Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
In the title layered coordination polymer, [Sr(C8H10O4)]n, the strontium ion adopts a distorted square-anti­prismatic SrO8 geometry, arising from its coordination by six different cis-cyclo­hexane-1,2-dicarboxyl­ate dianions (two bidentate and four monodentate). Within the dianion, the cyclo­hexane ring adopts a chair conformation and the dihedral angle between the planes of the -CO2- groups is 80.4 (6)°. The polyhedral linkage pattern leads to (100) sheets in the crystal in which the SrO8 groups share triangular faces and edges in which the Sr...Sr topological connectivity is a 63 net. The crystal studied was a nonmerohedral twin, with the components related by a 180° rotation about [100].

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270110021165/su3046sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270110021165/su3046Isup2.hkl
Contains datablock I

CCDC reference: 786804

Computing details top

Data collection: COLLECT (Nonius, 1998); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO (Otwinowski & Minor, 1997) and SCALEPACK, EVALCCD (Duisenberg et al., 2003) and SORTAV (Blessing, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Poly[(µ6-rac-cis-cyclohexane-1,2-dicarboxylato)strontium] top
Crystal data top
[Sr(C8H10O4)]F(000) = 512
Mr = 257.78Dx = 1.910 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 2134 reflections
a = 13.3937 (4) Åθ = 2.9–27.5°
b = 7.0389 (2) ŵ = 5.99 mm1
c = 9.9710 (2) ÅT = 120 K
β = 107.555 (2)°Blade, colourless
V = 896.26 (4) Å30.45 × 0.10 × 0.03 mm
Z = 4
Data collection top
Nonius KappaCCD
diffractometer
2054 independent reflections
Radiation source: fine-focus sealed tube1856 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.000
ω and φ scansθmax = 27.5°, θmin = 3.3°
Absorption correction: multi-scan
(TWINABS; Bruker, 2003)
h = 017
Tmin = 0.173, Tmax = 0.841k = 90
2054 measured reflectionsl = 1212
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.057H-atom parameters constrained
wR(F2) = 0.162 w = 1/[σ2(Fo2) + (0.0964P)2 + 6.9207P]
where P = (Fo2 + 2Fc2)/3
S = 1.07(Δ/σ)max = 0.001
2054 reflectionsΔρmax = 1.26 e Å3
119 parametersΔρmin = 2.29 e Å3
0 restraintsExtinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.017 (4)
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sr10.51212 (4)0.50850 (7)0.31083 (6)0.0089 (3)
C10.2672 (5)0.1440 (9)0.4152 (7)0.0116 (13)
H10.28400.15710.51950.014*
C20.2706 (5)0.0700 (10)0.3831 (7)0.0123 (13)
H20.22480.13390.43230.015*
C30.2256 (6)0.1219 (10)0.2281 (7)0.0157 (14)
H3A0.22380.26190.21760.019*
H3B0.27090.06970.17490.019*
C40.1147 (5)0.0421 (12)0.1684 (8)0.0205 (15)
H4A0.08870.06860.06620.025*
H4B0.06760.10700.21370.025*
C50.1114 (6)0.1702 (11)0.1925 (8)0.0193 (15)
H5A0.03840.21600.15480.023*
H5B0.15420.23630.14140.023*
C60.1533 (5)0.2172 (10)0.3492 (7)0.0160 (14)
H6A0.10720.15860.39890.019*
H6B0.15170.35650.36190.019*
C70.3426 (5)0.2733 (9)0.3694 (7)0.0107 (12)
C80.3817 (5)0.1491 (9)0.4510 (7)0.0086 (12)
O10.3679 (3)0.2369 (6)0.2596 (5)0.0118 (9)
O20.3750 (4)0.4198 (7)0.4420 (5)0.0129 (9)
O30.4409 (4)0.1796 (7)0.3749 (5)0.0131 (10)
O40.4093 (3)0.1808 (7)0.5823 (5)0.0116 (9)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sr10.0076 (3)0.0091 (3)0.0094 (3)0.00002 (18)0.0014 (3)0.0003 (2)
C10.009 (3)0.016 (3)0.009 (3)0.001 (2)0.001 (2)0.001 (2)
C20.010 (3)0.015 (3)0.009 (3)0.002 (3)0.001 (2)0.000 (2)
C30.018 (3)0.015 (3)0.013 (3)0.005 (3)0.004 (3)0.001 (3)
C40.006 (3)0.030 (4)0.020 (4)0.002 (3)0.003 (3)0.005 (3)
C50.009 (3)0.025 (4)0.019 (3)0.005 (3)0.002 (3)0.003 (3)
C60.006 (3)0.022 (4)0.017 (3)0.004 (3)0.000 (2)0.003 (3)
C70.005 (3)0.011 (3)0.013 (3)0.006 (2)0.001 (2)0.000 (2)
C80.008 (3)0.009 (3)0.008 (3)0.003 (2)0.001 (2)0.000 (2)
O10.0068 (19)0.015 (2)0.012 (2)0.0023 (17)0.0006 (17)0.0004 (19)
O20.014 (2)0.012 (2)0.012 (2)0.0000 (19)0.0027 (18)0.0007 (17)
O30.011 (2)0.013 (2)0.015 (2)0.0014 (17)0.0022 (18)0.0023 (18)
O40.007 (2)0.013 (2)0.012 (2)0.0011 (16)0.0005 (17)0.0004 (17)
Geometric parameters (Å, º) top
Sr1—O3i2.506 (5)C3—H3B0.9900
Sr1—O1i2.518 (4)C4—C51.516 (11)
Sr1—O2ii2.523 (5)C4—H4A0.9900
Sr1—O3iii2.550 (5)C4—H4B0.9900
Sr1—O4iv2.582 (4)C5—C61.529 (9)
Sr1—O4v2.625 (5)C5—H5A0.9900
Sr1—O22.631 (5)C5—H5B0.9900
Sr1—O12.656 (4)C6—H6A0.9900
Sr1—Sr1vi3.7049 (4)C6—H6B0.9900
Sr1—Sr1i3.7049 (4)C7—O21.260 (8)
Sr1—Sr1ii3.8846 (12)C7—O11.266 (8)
C1—C71.529 (9)C8—O41.268 (8)
C1—C21.544 (9)C8—O31.270 (8)
C1—C61.555 (9)O1—Sr1vi2.518 (4)
C1—H11.0000O2—Sr1ii2.523 (5)
C2—C31.524 (9)O3—Sr1vi2.506 (5)
C2—C81.541 (9)O3—Sr1vii2.550 (5)
C2—H21.0000O4—Sr1viii2.582 (4)
C3—C41.530 (10)O4—Sr1v2.625 (5)
C3—H3A0.9900
O3i—Sr1—O1i78.92 (15)C2—C3—H3A109.6
O3i—Sr1—O2ii128.14 (15)C4—C3—H3A109.6
O1i—Sr1—O2ii84.26 (15)C2—C3—H3B109.6
O3i—Sr1—O3iii146.71 (13)C4—C3—H3B109.6
O1i—Sr1—O3iii80.70 (15)H3A—C3—H3B108.1
O2ii—Sr1—O3iii75.07 (15)C5—C4—C3111.8 (6)
O3i—Sr1—O4iv77.40 (15)C5—C4—H4A109.3
O1i—Sr1—O4iv70.71 (14)C3—C4—H4A109.3
O2ii—Sr1—O4iv140.45 (15)C5—C4—H4B109.3
O3iii—Sr1—O4iv71.13 (15)C3—C4—H4B109.3
O3i—Sr1—O4v71.12 (15)H4A—C4—H4B107.9
O1i—Sr1—O4v117.56 (14)C4—C5—C6110.8 (6)
O2ii—Sr1—O4v74.36 (15)C4—C5—H5A109.5
O3iii—Sr1—O4v142.13 (15)C6—C5—H5A109.5
O4iv—Sr1—O4v144.39 (14)C4—C5—H5B109.5
O3i—Sr1—O2127.62 (15)C6—C5—H5B109.5
O1i—Sr1—O2152.86 (15)H5A—C5—H5B108.1
O2ii—Sr1—O282.18 (16)C5—C6—C1111.8 (6)
O3iii—Sr1—O273.14 (15)C5—C6—H6A109.3
O4iv—Sr1—O2106.48 (15)C1—C6—H6A109.3
O4v—Sr1—O281.04 (15)C5—C6—H6B109.3
O3i—Sr1—O178.90 (15)C1—C6—H6B109.3
O1i—Sr1—O1153.43 (5)H6A—C6—H6B107.9
O2ii—Sr1—O1121.24 (15)O2—C7—O1121.8 (6)
O3iii—Sr1—O1111.26 (14)O2—C7—C1117.4 (6)
O4iv—Sr1—O190.27 (14)O1—C7—C1120.8 (6)
O4v—Sr1—O167.97 (13)O2—C7—Sr160.7 (3)
O2—Sr1—O149.35 (14)O1—C7—Sr161.9 (3)
Sr1vi—Sr1—Sr1i143.59 (4)C1—C7—Sr1172.8 (4)
Sr1vi—Sr1—Sr1ii105.31 (2)O4—C8—O3123.2 (6)
Sr1i—Sr1—Sr1ii108.81 (2)O4—C8—C2117.3 (6)
C7—C1—C2117.1 (6)O3—C8—C2119.5 (5)
C7—C1—C6109.2 (5)C7—O1—Sr1vi136.9 (4)
C2—C1—C6108.8 (5)C7—O1—Sr193.2 (4)
C7—C1—H1107.1Sr1vi—O1—Sr191.43 (14)
C2—C1—H1107.1C7—O2—Sr1ii136.6 (4)
C6—C1—H1107.1C7—O2—Sr194.6 (4)
C3—C2—C8113.2 (6)Sr1ii—O2—Sr197.82 (16)
C3—C2—C1114.6 (6)C8—O3—Sr1vi133.9 (4)
C8—C2—C1110.3 (5)C8—O3—Sr1vii130.0 (4)
C3—C2—H2106.0Sr1vi—O3—Sr1vii94.22 (16)
C8—C2—H2106.0C8—O4—Sr1viii137.7 (4)
C1—C2—H2106.0C8—O4—Sr1v122.0 (4)
C2—C3—C4110.3 (6)Sr1viii—O4—Sr1v90.71 (14)
C7—C1—C2—C371.7 (7)O3iii—Sr1—O1—Sr1vi175.42 (14)
C6—C1—C2—C352.7 (8)O4iv—Sr1—O1—Sr1vi105.62 (15)
C7—C1—C2—C857.5 (7)O4v—Sr1—O1—Sr1vi45.44 (13)
C6—C1—C2—C8178.2 (5)O2—Sr1—O1—Sr1vi142.7 (2)
C8—C2—C3—C4179.0 (6)C7—Sr1—O1—Sr1vi137.1 (4)
C1—C2—C3—C453.4 (8)O1—C7—O2—Sr1ii117.0 (6)
C2—C3—C4—C554.6 (8)C1—C7—O2—Sr1ii65.6 (8)
C3—C4—C5—C657.7 (9)O1—C7—O2—Sr110.5 (6)
C4—C5—C6—C157.8 (8)C1—C7—O2—Sr1172.1 (5)
C7—C1—C6—C575.0 (7)O3i—Sr1—O2—C75.3 (4)
C2—C1—C6—C553.9 (7)O1i—Sr1—O2—C7161.0 (3)
C2—C1—C7—O2149.6 (6)O2ii—Sr1—O2—C7138.3 (4)
C6—C1—C7—O286.2 (7)O3iii—Sr1—O2—C7145.0 (4)
C2—C1—C7—O133.0 (8)O4iv—Sr1—O2—C781.3 (4)
C6—C1—C7—O191.2 (7)O4v—Sr1—O2—C763.0 (4)
C3—C2—C8—O4152.9 (6)O1—Sr1—O2—C75.6 (3)
C1—C2—C8—O477.2 (7)O3i—Sr1—O2—Sr1ii132.94 (16)
C3—C2—C8—O327.1 (8)O1i—Sr1—O2—Sr1ii60.7 (4)
C1—C2—C8—O3102.8 (6)O2ii—Sr1—O2—Sr1ii0.0
O2—C7—O1—Sr1vi106.0 (7)O3iii—Sr1—O2—Sr1ii76.69 (16)
C1—C7—O1—Sr1vi76.7 (7)O4iv—Sr1—O2—Sr1ii140.45 (15)
O2—C7—O1—Sr110.4 (6)O4v—Sr1—O2—Sr1ii75.29 (16)
C1—C7—O1—Sr1172.3 (5)O1—Sr1—O2—Sr1ii143.9 (2)
O3i—Sr1—O1—C7165.6 (4)C7—Sr1—O2—Sr1ii138.3 (4)
O1i—Sr1—O1—C7160.5 (4)O4—C8—O3—Sr1vi133.7 (5)
O2ii—Sr1—O1—C737.5 (4)C2—C8—O3—Sr1vi46.4 (8)
O3iii—Sr1—O1—C747.5 (4)O4—C8—O3—Sr1vii66.2 (8)
O4iv—Sr1—O1—C7117.3 (3)C2—C8—O3—Sr1vii113.8 (6)
O4v—Sr1—O1—C791.7 (3)O3—C8—O4—Sr1viii83.7 (8)
O2—Sr1—O1—C75.6 (3)C2—C8—O4—Sr1viii96.3 (7)
O3i—Sr1—O1—Sr1vi28.51 (14)O3—C8—O4—Sr1v51.5 (8)
O1i—Sr1—O1—Sr1vi62.4 (3)C2—C8—O4—Sr1v128.5 (5)
O2ii—Sr1—O1—Sr1vi99.59 (17)
Symmetry codes: (i) x+1, y+1/2, z+1/2; (ii) x+1, y+1, z+1; (iii) x, y+1, z; (iv) x, y+1/2, z1/2; (v) x+1, y, z+1; (vi) x+1, y1/2, z+1/2; (vii) x, y1, z; (viii) x, y+1/2, z+1/2.
 

Subscribe to Acta Crystallographica Section C: Structural Chemistry

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

Follow Acta Cryst. C
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds