Literature DB >> 21201866

catena-Poly[[tetra-kis(hexa-methyl-phos-pho-ramide-κO)bis-(nitrato-κO,O')neodymium(III)] [silver(I)-di-μ(2)-sulfido-tungsten(VI)-di-μ(2)-sulfido]].

Guodong Tang, Jinfang Zhang, Chi Zhang.   

Abstract

In the title compound, {[Nd(NO(3))(2)(C(6)H(18)N(3)OP)(4)][AgWS(4)]}(n), the central Nd atom of the monovalent cation is coordinated by eight O atoms from two nitrate and four hexa-methyl-phospho-ramide ligands. The monovalent anion, {[WS(4)Ag](-)}(n), forms a polymeric chain in a distorted linear configuration with W-Ag-W and Ag-W-Ag angles of 163.81 (3) and 154.786 (12)°, respectively. Thirteen C and three N atoms are disordered equally over two positions. One C atom is disordered over two positions with site occupancy factors of 0.6 and 0.4.

Entities:  

Year:  2008        PMID: 21201866      PMCID: PMC2960880          DOI: 10.1107/S1600536808001256

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


Related literature

For related structures, see: Lang et al. (1993 ▶); Huang et al. (1996 ▶, 1997 ▶); Zhang, Qian et al. (2007 ▶); Zhang, Cao et al. (2007 ▶). For a review of polymeric Mo(W)/S/Ag(Cu) clusters, see: Niu et al. (2004 ▶, and references therein). For third-order non-linear optical properties, see: Zhang, Song et al. (2007 ▶).

Experimental

Crystal data

[Nd(NO3)2(C6H18N3OP)4][AgWS4] M = 1405.07 Monoclinic, a = 15.8250 (19) Å b = 29.873 (4) Å c = 11.4345 (13) Å β = 90.689 (3)° V = 5405.2 (12) Å3 Z = 4 Mo Kα radiation μ = 3.76 mm−1 T = 153 (2) K 0.2 × 0.15 × 0.1 mm

Data collection

Rigaku Mercury diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.132, T max = 0.329 (expected range = 0.275–0.687) 46733 measured reflections 9877 independent reflections 9086 reflections with I > 2σ(I) R int = 0.045

Refinement

R[F 2 > 2σ(F 2)] = 0.050 wR(F 2) = 0.108 S = 1.14 9877 reflections 506 parameters 28 restraints H-atom parameters constrained Δρmax = 1.42 e Å−3 Δρmin = −1.36 e Å−3 Data collection: CrystalClear (Rigaku Corporation, 2000 ▶); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku/MSC, 2002 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXL97; software used to prepare material for publication: SHELXL97. Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808001256/pv2063sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536808001256/pv2063Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Nd(NO3)2(C6H18N3OP)4][AgWS4]F000 = 2796.0
Mr = 1405.07Dx = 1.727 Mg m3
Monoclinic, P21/cMo Kα radiation λ = 0.71070 Å
Hall symbol: -P 2ybcCell parameters from 19261 reflections
a = 15.8250 (19) Åθ = 3.0–25.4º
b = 29.873 (4) ŵ = 3.76 mm1
c = 11.4345 (13) ÅT = 153 (2) K
β = 90.689 (3)ºBlock, orange–red
V = 5405.2 (12) Å30.2 × 0.15 × 0.1 mm
Z = 4
Rigaku Mercury diffractometer9877 independent reflections
Radiation source: fine-focus sealed tube9086 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.045
Detector resolution: 14.6306 pixels mm-1θmax = 25.4º
T = 153(2) Kθmin = 3.0º
ω scansh = −17→19
Absorption correction: multi-scan(SADABS; Sheldrick, 1996)k = −35→35
Tmin = 0.132, Tmax = 0.329l = −13→13
46733 measured reflections
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.050H-atom parameters constrained
wR(F2) = 0.108  w = 1/[σ2(Fo2) + (0.0328P)2 + 29.5132P] where P = (Fo2 + 2Fc2)/3
S = 1.14(Δ/σ)max = 0.002
9877 reflectionsΔρmax = 1.42 e Å3
506 parametersΔρmin = −1.36 e Å3
28 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00025 (5)
Experimental. Analysis: calculated for C24H72AgN14NdO10P4S4W: C 20.52, H 5.16, N 13.96%; found: C 20.50, H 5.14, N 14.01%. IR: ν, cm-1, 478.5 m, 446.8 s (W-µ2-S).
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*/UeqOcc. (<1)
W10.713803 (18)0.271347 (9)−0.02311 (2)0.03257 (10)
Ag10.71456 (5)0.23648 (2)0.21805 (5)0.05526 (19)
S10.71465 (15)0.19967 (7)0.02245 (17)0.0526 (5)
S40.59999 (13)0.28497 (8)−0.12827 (18)0.0544 (5)
S30.82772 (13)0.28620 (9)−0.12453 (18)0.0562 (6)
S20.71231 (14)0.31554 (6)0.13071 (16)0.0470 (5)
Nd10.23703 (2)0.083214 (11)0.83521 (3)0.03310 (11)
P10.19278 (16)−0.02955 (7)0.69224 (19)0.0531 (6)
P20.46340 (12)0.09454 (7)0.7383 (2)0.0509 (5)
P30.01781 (11)0.13540 (7)0.82852 (17)0.0392 (4)
P40.29591 (17)0.14957 (8)1.1063 (2)0.0604 (6)
O10.2074 (3)0.01663 (16)0.7322 (5)0.0508 (13)
O40.2729 (3)0.12885 (17)0.9929 (5)0.0504 (13)
O20.3799 (3)0.08064 (17)0.7868 (5)0.0521 (14)
O30.0979 (3)0.10903 (16)0.8307 (5)0.0430 (12)
O50.1659 (3)0.04041 (18)1.0014 (5)0.0517 (14)
O60.2985 (3)0.02619 (19)0.9801 (6)0.0581 (15)
O70.2315 (5)0.0018 (2)1.1332 (7)0.087 (2)
O80.2510 (4)0.15975 (17)0.7396 (5)0.0538 (14)
O90.2232 (4)0.10556 (19)0.6219 (5)0.0566 (14)
O100.2227 (6)0.1734 (3)0.5559 (7)0.108 (3)
N10.2137 (6)−0.0343 (3)0.5527 (6)0.074 (2)
N20.2566 (7)−0.0668 (3)0.7514 (9)0.090 (3)
N30.1001 (6)−0.0461 (3)0.7286 (9)0.101 (4)
N40.5361 (4)0.0702 (3)0.8074 (9)0.102 (4)
N50.4625 (5)0.0856 (4)0.5961 (8)0.090 (3)
N60.4873 (5)0.1474 (3)0.7370 (8)0.083 (3)
N7−0.0604 (4)0.1016 (2)0.8554 (6)0.0487 (16)
N80.0200 (4)0.1751 (2)0.9266 (7)0.0588 (18)
N90.0021 (4)0.1589 (3)0.7038 (6)0.0602 (19)
N130.2327 (5)0.0221 (2)1.0398 (7)0.0567 (19)
N140.2324 (5)0.1468 (3)0.6370 (7)0.0596 (19)
C20.2211 (10)−0.0793 (4)0.4976 (12)0.126 (6)
H2A0.1672−0.08730.46020.189*
H2B0.2355−0.10150.55770.189*
H2C0.2655−0.07860.43870.189*
C40.2563 (13)−0.0823 (6)0.8638 (15)0.160 (7)
H4A0.3027−0.10370.87500.240*
H4B0.2024−0.09720.87900.240*
H4C0.2637−0.05720.91810.240*
C60.0334 (7)−0.0152 (4)0.7584 (12)0.099 (4)
H6A0.05400.01560.75070.149*
H6B0.0161−0.02050.83930.149*
H6C−0.0150−0.01980.70560.149*
C70.5338 (10)0.0962 (7)0.5243 (13)0.171 (9)
H7A0.57300.07080.52380.256*
H7B0.56280.12260.55600.256*
H7C0.51430.10240.44430.256*
C80.4124 (8)0.0485 (5)0.5485 (12)0.114 (5)
H8A0.41860.04740.46340.171*
H8B0.35280.05300.56760.171*
H8C0.43230.02030.58280.171*
C13−0.0526 (6)0.0683 (3)0.9472 (9)0.072 (3)
H13A−0.10480.05070.95080.109*
H13B−0.04260.08321.02240.109*
H13C−0.00500.04840.93030.109*
C14−0.1476 (5)0.1113 (4)0.8189 (9)0.070 (3)
H14A−0.18460.08680.84330.105*
H14B−0.15040.11450.73370.105*
H14C−0.16610.13930.85550.105*
C15−0.0477 (6)0.1853 (4)1.0071 (9)0.077 (3)
H15A−0.02370.19211.08440.116*
H15B−0.08550.15941.01290.116*
H15C−0.07970.21120.97820.116*
C160.0874 (7)0.2085 (3)0.9244 (11)0.084 (3)
H16A0.06490.23680.89410.125*
H16B0.13290.19800.87380.125*
H16C0.10970.21301.00390.125*
C180.0148 (7)0.1332 (5)0.5970 (9)0.097 (4)
H18A0.04290.10490.61630.146*
H18B0.05020.15040.54340.146*
H18C−0.04000.12710.55950.146*
N100.2744 (10)0.2005 (5)1.1022 (12)0.062 (3)*0.50
N10'0.3460 (9)0.1984 (5)1.0899 (12)0.062 (3)*0.50
N110.4021 (11)0.1396 (6)1.1244 (16)0.076 (3)*0.50
N11'0.3634 (11)0.1297 (6)1.1919 (15)0.076 (3)*0.50
N120.2128 (11)0.1727 (6)1.1823 (16)0.083 (4)*0.50
N12'0.2418 (11)0.1248 (6)1.2046 (16)0.083 (4)*0.50
C10.1813 (16)0.0006 (8)0.477 (2)0.085 (5)*0.50
H1A0.1972−0.00570.39620.128*0.50
H1B0.20510.02940.50140.128*0.50
H1C0.11960.00170.48250.128*0.50
C1'0.2149 (16)0.0014 (8)0.471 (2)0.085 (5)*0.50
H1'A0.2288−0.01020.39390.128*0.50
H1'B0.25750.02340.49590.128*0.50
H1'C0.15910.01570.46830.128*0.50
C30.3374 (16)−0.0770 (15)0.692 (3)0.152 (10)*0.50
H3A0.3352−0.06580.61200.227*0.50
H3B0.3463−0.10950.69150.227*0.50
H3C0.3842−0.06260.73500.227*0.50
C3'0.3492 (13)−0.0640 (15)0.743 (4)0.152 (10)*0.50
H3'10.3718−0.04650.80870.227*0.50
H3'20.3641−0.04940.66920.227*0.50
H3'30.3732−0.09420.74490.227*0.50
C50.0938 (15)−0.0971 (6)0.727 (2)0.085 (5)*0.50
H5A0.0536−0.10690.78680.128*0.50
H5B0.1495−0.11010.74460.128*0.50
H5C0.0742−0.10720.65010.128*0.50
C5'0.0559 (14)−0.0855 (7)0.690 (2)0.085 (5)*0.50
H5'A0.0069−0.07670.64200.128*0.50
H5'B0.0369−0.10250.75800.128*0.50
H5'C0.0939−0.10410.64330.128*0.50
C90.6243 (10)0.0721 (8)0.771 (2)0.081 (5)*0.50
H9A0.65480.04590.80090.121*0.50
H9B0.65070.09940.80110.121*0.50
H9C0.62660.07220.68490.121*0.50
C9'0.6235 (11)0.0906 (8)0.819 (2)0.081 (5)*0.50
H9'A0.65170.07860.88950.121*0.50
H9'B0.61850.12320.82640.121*0.50
H9'C0.65670.08320.75030.121*0.50
C100.5204 (14)0.0235 (5)0.8409 (18)0.067 (4)*0.50
H10D0.57110.00560.82700.101*0.50
H10E0.47320.01160.79410.101*0.50
H10F0.50620.02220.92400.101*0.50
C10'0.5260 (14)0.0337 (6)0.8911 (16)0.067 (4)*0.50
H10G0.58120.02590.92520.101*0.50
H10H0.50210.00750.85100.101*0.50
H10I0.48790.04320.95330.101*0.50
C110.4938 (17)0.1755 (8)0.8378 (19)0.097 (4)*0.50
H11A0.50790.20600.81350.145*0.50
H11B0.53820.16400.89030.145*0.50
H11C0.43970.17560.87870.145*0.50
C11'0.5275 (16)0.1607 (9)0.8511 (18)0.097 (4)*0.50
H11D0.54130.19270.84930.145*0.50
H11E0.57940.14340.86370.145*0.50
H11F0.48820.15490.91490.145*0.50
C120.4574 (17)0.1859 (7)0.677 (2)0.097 (4)*0.50
H12A0.48960.21210.70360.145*0.50
H12B0.39740.19030.69430.145*0.50
H12C0.46450.18190.59300.145*0.50
C12'0.4557 (17)0.1707 (8)0.6275 (18)0.097 (4)*0.50
H12D0.39780.18120.63940.145*0.50
H12E0.45660.14970.56170.145*0.50
H12F0.49240.19630.61050.145*0.50
C17−0.0382 (14)0.2048 (6)0.7073 (19)0.070 (4)*0.50
H17A−0.08090.22360.66840.105*0.50
H17B0.01760.21880.69950.105*0.50
H17C−0.05170.20190.79030.105*0.50
C17'−0.0328 (14)0.2003 (6)0.6628 (19)0.070 (4)*0.50
H17D−0.01370.20600.58290.105*0.50
H17E−0.01380.22470.71400.105*0.50
H17F−0.09460.19860.66340.105*0.50
C190.2618 (17)0.2274 (8)1.207 (2)0.122 (7)*0.60
H19A0.29560.25481.20190.184*0.60
H19B0.27960.21021.27600.184*0.60
H19C0.20190.23521.21320.184*0.60
C19'0.4180 (19)0.2067 (14)1.171 (3)0.122 (7)*0.40
H19D0.44550.23501.15110.184*0.40
H19E0.45880.18221.16540.184*0.40
H19F0.39720.20841.25170.184*0.40
C200.2952 (13)0.2279 (8)1.0033 (18)0.065 (4)*0.50
H20A0.28860.25951.02380.098*0.50
H20B0.25740.22050.93750.098*0.50
H20C0.35380.22220.98100.098*0.50
C20'0.3282 (13)0.2282 (7)0.9940 (18)0.065 (4)*0.50
H20D0.34970.25811.01260.098*0.50
H20E0.26700.22970.98040.098*0.50
H20F0.35570.21700.92340.098*0.50
C210.4426 (17)0.0973 (7)1.097 (2)0.093 (5)*0.50
H21A0.50310.09921.11590.139*0.50
H21B0.43500.09071.01370.139*0.50
H21C0.41700.07331.14340.139*0.50
C21'0.4250 (16)0.0987 (8)1.147 (2)0.093 (5)*0.50
H21D0.48140.11221.15180.139*0.50
H21E0.41130.09181.06500.139*0.50
H21F0.42410.07111.19300.139*0.50
C220.4572 (18)0.1700 (10)1.187 (3)0.129 (7)*0.50
H22A0.51440.15751.19020.193*0.50
H22B0.43630.17451.26600.193*0.50
H22C0.45840.19881.14560.193*0.50
C22'0.330 (2)0.1107 (10)1.303 (2)0.129 (7)*0.50
H22D0.37990.10961.35430.193*0.50
H22E0.27920.11481.34950.193*0.50
H22F0.33560.13581.24790.193*0.50
C24'0.259 (2)0.1105 (12)1.320 (2)0.139 (9)*0.50
H24C0.20540.10371.35900.208*0.50
H24E0.28850.13431.36290.208*0.50
H24F0.29410.08361.31840.208*0.50
C240.214 (2)0.2198 (9)1.222 (3)0.139 (9)*0.50
H24A0.26310.23511.19010.208*0.50
H24B0.21670.22071.30780.208*0.50
H24D0.16210.23491.19510.208*0.50
C23'0.1513 (14)0.1181 (11)1.192 (3)0.111 (6)*0.50
H23A0.12490.12011.26880.167*0.50
H23D0.14040.08851.15800.167*0.50
H23B0.12760.14121.14030.167*0.50
C230.1510 (17)0.1360 (9)1.203 (3)0.111 (6)*0.50
H23C0.16960.10881.16260.167*0.50
H23G0.09530.14491.17260.167*0.50
H23E0.14740.13001.28690.167*0.50
U11U22U33U12U13U23
W10.03803 (17)0.03657 (17)0.02301 (15)0.00284 (12)−0.00287 (11)−0.00256 (11)
Ag10.0819 (5)0.0585 (4)0.0254 (3)0.0011 (3)−0.0014 (3)0.0026 (3)
S10.0818 (15)0.0361 (10)0.0399 (10)0.0074 (10)−0.0006 (10)−0.0064 (8)
S40.0440 (11)0.0787 (15)0.0403 (11)0.0168 (10)−0.0075 (9)−0.0048 (10)
S30.0440 (11)0.0866 (17)0.0382 (11)−0.0086 (11)0.0012 (9)−0.0017 (10)
S20.0686 (13)0.0385 (10)0.0340 (10)−0.0017 (9)−0.0014 (9)−0.0090 (8)
Nd10.02623 (19)0.02392 (19)0.0491 (2)0.00031 (14)−0.00170 (16)0.00114 (16)
P10.0735 (15)0.0375 (11)0.0485 (12)−0.0155 (10)0.0076 (11)−0.0094 (9)
P20.0305 (10)0.0497 (12)0.0726 (15)−0.0009 (9)0.0057 (10)0.0010 (11)
P30.0286 (9)0.0433 (11)0.0455 (11)0.0068 (8)−0.0020 (8)0.0080 (9)
P40.0746 (16)0.0554 (14)0.0508 (13)−0.0077 (12)−0.0208 (12)0.0031 (11)
O10.050 (3)0.030 (3)0.073 (4)−0.002 (2)−0.004 (3)−0.008 (3)
O40.053 (3)0.040 (3)0.058 (3)−0.002 (2)−0.010 (3)−0.007 (3)
O20.028 (3)0.045 (3)0.083 (4)−0.002 (2)0.008 (3)0.010 (3)
O30.029 (2)0.041 (3)0.058 (3)0.007 (2)−0.003 (2)0.000 (2)
O50.039 (3)0.050 (3)0.066 (4)−0.003 (2)−0.008 (3)0.018 (3)
O60.040 (3)0.047 (3)0.087 (4)0.000 (3)−0.011 (3)0.015 (3)
O70.087 (5)0.086 (5)0.089 (5)−0.012 (4)−0.018 (4)0.047 (4)
O80.061 (4)0.035 (3)0.065 (4)−0.009 (3)−0.004 (3)0.006 (3)
O90.070 (4)0.047 (3)0.053 (3)−0.006 (3)0.005 (3)0.001 (3)
O100.169 (9)0.073 (5)0.079 (5)−0.023 (5)−0.023 (5)0.039 (4)
N10.108 (7)0.065 (5)0.048 (4)−0.025 (5)0.007 (4)−0.015 (4)
N20.128 (8)0.039 (4)0.102 (7)0.008 (5)0.031 (6)0.007 (5)
N30.099 (7)0.096 (7)0.110 (7)−0.063 (6)0.042 (6)−0.058 (6)
N40.033 (4)0.140 (9)0.133 (8)0.010 (5)0.007 (4)0.089 (7)
N50.062 (5)0.139 (9)0.070 (6)−0.022 (6)0.013 (4)0.007 (6)
N60.062 (5)0.073 (6)0.115 (8)−0.007 (4)0.014 (5)0.022 (5)
N70.027 (3)0.063 (4)0.056 (4)0.001 (3)−0.003 (3)0.011 (3)
N80.048 (4)0.056 (4)0.073 (5)0.007 (3)0.009 (4)−0.010 (4)
N90.052 (4)0.074 (5)0.054 (4)0.004 (4)−0.006 (3)0.020 (4)
N130.060 (5)0.044 (4)0.066 (5)−0.010 (3)−0.021 (4)0.014 (4)
N140.064 (5)0.051 (5)0.064 (5)−0.008 (4)0.003 (4)0.016 (4)
C20.167 (14)0.102 (10)0.112 (11)−0.047 (9)0.064 (10)−0.058 (8)
C40.22 (2)0.128 (14)0.132 (14)0.072 (14)−0.005 (14)0.029 (11)
C60.061 (7)0.112 (10)0.125 (11)−0.011 (7)−0.019 (7)0.019 (8)
C70.127 (13)0.29 (3)0.100 (12)−0.083 (15)0.032 (10)−0.004 (13)
C80.082 (8)0.151 (14)0.109 (10)−0.016 (9)0.004 (7)−0.039 (9)
C130.055 (5)0.077 (7)0.085 (7)−0.001 (5)−0.001 (5)0.031 (6)
C140.032 (4)0.100 (8)0.078 (7)−0.004 (5)−0.002 (4)0.006 (6)
C150.075 (7)0.080 (7)0.077 (7)0.015 (6)0.017 (5)−0.017 (6)
C160.074 (7)0.061 (6)0.116 (9)−0.002 (5)0.007 (6)−0.027 (6)
C180.076 (7)0.149 (12)0.065 (7)−0.005 (8)−0.016 (6)0.002 (7)
W1—S42.192 (2)C16—H16C0.9800
W1—S22.1997 (18)C18—H18A0.9800
W1—S32.200 (2)C18—H18B0.9800
W1—S12.204 (2)C18—H18C0.9800
W1—Ag12.9477 (7)N10—C201.436 (16)
W1—Ag1i2.9690 (7)N10—C191.457 (17)
Ag1—S12.492 (2)N10'—C20'1.437 (16)
Ag1—S22.565 (2)N10'—C19'1.484 (18)
Ag1—S3ii2.613 (2)N11—C221.441 (17)
Ag1—S4ii2.620 (2)N11—C211.453 (17)
Ag1—W1ii2.9690 (7)N11'—C21'1.444 (17)
S4—Ag1i2.620 (2)N12—C241.481 (18)
S3—Ag1i2.613 (2)N12—C231.490 (18)
Nd1—O42.325 (5)N12'—C24'1.410 (18)
Nd1—O32.333 (4)N12'—C23'1.451 (18)
Nd1—O22.335 (5)C1—H1A0.9800
Nd1—O12.356 (5)C1—H1B0.9800
Nd1—O92.535 (6)C1—H1C0.9800
Nd1—O82.545 (5)C1'—H1'A0.9800
Nd1—O62.560 (5)C1'—H1'B0.9800
Nd1—O52.562 (5)C1'—H1'C0.9800
Nd1—N142.957 (7)C3—H3A0.9800
Nd1—N132.968 (7)C3—H3B0.9800
P1—O11.471 (5)C3—H3C0.9800
P1—N31.608 (9)C3'—H3'10.9800
P1—N11.639 (8)C3'—H3'20.9800
P1—N21.642 (10)C3'—H3'30.9800
P2—O21.498 (5)C5—H5A0.9800
P2—N41.568 (8)C5—H5B0.9800
P2—N61.623 (9)C5—H5C0.9800
P2—N51.647 (9)C5'—H5'A0.9800
P3—O31.492 (5)C5'—H5'B0.9800
P3—N91.607 (7)C5'—H5'C0.9800
P3—N71.630 (7)C9—H9A0.9800
P3—N81.632 (7)C9—H9B0.9800
P4—O41.479 (6)C9—H9C0.9800
P4—N11'1.557 (17)C9'—H9'A0.9800
P4—N101.561 (15)C9'—H9'B0.9800
P4—N12'1.602 (18)C9'—H9'C0.9800
P4—N10'1.673 (15)C10—H10D0.9800
P4—N111.716 (17)C10—H10E0.9800
P4—N121.729 (18)C10—H10F0.9800
O5—N131.263 (8)C10'—H10G0.9800
O6—N131.258 (9)C10'—H10H0.9800
O7—N131.230 (9)C10'—H10I0.9800
O8—N141.266 (9)C11—H11A0.9800
O9—N141.252 (9)C11—H11B0.9800
O10—N141.230 (9)C11—H11C0.9800
N1—C1'1.415 (16)C11'—H11D0.9800
N1—C11.444 (16)C11'—H11E0.9800
N1—C21.489 (13)C11'—H11F0.9800
N2—C41.367 (17)C12—H12A0.9800
N2—C3'1.472 (18)C12—H12B0.9800
N2—C31.485 (18)C12—H12C0.9800
N3—C5'1.435 (16)C12'—H12D0.9800
N3—C61.446 (14)C12'—H12E0.9800
N3—C51.528 (16)C12'—H12F0.9800
N4—C10'1.461 (15)C17—H17A0.9800
N4—C91.464 (15)C17—H17B0.9800
N4—C101.468 (15)C17—H17C0.9800
N4—C9'1.515 (15)C17'—H17D0.9800
N5—C71.438 (15)C17'—H17E0.9800
N5—C81.465 (15)C17'—H17F0.9800
N6—C121.416 (16)C19—H19A0.9800
N6—C111.428 (16)C19—H19B0.9800
N6—C11'1.498 (16)C19—H19C0.9800
N6—C12'1.512 (16)C19'—H19D0.9800
N7—C131.450 (11)C19'—H19E0.9800
N7—C141.466 (10)C19'—H19F0.9800
N8—C151.453 (11)C20—H20A0.9800
N8—C161.461 (12)C20—H20B0.9800
N9—C17'1.431 (15)C20—H20C0.9800
N9—C181.459 (13)C20'—H20D0.9800
C2—H2A0.9800C20'—H20E0.9800
C2—H2B0.9800C20'—H20F0.9800
C2—H2C0.9800C21—H21A0.9800
C4—H4A0.9800C21—H21B0.9800
C4—H4B0.9800C21—H21C0.9800
C4—H4C0.9800C21'—H21D0.9800
C6—H6A0.9800C21'—H21E0.9800
C6—H6B0.9800C21'—H21F0.9800
C6—H6C0.9800C22—H22A0.9800
C7—H7A0.9800C22—H22B0.9800
C7—H7B0.9800C22—H22C0.9800
C7—H7C0.9800C22'—H22D0.9800
C8—H8A0.9800C22'—H22E0.9800
C8—H8B0.9800C22'—H22F0.9800
C8—H8C0.9800C24'—H24C0.9800
C13—H13A0.9800C24'—H24E0.9800
C13—H13B0.9800C24'—H24F0.9800
C13—H13C0.9800C24—H24A0.9800
C14—H14A0.9800C24—H24B0.9800
C14—H14B0.9800C24—H24D0.9800
C14—H14C0.9800C23'—H23A0.9800
C15—H15A0.9800C23'—H23D0.9800
C15—H15B0.9800C23'—H23B0.9800
C15—H15C0.9800C23—H23C0.9800
C16—H16A0.9800C23—H23G0.9800
C16—H16B0.9800C23—H23E0.9800
S4—W1—S2108.09 (8)N7—C13—H13A109.5
S4—W1—S3110.27 (8)N7—C13—H13B109.5
S2—W1—S3108.49 (8)H13A—C13—H13B109.5
S4—W1—S1108.23 (9)N7—C13—H13C109.5
S2—W1—S1113.22 (7)H13A—C13—H13C109.5
S3—W1—S1108.53 (9)H13B—C13—H13C109.5
S4—W1—Ag1124.95 (6)N7—C14—H14A109.5
S2—W1—Ag157.59 (5)N7—C14—H14B109.5
S3—W1—Ag1124.76 (6)H14A—C14—H14B109.5
S1—W1—Ag155.63 (5)N7—C14—H14C109.5
S4—W1—Ag1i58.73 (6)H14A—C14—H14C109.5
S2—W1—Ag1i147.62 (6)H14B—C14—H14C109.5
S3—W1—Ag1i58.49 (6)N8—C15—H15A109.5
S1—W1—Ag1i99.16 (5)N8—C15—H15B109.5
Ag1—W1—Ag1i154.786 (12)H15A—C15—H15B109.5
S1—Ag1—S293.26 (7)N8—C15—H15C109.5
S1—Ag1—S3ii119.74 (8)H15A—C15—H15C109.5
S2—Ag1—S3ii120.87 (8)H15B—C15—H15C109.5
S1—Ag1—S4ii120.13 (8)N8—C16—H16A109.5
S2—Ag1—S4ii118.69 (8)N8—C16—H16B109.5
S3ii—Ag1—S4ii87.06 (7)H16A—C16—H16B109.5
S1—Ag1—W146.87 (5)N8—C16—H16C109.5
S2—Ag1—W146.40 (4)H16A—C16—H16C109.5
S3ii—Ag1—W1136.97 (5)H16B—C16—H16C109.5
S4ii—Ag1—W1135.97 (5)N9—C18—H18A109.5
S1—Ag1—W1ii149.31 (5)N9—C18—H18B109.5
S2—Ag1—W1ii117.42 (5)H18A—C18—H18B109.5
S3ii—Ag1—W1ii45.88 (5)N9—C18—H18C109.5
S4ii—Ag1—W1ii45.65 (4)H18A—C18—H18C109.5
W1—Ag1—W1ii163.81 (3)H18B—C18—H18C109.5
W1—S1—Ag177.50 (6)C20—N10—C19111.7 (18)
W1—S4—Ag1i75.63 (6)C20—N10—P4121.7 (14)
W1—S3—Ag1i75.63 (6)C19—N10—P4123.0 (15)
W1—S2—Ag176.02 (6)C20'—N10'—C19'121 (2)
O4—Nd1—O392.58 (18)C20'—N10'—P4122.4 (13)
O4—Nd1—O288.6 (2)C19'—N10'—P4115.9 (18)
O3—Nd1—O2157.18 (18)C22—N11—C21113 (2)
O4—Nd1—O1158.12 (19)C22—N11—P4122.4 (17)
O3—Nd1—O194.92 (18)C21—N11—P4123.9 (16)
O2—Nd1—O192.36 (19)C21'—N11'—P4118.7 (16)
O4—Nd1—O9127.51 (19)C24—N12—C23131 (2)
O3—Nd1—O979.69 (19)C24—N12—P4122.0 (18)
O2—Nd1—O981.6 (2)C23—N12—P4106.9 (17)
O1—Nd1—O974.15 (19)C24'—N12'—C23'103 (2)
O4—Nd1—O877.58 (19)C24'—N12'—P4134.4 (19)
O3—Nd1—O877.30 (18)C23'—N12'—P4121.9 (19)
O2—Nd1—O880.71 (18)N1—C1—H1A109.5
O1—Nd1—O8124.14 (19)N1—C1—H1B109.5
O9—Nd1—O849.99 (18)H1A—C1—H1B109.5
O4—Nd1—O678.53 (19)N1—C1—H1C109.5
O3—Nd1—O6125.83 (19)H1A—C1—H1C109.5
O2—Nd1—O676.72 (19)H1B—C1—H1C109.5
O1—Nd1—O680.42 (19)N1—C1'—H1'A109.5
O9—Nd1—O6145.6 (2)N1—C1'—H1'B109.5
O8—Nd1—O6147.32 (18)H1'A—C1'—H1'B109.5
O4—Nd1—O579.80 (19)N1—C1'—H1'C109.5
O3—Nd1—O576.02 (17)H1'A—C1'—H1'C109.5
O2—Nd1—O5126.49 (18)H1'B—C1'—H1'C109.5
O1—Nd1—O582.12 (19)N2—C3—H3A109.5
O9—Nd1—O5144.21 (18)N2—C3—H3B109.5
O8—Nd1—O5143.91 (19)H3A—C3—H3B109.5
O6—Nd1—O549.82 (17)N2—C3—H3C109.5
O4—Nd1—N14102.8 (2)H3A—C3—H3C109.5
O3—Nd1—N1475.88 (19)H3B—C3—H3C109.5
O2—Nd1—N1481.6 (2)N2—C3'—H3'1109.5
O1—Nd1—N1499.0 (2)N2—C3'—H3'2109.5
O9—Nd1—N1424.87 (19)H3'1—C3'—H3'2109.5
O8—Nd1—N1425.19 (19)N2—C3'—H3'3109.5
O6—Nd1—N14158.3 (2)H3'1—C3'—H3'3109.5
O5—Nd1—N14151.87 (19)H3'2—C3'—H3'3109.5
O4—Nd1—N1375.94 (19)N3—C5—H5A109.5
O3—Nd1—N13100.9 (2)N3—C5—H5B109.5
O2—Nd1—N13101.4 (2)H5A—C5—H5B109.5
O1—Nd1—N1382.5 (2)N3—C5—H5C109.5
O9—Nd1—N13156.55 (19)H5A—C5—H5C109.5
O8—Nd1—N13153.4 (2)H5B—C5—H5C109.5
O6—Nd1—N1324.93 (18)N3—C5'—H5'A109.5
O5—Nd1—N1325.05 (18)N3—C5'—H5'B109.5
N14—Nd1—N13176.6 (2)H5'A—C5'—H5'B109.5
O1—P1—N3110.4 (4)N3—C5'—H5'C109.5
O1—P1—N1110.5 (4)H5'A—C5'—H5'C109.5
N3—P1—N1114.9 (5)H5'B—C5'—H5'C109.5
O1—P1—N2114.4 (4)N4—C9—H9A109.5
N3—P1—N2104.1 (6)N4—C9—H9B109.5
N1—P1—N2102.2 (5)H9A—C9—H9B109.5
O2—P2—N4109.3 (4)N4—C9—H9C109.5
O2—P2—N6118.6 (4)H9A—C9—H9C109.5
N4—P2—N6106.6 (5)H9B—C9—H9C109.5
O2—P2—N5108.9 (4)N4—C9'—H9'A109.5
N4—P2—N5114.8 (6)N4—C9'—H9'B109.5
N6—P2—N598.5 (5)H9'A—C9'—H9'B109.5
O3—P3—N9111.6 (3)N4—C9'—H9'C109.5
O3—P3—N7108.4 (3)H9'A—C9'—H9'C109.5
N9—P3—N7109.2 (4)H9'B—C9'—H9'C109.5
O3—P3—N8111.1 (3)N4—C10—H10D109.5
N9—P3—N8107.1 (4)N4—C10—H10E109.5
N7—P3—N8109.3 (4)H10D—C10—H10E109.5
O4—P4—N11'123.5 (7)N4—C10—H10F109.5
O4—P4—N10109.3 (6)H10D—C10—H10F109.5
N11'—P4—N10122.5 (8)H10E—C10—H10F109.5
O4—P4—N12'107.1 (7)N4—C10'—H10G109.5
N11'—P4—N12'75.6 (9)N4—C10'—H10H109.5
N10—P4—N12'110.7 (9)H10G—C10'—H10H109.5
O4—P4—N10'112.3 (6)N4—C10'—H10I109.5
N11'—P4—N10'94.6 (8)H10G—C10'—H10I109.5
N12'—P4—N10'137.7 (8)H10H—C10'—H10I109.5
O4—P4—N11105.3 (6)N6—C11—H11A109.5
N10—P4—N11112.7 (8)N6—C11—H11B109.5
N12'—P4—N11111.5 (9)H11A—C11—H11B109.5
N10'—P4—N1172.6 (8)N6—C11—H11C109.5
O4—P4—N12115.3 (6)H11A—C11—H11C109.5
N11'—P4—N12110.9 (9)H11B—C11—H11C109.5
N10—P4—N1257.2 (8)N6—C11'—H11D109.5
N12'—P4—N1254.2 (8)N6—C11'—H11E109.5
N10'—P4—N1294.1 (8)H11D—C11'—H11E109.5
N11—P4—N12139.3 (8)N6—C11'—H11F109.5
P1—O1—Nd1167.7 (4)H11D—C11'—H11F109.5
P4—O4—Nd1168.7 (4)H11E—C11'—H11F109.5
P2—O2—Nd1160.0 (3)N6—C12—H12A109.5
P3—O3—Nd1167.4 (3)N6—C12—H12B109.5
N13—O5—Nd195.8 (4)H12A—C12—H12B109.5
N13—O6—Nd196.0 (4)N6—C12—H12C109.5
N14—O8—Nd195.9 (4)H12A—C12—H12C109.5
N14—O9—Nd196.8 (5)H12B—C12—H12C109.5
C1'—N1—C2113.6 (14)N6—C12'—H12D109.5
C1—N1—C2115.3 (14)N6—C12'—H12E109.5
C1'—N1—P1125.3 (13)H12D—C12'—H12E109.5
C1—N1—P1116.5 (13)N6—C12'—H12F109.5
C2—N1—P1120.5 (8)H12D—C12'—H12F109.5
C4—N2—C3'96 (2)H12E—C12'—H12F109.5
C4—N2—C3112 (2)H17A—C17—H17B109.5
C4—N2—P1127.5 (10)H17A—C17—H17C109.5
C3'—N2—P1122.8 (19)H17B—C17—H17C109.5
C3—N2—P1118.8 (19)N9—C17'—H17D109.5
C5'—N3—C6104.0 (13)N9—C17'—H17E109.5
C6—N3—C5126.3 (12)H17D—C17'—H17E109.5
C5'—N3—P1127.9 (12)N9—C17'—H17F109.5
C6—N3—P1122.3 (8)H17D—C17'—H17F109.5
C5—N3—P1111.4 (11)H17E—C17'—H17F109.5
C10'—N4—C9109.3 (14)N10—C19—H19A109.5
C9—N4—C10106.1 (14)N10—C19—H19B109.5
C10'—N4—C9'110.4 (14)H19A—C19—H19B109.5
C10—N4—C9'121.1 (14)N10—C19—H19C109.5
C10'—N4—P2126.2 (10)H19A—C19—H19C109.5
C9—N4—P2122.3 (11)H19B—C19—H19C109.5
C10—N4—P2116.5 (10)N10'—C19'—H19D109.5
C9'—N4—P2121.5 (11)N10'—C19'—H19E109.5
C7—N5—C8112.3 (11)H19D—C19'—H19E109.5
C7—N5—P2122.0 (9)N10'—C19'—H19F109.5
C8—N5—P2119.1 (8)H19D—C19'—H19F109.5
C12—N6—C1186.0 (16)H19E—C19'—H19F109.5
C12—N6—C11'109.8 (16)N10—C20—H20A109.5
C11—N6—C12'114.6 (16)N10—C20—H20B109.5
C11'—N6—C12'136.9 (17)H20A—C20—H20B109.5
C12—N6—P2135.9 (13)N10—C20—H20C109.5
C11—N6—P2125.4 (13)H20A—C20—H20C109.5
C11'—N6—P2110.4 (12)H20B—C20—H20C109.5
C12'—N6—P2112.4 (12)N10'—C20'—H20D109.5
C13—N7—C14114.5 (7)N10'—C20'—H20E109.5
C13—N7—P3120.2 (5)H20D—C20'—H20E109.5
C14—N7—P3122.5 (6)N10'—C20'—H20F109.5
C15—N8—C16114.3 (8)H20D—C20'—H20F109.5
C15—N8—P3125.3 (7)H20E—C20'—H20F109.5
C16—N8—P3119.6 (6)N11—C21—H21A109.5
C17'—N9—C18103.7 (11)N11—C21—H21B109.5
C17'—N9—P3136.4 (11)H21A—C21—H21B109.5
C18—N9—P3119.4 (7)N11—C21—H21C109.5
O7—N13—O6122.7 (7)H21A—C21—H21C109.5
O7—N13—O5119.6 (8)H21B—C21—H21C109.5
O6—N13—O5117.6 (7)N11'—C21'—H21D109.5
O7—N13—Nd1171.7 (6)N11'—C21'—H21E109.5
O6—N13—Nd159.0 (4)H21D—C21'—H21E109.5
O5—N13—Nd159.2 (4)N11'—C21'—H21F109.5
O10—N14—O9121.2 (8)H21D—C21'—H21F109.5
O10—N14—O8121.8 (8)H21E—C21'—H21F109.5
O9—N14—O8117.0 (7)N11—C22—H22A109.5
O10—N14—Nd1174.2 (7)N11—C22—H22B109.5
O9—N14—Nd158.4 (4)H22A—C22—H22B109.5
O8—N14—Nd158.9 (4)N11—C22—H22C109.5
N1—C2—H2A109.5H22A—C22—H22C109.5
N1—C2—H2B109.5H22B—C22—H22C109.5
H2A—C2—H2B109.5H22D—C22'—H22E109.5
N1—C2—H2C109.5H22D—C22'—H22F109.5
H2A—C2—H2C109.5H22E—C22'—H22F109.5
H2B—C2—H2C109.5N12'—C24'—H24C109.5
N2—C4—H4A109.5N12'—C24'—H24E109.5
N2—C4—H4B109.5H24C—C24'—H24E109.5
H4A—C4—H4B109.5N12'—C24'—H24F109.5
N2—C4—H4C109.5H24C—C24'—H24F109.5
H4A—C4—H4C109.5H24E—C24'—H24F109.5
H4B—C4—H4C109.5N12—C24—H24A109.5
N3—C6—H6A109.5N12—C24—H24B109.5
N3—C6—H6B109.5H24A—C24—H24B109.5
H6A—C6—H6B109.5N12—C24—H24D109.5
N3—C6—H6C109.5H24A—C24—H24D109.5
H6A—C6—H6C109.5H24B—C24—H24D109.5
H6B—C6—H6C109.5N12'—C23'—H23A109.5
N5—C7—H7A109.5N12'—C23'—H23D109.5
N5—C7—H7B109.5H23A—C23'—H23D109.5
H7A—C7—H7B109.5N12'—C23'—H23B109.5
N5—C7—H7C109.5H23A—C23'—H23B109.5
H7A—C7—H7C109.5H23D—C23'—H23B109.5
H7B—C7—H7C109.5N12—C23—H23C109.5
N5—C8—H8A109.5N12—C23—H23G109.5
N5—C8—H8B109.5H23C—C23—H23G109.5
H8A—C8—H8B109.5N12—C23—H23E109.5
N5—C8—H8C109.5H23C—C23—H23E109.5
H8A—C8—H8C109.5H23G—C23—H23E109.5
H8B—C8—H8C109.5
  1 in total

1.  A short history of SHELX.

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

  1 in total
  8 in total

1.  catena-Poly[[tetra-kis-(hexa-methyl-phospho-ramide-κO)bis-(nitrato-κO,O')yttrium(III)] [silver(I)-di-μ-sulfido-molybdenum(VI)-di-μ-sulfido]].

Authors:  Jinfang Zhang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-08-06

2.  catena-Poly[[tetra-kis-(hexa-methyl-phospho-ramide-κO)bis-(nitrato-κO,O')dysprosium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]].

Authors:  Hongyang Wei; Jinfang Zhang; Chi Zhang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-09-04

3.  catena-Poly[[tetra-kis-(hexa-methyl-phospho-ramide-κO)bis-(nitrato-κO,O')cerium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]].

Authors:  Hongyang Wei; Jinfang Zhang; Chi Zhang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-11-27

4.  catena-Poly[[tetra-kis-(hexa-methyl-phospho-ramide-κO)bis-(nitrato-κO,O')holmium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]].

Authors:  Juxiang Zeng; Guodong Tang; Changmei Wei
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-11-09

5.  catena-Poly[[tetra-kis-(hexa-methyl-phospho-ramide-κO)bis-(nitrato-κO,O')samarium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]].

Authors:  Jinfang Zhang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-09-14

6.  catena-Poly[[tetra-kis-(hexa-methyl-phospho-ramide-κO)bis-(nitrato-κ(2)O,O')terbium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]].

Authors:  Jinfang Zhang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-05-31

7.  catena-Poly[[tetra-kis-(hexa-methyl-phospho-ramide-κO)bis-(nitrato-κ(2)O,O')lutetium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]].

Authors:  Jinfang Zhang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-05-16

8.  catena-Poly[[tetra-kis-(hexa-methyl-phospho-ramide-κO)bis-(nitrato-κ(2) O,O')erbium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]].

Authors:  Hongyang Wei; Jinfang Zhang; Chi Zhang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-12-12
  8 in total

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