(II).

Moayad Hossaini Sadr, Behzad Soltani, James T Engle, Christopher J Ziegler, M Taheri.   

Abstract

The asymmetric unit of the title compound, [Co(C(10)H(16)BN(4))(2)], comprises one unit of the complex. The geometry around the Co(II) ion is a distorted tetra-hedron. The dihedral angles between the pyrazole rings in the two ligands are 47.19 (15) and 47.20 (16)°, while that between the coordination planes is 79.77 (7)°.

Entities:  

Year:  2011        PMID: 21836863      PMCID: PMC3151970          DOI: 10.1107/S1600536811020976

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


Related literature

For standard values of bond lengths, see: Allen et al. (1987 ▶). For background on pyrazolates and their complexes, see, for example; Trofimenko (1967 ▶); Trofimenko (1999 ▶); Trofimenko (2004 ▶); Sadr et al. (2008 ▶); Ruman et al. (2003 ▶); Krzystek et al. (2010 ▶).

Experimental

Crystal data

[Co(C10H16BN4)2] M = 465.09 Monoclinic, a = 8.351 (5) Å b = 14.012 (9) Å c = 19.833 (13) Å β = 93.281 (7)° V = 2317 (3) Å3 Z = 4 Mo Kα radiation μ = 0.77 mm−1 T = 100 K 0.25 × 0.15 × 0.12 mm

Data collection

Bruker APEXII CCD diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 2005 ▶) T min = 0.832, T max = 0.914 18648 measured reflections 5048 independent reflections 3947 reflections with I > 2σ(I) R int = 0.046

Refinement

R[F 2 > 2σ(F 2)] = 0.050 wR(F 2) = 0.122 S = 1.04 5048 reflections 288 parameters H-atom parameters constrained Δρmax = 0.60 e Å−3 Δρmin = −0.61 e Å−3 Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT (Bruker, 2005 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009 ▶). Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811020976/bg2405sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811020976/bg2405Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Co(C10H16BN4)2]F(000) = 980
Mr = 465.09Dx = 1.333 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 5094 reflections
a = 8.351 (5) Åθ = 2.5–28.1°
b = 14.012 (9) ŵ = 0.77 mm1
c = 19.833 (13) ÅT = 100 K
β = 93.281 (7)°Block, purple
V = 2317 (3) Å30.25 × 0.15 × 0.12 mm
Z = 4
Bruker APEXII CCD diffractometer5048 independent reflections
Radiation source: fine-focus sealed tube3947 reflections with I > 2σ(I)
graphiteRint = 0.046
φ and ω scansθmax = 27.0°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 2008)h = −10→10
Tmin = 0.832, Tmax = 0.914k = −17→17
18648 measured reflectionsl = −25→24
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.050Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.122H-atom parameters constrained
S = 1.04w = 1/[σ2(Fo2) + (0.0516P)2 + 2.3676P] where P = (Fo2 + 2Fc2)/3
5048 reflections(Δ/σ)max < 0.001
288 parametersΔρmax = 0.60 e Å3
0 restraintsΔρmin = −0.61 e Å3
Experimental. 'Ratio of minimum to maximum apparent transmission: 0.1661'
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.
xyzUiso*/Ueq
Co10.10933 (4)0.19693 (2)0.197855 (17)0.01815 (12)
N10.1543 (3)0.15049 (15)0.34192 (11)0.0192 (5)
N20.0445 (3)0.15101 (15)0.28722 (11)0.0193 (5)
N30.3688 (2)0.25721 (15)0.29484 (10)0.0172 (5)
N40.2967 (3)0.27492 (16)0.23208 (11)0.0192 (5)
N5−0.0682 (3)0.28065 (15)0.16145 (11)0.0194 (5)
N6−0.1491 (3)0.25825 (16)0.10128 (11)0.0196 (5)
N70.0520 (3)0.14005 (16)0.05685 (11)0.0211 (5)
N80.1649 (3)0.13899 (16)0.11056 (11)0.0201 (5)
C10.1616 (4)0.1256 (2)0.46705 (14)0.0293 (7)
H1A0.23060.06900.46950.044*
H1B0.08160.12080.50120.044*
H1C0.22700.18290.47550.044*
C20.0784 (3)0.13186 (19)0.39839 (14)0.0219 (6)
C3−0.0833 (3)0.1208 (2)0.38042 (14)0.0242 (6)
H3−0.16620.10710.40980.029*
C4−0.1002 (3)0.13375 (19)0.31117 (14)0.0228 (6)
C5−0.2482 (3)0.1303 (2)0.26574 (15)0.0274 (6)
H5A−0.27260.19440.24830.041*
H5B−0.33790.10720.29100.041*
H5C−0.23150.08700.22800.041*
C60.5782 (3)0.3276 (2)0.37451 (14)0.0246 (6)
H6A0.51280.31260.41260.037*
H6B0.62620.39100.38110.037*
H6C0.66340.27980.37180.037*
C70.4748 (3)0.32668 (18)0.31042 (13)0.0191 (5)
C80.4721 (3)0.39084 (19)0.25731 (13)0.0206 (6)
H80.53460.44710.25430.025*
C90.3593 (3)0.35616 (18)0.20939 (13)0.0195 (5)
C100.3077 (3)0.3951 (2)0.14138 (14)0.0251 (6)
H10A0.31010.34410.10770.038*
H10B0.38080.44640.12950.038*
H10C0.19850.42040.14240.038*
C11−0.0646 (3)0.4077 (2)0.24764 (14)0.0261 (6)
H11A−0.08210.36250.28420.039*
H11B−0.12340.46690.25540.039*
H11C0.05020.42170.24650.039*
C12−0.1234 (3)0.36511 (18)0.18175 (13)0.0204 (6)
C13−0.2387 (3)0.39813 (19)0.13439 (13)0.0210 (6)
H13−0.29650.45640.13570.025*
C14−0.2524 (3)0.32872 (19)0.08469 (13)0.0201 (5)
C15−0.3648 (3)0.3250 (2)0.02312 (14)0.0260 (6)
H15A−0.30680.3027−0.01550.039*
H15B−0.40810.38890.01350.039*
H15C−0.45290.28100.03100.039*
C160.0339 (4)0.1101 (2)−0.06737 (14)0.0282 (6)
H16A−0.04760.0599−0.06660.042*
H16B0.10940.0952−0.10190.042*
H16C−0.01810.1715−0.07790.042*
C170.1225 (3)0.11597 (19)0.00018 (14)0.0225 (6)
C180.2834 (3)0.09960 (19)0.01625 (14)0.0248 (6)
H180.36250.0813−0.01380.030*
C190.3061 (3)0.11533 (19)0.08547 (14)0.0221 (6)
C200.4570 (3)0.1113 (2)0.12963 (15)0.0282 (6)
H20A0.50290.17550.13420.042*
H20B0.53400.06880.10930.042*
H20C0.43290.08710.17430.042*
B10.3357 (3)0.1598 (2)0.32884 (16)0.0201 (6)
H1D0.39870.15530.37130.024*
H1E0.36740.10810.29990.024*
B2−0.1278 (4)0.1565 (2)0.07122 (17)0.0237 (7)
H2A−0.16210.10890.10280.028*
H2B−0.19370.15030.02960.028*
U11U22U33U12U13U23
Co10.01670 (19)0.01856 (19)0.01875 (19)−0.00036 (14)−0.00268 (13)−0.00079 (15)
N10.0196 (12)0.0180 (11)0.0196 (11)0.0006 (9)−0.0028 (9)−0.0001 (9)
N20.0178 (11)0.0188 (11)0.0208 (11)−0.0011 (9)−0.0026 (9)−0.0018 (9)
N30.0166 (11)0.0174 (11)0.0171 (11)−0.0004 (8)−0.0039 (9)0.0019 (8)
N40.0178 (11)0.0210 (11)0.0183 (11)−0.0002 (9)−0.0035 (9)0.0024 (9)
N50.0185 (11)0.0190 (11)0.0200 (11)−0.0002 (9)−0.0052 (9)−0.0024 (9)
N60.0178 (12)0.0201 (11)0.0201 (11)0.0012 (9)−0.0040 (9)−0.0023 (9)
N70.0217 (12)0.0207 (12)0.0203 (12)0.0013 (9)−0.0026 (9)−0.0016 (9)
N80.0189 (11)0.0208 (12)0.0203 (11)0.0003 (9)−0.0026 (9)−0.0009 (9)
C10.0339 (17)0.0305 (16)0.0232 (15)−0.0030 (13)−0.0002 (12)0.0009 (12)
C20.0250 (14)0.0173 (13)0.0236 (14)−0.0013 (11)0.0034 (11)−0.0012 (11)
C30.0229 (14)0.0239 (14)0.0265 (15)−0.0034 (11)0.0063 (11)−0.0025 (12)
C40.0205 (14)0.0184 (13)0.0296 (15)−0.0008 (11)0.0030 (11)−0.0027 (11)
C50.0161 (14)0.0346 (16)0.0315 (16)−0.0024 (12)0.0001 (11)−0.0056 (13)
C60.0260 (15)0.0248 (15)0.0223 (14)−0.0041 (11)−0.0053 (11)−0.0017 (11)
C70.0171 (13)0.0185 (13)0.0213 (13)0.0010 (10)−0.0016 (10)−0.0013 (10)
C80.0209 (14)0.0179 (13)0.0229 (14)−0.0027 (10)0.0007 (11)0.0008 (11)
C90.0196 (13)0.0185 (13)0.0205 (13)0.0022 (10)0.0019 (10)0.0018 (10)
C100.0267 (15)0.0263 (15)0.0222 (14)−0.0008 (11)−0.0004 (11)0.0046 (11)
C110.0287 (16)0.0251 (15)0.0241 (15)−0.0003 (12)−0.0012 (12)−0.0043 (11)
C120.0208 (14)0.0174 (13)0.0230 (14)−0.0015 (10)0.0024 (11)−0.0003 (10)
C130.0206 (14)0.0195 (13)0.0231 (14)0.0029 (10)0.0019 (11)0.0022 (11)
C140.0186 (13)0.0230 (14)0.0187 (13)0.0005 (10)0.0020 (10)0.0016 (10)
C150.0254 (15)0.0299 (16)0.0223 (14)0.0035 (12)−0.0038 (11)−0.0006 (12)
C160.0355 (17)0.0268 (15)0.0218 (15)0.0062 (13)−0.0035 (12)−0.0017 (12)
C170.0278 (15)0.0172 (13)0.0224 (14)0.0013 (11)0.0009 (11)−0.0008 (11)
C180.0269 (15)0.0218 (14)0.0261 (15)0.0035 (11)0.0056 (11)0.0017 (11)
C190.0212 (14)0.0187 (13)0.0265 (15)0.0025 (10)0.0028 (11)0.0028 (11)
C200.0207 (15)0.0330 (16)0.0308 (16)0.0017 (12)−0.0001 (12)0.0024 (13)
B10.0171 (15)0.0193 (15)0.0233 (15)−0.0001 (11)−0.0021 (11)0.0039 (12)
B20.0194 (16)0.0215 (15)0.0296 (17)−0.0016 (12)−0.0029 (12)−0.0053 (13)
Co1—N21.990 (2)C6—H6C0.9800
Co1—N81.991 (2)C7—C81.384 (4)
Co1—N51.993 (2)C8—C91.387 (4)
Co1—N41.996 (2)C8—H80.9500
N1—C21.344 (3)C9—C101.495 (4)
N1—N21.380 (3)C10—H10A0.9800
N1—B11.557 (4)C10—H10B0.9800
N2—C41.345 (3)C10—H10C0.9800
N3—C71.340 (3)C11—C121.494 (4)
N3—N41.374 (3)C11—H11A0.9800
N3—B11.554 (4)C11—H11B0.9800
N4—C91.341 (3)C11—H11C0.9800
N5—C121.340 (3)C12—C131.385 (4)
N5—N61.374 (3)C13—C141.385 (4)
N6—C141.340 (3)C13—H130.9500
N6—B21.560 (4)C14—C151.498 (4)
N7—C171.341 (3)C15—H15A0.9800
N7—N81.381 (3)C15—H15B0.9800
N7—B21.561 (4)C15—H15C0.9800
N8—C191.347 (3)C16—C171.495 (4)
C1—C21.496 (4)C16—H16A0.9800
C1—H1A0.9800C16—H16B0.9800
C1—H1B0.9800C16—H16C0.9800
C1—H1C0.9800C17—C181.382 (4)
C2—C31.385 (4)C18—C191.393 (4)
C3—C41.385 (4)C18—H180.9500
C3—H30.9500C19—C201.494 (4)
C4—C51.488 (4)C20—H20A0.9800
C5—H5A0.9800C20—H20B0.9800
C5—H5B0.9800C20—H20C0.9800
C5—H5C0.9800B1—H1D0.9691
C6—C71.495 (4)B1—H1E0.9704
C6—H6A0.9800B2—H2A0.9695
C6—H6B0.9800B2—H2B0.9693
N2—Co1—N8137.03 (10)N4—C9—C8109.3 (2)
N2—Co1—N5106.14 (10)N4—C9—C10121.0 (2)
N8—Co1—N597.50 (10)C8—C9—C10129.8 (2)
N2—Co1—N497.03 (9)C9—C10—H10A109.5
N8—Co1—N4107.57 (10)C9—C10—H10B109.5
N5—Co1—N4110.71 (10)H10A—C10—H10B109.5
C2—N1—N2109.4 (2)C9—C10—H10C109.5
C2—N1—B1131.7 (2)H10A—C10—H10C109.5
N2—N1—B1118.5 (2)H10B—C10—H10C109.5
C4—N2—N1106.9 (2)C12—C11—H11A109.5
C4—N2—Co1131.96 (19)C12—C11—H11B109.5
N1—N2—Co1119.96 (17)H11A—C11—H11B109.5
C7—N3—N4109.1 (2)C12—C11—H11C109.5
C7—N3—B1132.0 (2)H11A—C11—H11C109.5
N4—N3—B1118.2 (2)H11B—C11—H11C109.5
C9—N4—N3107.4 (2)N5—C12—C13109.2 (2)
C9—N4—Co1131.58 (18)N5—C12—C11120.9 (2)
N3—N4—Co1120.24 (16)C13—C12—C11129.8 (2)
C12—N5—N6107.6 (2)C14—C13—C12105.9 (2)
C12—N5—Co1132.25 (18)C14—C13—H13127.0
N6—N5—Co1119.92 (16)C12—C13—H13127.0
C14—N6—N5108.8 (2)N6—C14—C13108.5 (2)
C14—N6—B2131.8 (2)N6—C14—C15122.6 (2)
N5—N6—B2118.7 (2)C13—C14—C15128.8 (2)
C17—N7—N8109.3 (2)C14—C15—H15A109.5
C17—N7—B2131.5 (2)C14—C15—H15B109.5
N8—N7—B2118.8 (2)H15A—C15—H15B109.5
C19—N8—N7106.9 (2)C14—C15—H15C109.5
C19—N8—Co1132.37 (19)H15A—C15—H15C109.5
N7—N8—Co1118.93 (17)H15B—C15—H15C109.5
C2—C1—H1A109.5C17—C16—H16A109.5
C2—C1—H1B109.5C17—C16—H16B109.5
H1A—C1—H1B109.5H16A—C16—H16B109.5
C2—C1—H1C109.5C17—C16—H16C109.5
H1A—C1—H1C109.5H16A—C16—H16C109.5
H1B—C1—H1C109.5H16B—C16—H16C109.5
N1—C2—C3107.9 (2)N7—C17—C18108.4 (2)
N1—C2—C1123.6 (3)N7—C17—C16123.1 (3)
C3—C2—C1128.5 (3)C18—C17—C16128.5 (3)
C4—C3—C2106.5 (2)C17—C18—C19106.0 (2)
C4—C3—H3126.8C17—C18—H18127.0
C2—C3—H3126.8C19—C18—H18127.0
N2—C4—C3109.3 (2)N8—C19—C18109.3 (2)
N2—C4—C5121.6 (3)N8—C19—C20121.3 (2)
C3—C4—C5129.1 (3)C18—C19—C20129.4 (3)
C4—C5—H5A109.5C19—C20—H20A109.5
C4—C5—H5B109.5C19—C20—H20B109.5
H5A—C5—H5B109.5H20A—C20—H20B109.5
C4—C5—H5C109.5C19—C20—H20C109.5
H5A—C5—H5C109.5H20A—C20—H20C109.5
H5B—C5—H5C109.5H20B—C20—H20C109.5
C7—C6—H6A109.5N3—B1—N1110.2 (2)
C7—C6—H6B109.5N3—B1—H1D109.4
H6A—C6—H6B109.5N1—B1—H1D109.6
C7—C6—H6C109.5N3—B1—H1E109.7
H6A—C6—H6C109.5N1—B1—H1E109.7
H6B—C6—H6C109.5H1D—B1—H1E108.2
N3—C7—C8108.3 (2)N6—B2—N7109.7 (2)
N3—C7—C6123.0 (2)N6—B2—H2A109.7
C8—C7—C6128.7 (2)N7—B2—H2A109.8
C7—C8—C9106.0 (2)N6—B2—H2B109.6
C7—C8—H8127.0N7—B2—H2B109.7
C9—C8—H8127.0H2A—B2—H2B108.3
C2—N1—N2—C40.8 (3)N1—N2—C4—C5179.3 (2)
B1—N1—N2—C4174.7 (2)Co1—N2—C4—C511.9 (4)
C2—N1—N2—Co1170.05 (17)C2—C3—C4—N20.6 (3)
B1—N1—N2—Co1−16.1 (3)C2—C3—C4—C5−179.6 (3)
N8—Co1—N2—C4−90.4 (3)N4—N3—C7—C80.1 (3)
N5—Co1—N2—C430.3 (3)B1—N3—C7—C8170.1 (3)
N4—Co1—N2—C4144.3 (2)N4—N3—C7—C6−178.0 (2)
N8—Co1—N2—N1103.6 (2)B1—N3—C7—C6−8.0 (4)
N5—Co1—N2—N1−135.75 (18)N3—C7—C8—C90.0 (3)
N4—Co1—N2—N1−21.76 (19)C6—C7—C8—C9178.0 (3)
C7—N3—N4—C9−0.2 (3)N3—N4—C9—C80.2 (3)
B1—N3—N4—C9−171.7 (2)Co1—N4—C9—C8169.59 (19)
C7—N3—N4—Co1−171.03 (17)N3—N4—C9—C10179.1 (2)
B1—N3—N4—Co117.4 (3)Co1—N4—C9—C10−11.5 (4)
N2—Co1—N4—C9−147.1 (2)C7—C8—C9—N4−0.1 (3)
N8—Co1—N4—C968.6 (3)C7—C8—C9—C10−178.9 (3)
N5—Co1—N4—C9−36.9 (3)N6—N5—C12—C13−0.7 (3)
N2—Co1—N4—N321.2 (2)Co1—N5—C12—C13173.49 (19)
N8—Co1—N4—N3−123.16 (19)N6—N5—C12—C11177.2 (2)
N5—Co1—N4—N3131.42 (18)Co1—N5—C12—C11−8.6 (4)
N2—Co1—N5—C1266.4 (3)N5—C12—C13—C140.8 (3)
N8—Co1—N5—C12−149.9 (2)C11—C12—C13—C14−176.8 (3)
N4—Co1—N5—C12−37.8 (3)N5—N6—C14—C130.2 (3)
N2—Co1—N5—N6−119.98 (19)B2—N6—C14—C13169.9 (3)
N8—Co1—N5—N623.8 (2)N5—N6—C14—C15−177.4 (2)
N4—Co1—N5—N6135.80 (18)B2—N6—C14—C15−7.7 (4)
C12—N5—N6—C140.3 (3)C12—C13—C14—N6−0.6 (3)
Co1—N5—N6—C14−174.73 (17)C12—C13—C14—C15176.8 (3)
C12—N5—N6—B2−170.9 (2)N8—N7—C17—C18−0.5 (3)
Co1—N5—N6—B214.0 (3)B2—N7—C17—C18−173.1 (3)
C17—N7—N8—C191.0 (3)N8—N7—C17—C16180.0 (2)
B2—N7—N8—C19174.6 (2)B2—N7—C17—C167.4 (5)
C17—N7—N8—Co1167.53 (18)N7—C17—C18—C19−0.1 (3)
B2—N7—N8—Co1−18.8 (3)C16—C17—C18—C19179.4 (3)
N2—Co1—N8—C19−95.1 (3)N7—N8—C19—C18−1.1 (3)
N5—Co1—N8—C19141.3 (2)Co1—N8—C19—C18−165.08 (19)
N4—Co1—N8—C1926.8 (3)N7—N8—C19—C20177.5 (2)
N2—Co1—N8—N7102.4 (2)Co1—N8—C19—C2013.5 (4)
N5—Co1—N8—N7−21.16 (19)C17—C18—C19—N80.8 (3)
N4—Co1—N8—N7−135.73 (18)C17—C18—C19—C20−177.6 (3)
N2—N1—C2—C3−0.5 (3)C7—N3—B1—N1127.9 (3)
B1—N1—C2—C3−173.3 (3)N4—N3—B1—N1−62.9 (3)
N2—N1—C2—C1179.7 (2)C2—N1—B1—N3−125.5 (3)
B1—N1—C2—C17.0 (4)N2—N1—B1—N362.3 (3)
N1—C2—C3—C4−0.1 (3)C14—N6—B2—N7130.1 (3)
C1—C2—C3—C4179.7 (3)N5—N6—B2—N7−61.1 (3)
N1—N2—C4—C3−0.9 (3)C17—N7—B2—N6−123.8 (3)
Co1—N2—C4—C3−168.27 (19)N8—N7—B2—N664.2 (3)
  4 in total

1.  A short history of SHELX.

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

2.  Cobalt(II) "scorpionate" complexes as models for cobalt-substituted zinc enzymes: electronic structure investigation by high-frequency and -field electron paramagnetic resonance spectroscopy.

Authors:  J Krzystek; Dale C Swenson; S A Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser
Journal:  J Am Chem Soc       Date:  2010-04-14       Impact factor: 15.419

3.  (Triphenyl-phosphine-κP)[tris-(indazol-1-yl)borato-κN,N',N'']silver(I).

Authors:  Moayad Hossaini Sadr; Shiva Alipouri Niaz; Saina Gorbani; Shan Gao; Seik Weng Ng
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2007-12-12

4.  Structure validation in chemical crystallography.

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

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