catena-Poly[[tri­methyl­tin(IV)]-μ-methyl­phenyl­phosphinato-κ²O:O′]

A new tri­methyl­tin(IV) coordination polymer, [Sn(CH₃)₃(C₇H₈O₂P)], has been prepared by treatment of methyl­phenyl­phosphinic acid and tri­methyl­tin chloride with sodium ethoxide in methanol. In the solid state, the title compound adopts an infinite one-dimensional polymeric chain structure with each Sn^IV atom adopting a distorted trigonal–bipyramidal geometry.

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean [sigma](C-C) = 0.025 Å
• R factor = 0.085
• wR factor = 0.266
• Data-to-parameter ratio = 18.1

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT973_ALERT_2_A Check Calcd Positive Residual Density on     Sn1       3.27 eA-3

Author Response: ... while high peaks close to heavy metal atoms are not uncommon, these peaks are exceptionally large and may be either signal a problem with the absorption correction that was applied or indicate a degree of unresolved disorder involving the Sn1 atom.

Alert level B
PLAT342_ALERT_3_B Low Bond Precision on  C-C Bonds ...............    0.02467 Ang.
PLAT971_ALERT_2_B Check Calcd Residual Density  1.04A From     Sn1       2.95 eA-3
PLAT971_ALERT_2_B Check Calcd Residual Density  0.93A From     Sn1       2.69 eA-3

Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.12
            Rint given   0.120
PLAT084_ALERT_3_C High wR2 Value (i.e. > 0.25) ...................       0.27 Report
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of         O1 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of        Sn1 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of         P1 Check
PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ...     -4.450 Report
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595         14 Report
PLAT971_ALERT_2_C Check Calcd Residual Density  1.06A From     Sn1       2.05 eA-3
PLAT971_ALERT_2_C Check Calcd Residual Density  1.08A From     Sn1       1.84 eA-3
PLAT972_ALERT_2_C Check Calcd Residual Density  1.04A From     Sn1      -2.41 eA-3
PLAT972_ALERT_2_C Check Calcd Residual Density  0.95A From     Sn1      -2.28 eA-3
PLAT972_ALERT_2_C Check Calcd Residual Density  1.05A From     Sn1      -2.10 eA-3
PLAT972_ALERT_2_C Check Calcd Residual Density  1.14A From     Sn1      -2.06 eA-3
PLAT972_ALERT_2_C Check Calcd Residual Density  0.90A From     Sn1      -2.05 eA-3
PLAT972_ALERT_2_C Check Calcd Residual Density  0.94A From     Sn1      -1.88 eA-3
PLAT975_ALERT_2_C Check Calcd Residual Density  0.67A From      O1       0.68 eA-3
PLAT977_ALERT_2_C Check the Negative Difference Density on     H7C      -0.58 eA-3
PLAT977_ALERT_2_C Check the Negative Difference Density on     H9B      -0.58 eA-3
PLAT978_ALERT_2_C Number C-C Bonds with Positive Residual Density.          0 Info

Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          1 Info
PLAT072_ALERT_2_G SHELXL First  Parameter in WGHT  Unusually Large       0.17 Report
PLAT793_ALERT_4_G The Model has Chirality at P1      (Centro SPGR)          S Verify
PLAT909_ALERT_3_G Percentage of I>2sig(I) Data at Theta(Max) Still        45% Note

   1 ALERT level A = Most likely a serious problem - resolve or explain
   3 ALERT level B = A potentially serious problem, consider carefully
  19 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   4 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  19 ALERT type 2 Indicator that the structure model may be wrong or deficient
   6 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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Computing details

Data collection: APEX3 (Bruker, 2016); cell refinement: SAINT (Bruker, 2016); data reduction: SAINT (Bruker, 2016); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: Mercury (Macrae et al., 2008); software used to prepare material for publication: publCIF (Westrip, 2010).

catena-Poly[[trimethyltin(IV)]-µ-methylphenylphosphinato-κ²O:O']

Crystal data

[Sn(CH3)3(C7H8O2P)]	F(000) = 632
Mr = 318.89	Dx = 1.567 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 10.8051 (11) Å	Cell parameters from 2834 reflections
b = 10.3376 (13) Å	θ = 2.3–27.2°
c = 12.4466 (15) Å	µ = 1.99 mm^−1
β = 103.485 (1)°	T = 298 K
V = 1351.9 (3) Å^3	Block, colorless
Z = 4	0.48 × 0.45 × 0.33 mm

Data collection

Bruker APEXIII CCD area detector diffractometer	1581 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.120
phi and ω scans	θmax = 25.0°, θmin = 2.3°
Absorption correction: multi-scan (SADABS; Bruker, 2016)	h = −12→12
Tmin = 0.449, Tmax = 0.560	k = −12→9
5890 measured reflections	l = −13→14
2371 independent reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.085	H-atom parameters constrained
wR(F^2) = 0.266	w = 1/[σ^2(Fo^2) + (0.1668P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max < 0.001
2371 reflections	Δρmax = 2.75 e Å^−3
131 parameters	Δρmin = −2.29 e Å^−3

Special details

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.

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

	x	y	z	Uiso*/Ueq
Sn1	0.79793 (7)	0.62599 (8)	0.22275 (6)	0.0396 (4)
P1	0.8534 (4)	0.3397 (3)	0.1053 (3)	0.0471 (9)
O1	0.8773 (10)	0.4803 (8)	0.1248 (8)	0.067 (3)
O2	0.7787 (10)	0.2766 (9)	0.1787 (8)	0.066 (3)
C1	1.0072 (12)	0.2600 (11)	0.1224 (10)	0.044 (3)
C2	1.1181 (14)	0.3355 (15)	0.1300 (13)	0.064 (4)
H2	1.1134	0.4253	0.1277	0.077*
C3	1.2345 (15)	0.273 (2)	0.1408 (14)	0.085 (5)
H3	1.3083	0.3213	0.1458	0.102*
C4	1.2404 (18)	0.1382 (18)	0.1441 (15)	0.081 (5)
H4	1.3180	0.0964	0.1503	0.097*
C5	1.1335 (18)	0.0686 (18)	0.1384 (13)	0.078 (5)
H5	1.1388	−0.0211	0.1432	0.094*
C6	1.0176 (16)	0.1269 (13)	0.1256 (13)	0.061 (4)
H6	0.9450	0.0765	0.1190	0.073*
C7	0.7727 (16)	0.3131 (19)	−0.0378 (12)	0.080 (5)
H7A	0.7518	0.2231	−0.0490	0.119*
H7B	0.8275	0.3384	−0.0847	0.119*
H7C	0.6961	0.3637	−0.0554	0.119*
C8	0.9178 (13)	0.7666 (12)	0.1790 (12)	0.055 (3)
H8A	0.9294	0.8363	0.2314	0.082*
H8B	0.8799	0.7994	0.1066	0.082*
H8C	0.9988	0.7285	0.1789	0.082*
C9	0.6111 (15)	0.6020 (15)	0.1233 (12)	0.067 (4)
H9A	0.5694	0.5328	0.1523	0.100*
H9B	0.6155	0.5818	0.0490	0.100*
H9C	0.5639	0.6806	0.1236	0.100*
C10	0.8716 (15)	0.5208 (15)	0.3710 (11)	0.070 (4)
H10A	0.8054	0.5079	0.4096	0.104*
H10B	0.9401	0.5687	0.4169	0.104*
H10C	0.9026	0.4384	0.3532	0.104*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sn1	0.0286 (6)	0.0407 (6)	0.0522 (6)	0.0003 (3)	0.0145 (4)	0.0010 (3)
P1	0.051 (2)	0.0397 (18)	0.060 (2)	0.0044 (15)	0.0310 (17)	0.0035 (15)
O1	0.080 (7)	0.042 (5)	0.096 (7)	0.015 (5)	0.058 (6)	0.009 (5)
O2	0.078 (7)	0.043 (5)	0.094 (7)	0.001 (5)	0.057 (6)	0.012 (5)
C1	0.043 (7)	0.040 (7)	0.056 (7)	0.000 (6)	0.029 (6)	0.008 (6)
C2	0.049 (9)	0.059 (9)	0.088 (11)	0.001 (7)	0.024 (8)	−0.010 (8)
C3	0.038 (9)	0.113 (15)	0.103 (13)	−0.003 (9)	0.016 (9)	0.001 (11)
C4	0.054 (11)	0.109 (16)	0.080 (11)	0.028 (10)	0.020 (9)	0.007 (9)
C5	0.088 (14)	0.062 (10)	0.095 (12)	0.025 (10)	0.040 (10)	−0.003 (9)
C6	0.058 (10)	0.057 (9)	0.076 (10)	0.015 (7)	0.030 (8)	0.002 (7)
C7	0.066 (11)	0.113 (13)	0.060 (9)	−0.001 (10)	0.017 (8)	−0.021 (9)
C8	0.037 (8)	0.044 (7)	0.095 (10)	0.002 (6)	0.040 (7)	−0.006 (7)
C9	0.050 (9)	0.090 (12)	0.064 (9)	0.004 (8)	0.019 (7)	0.006 (8)
C10	0.068 (11)	0.073 (10)	0.064 (9)	0.010 (8)	0.008 (8)	0.008 (7)

Geometric parameters (Å, º)

Sn1—C8	2.101 (13)	C4—H4	0.9300
Sn1—C9	2.122 (15)	C5—C6	1.36 (2)
Sn1—C10	2.129 (13)	C5—H5	0.9300
Sn1—O1	2.231 (9)	C6—H6	0.9300
Sn1—O2^i	2.255 (8)	C7—H7A	0.9600
P1—O1	1.486 (9)	C7—H7B	0.9600
P1—O2	1.502 (9)	C7—H7C	0.9600
P1—C7	1.812 (15)	C8—H8A	0.9600
P1—C1	1.822 (13)	C8—H8B	0.9600
O2—Sn1^ii	2.255 (8)	C8—H8C	0.9600
C1—C6	1.380 (16)	C9—H9A	0.9600
C1—C2	1.415 (18)	C9—H9B	0.9600
C2—C3	1.39 (2)	C9—H9C	0.9600
C2—H2	0.9300	C10—H10A	0.9600
C3—C4	1.40 (2)	C10—H10B	0.9600
C3—H3	0.9300	C10—H10C	0.9600
C4—C5	1.35 (2)
C8—Sn1—C9	119.3 (6)	C4—C5—C6	121.4 (17)
C8—Sn1—C10	116.7 (6)	C4—C5—H5	119.3
C9—Sn1—C10	123.9 (6)	C6—C5—H5	119.3
C8—Sn1—O1	89.3 (4)	C5—C6—C1	120.7 (16)
C9—Sn1—O1	92.1 (5)	C5—C6—H6	119.7
C10—Sn1—O1	90.9 (5)	C1—C6—H6	119.7
C8—Sn1—O2^i	89.4 (4)	P1—C7—H7A	109.5
C9—Sn1—O2^i	88.7 (5)	P1—C7—H7B	109.5
C10—Sn1—O2^i	89.5 (5)	H7A—C7—H7B	109.5
O1—Sn1—O2^i	178.6 (3)	P1—C7—H7C	109.5
O1—P1—O2	115.0 (5)	H7A—C7—H7C	109.5
O1—P1—C7	109.5 (8)	H7B—C7—H7C	109.5
O2—P1—C7	109.2 (7)	Sn1—C8—H8A	109.5
O1—P1—C1	107.7 (6)	Sn1—C8—H8B	109.5
O2—P1—C1	109.7 (5)	H8A—C8—H8B	109.5
C7—P1—C1	105.3 (7)	Sn1—C8—H8C	109.5
P1—O1—Sn1	132.5 (6)	H8A—C8—H8C	109.5
P1—O2—Sn1^ii	161.4 (6)	H8B—C8—H8C	109.5
C6—C1—C2	119.1 (13)	Sn1—C9—H9A	109.5
C6—C1—P1	121.3 (11)	Sn1—C9—H9B	109.5
C2—C1—P1	119.6 (10)	H9A—C9—H9B	109.5
C3—C2—C1	118.9 (15)	Sn1—C9—H9C	109.5
C3—C2—H2	120.6	H9A—C9—H9C	109.5
C1—C2—H2	120.6	H9B—C9—H9C	109.5
C2—C3—C4	120.0 (16)	Sn1—C10—H10A	109.5
C2—C3—H3	120.0	Sn1—C10—H10B	109.5
C4—C3—H3	120.0	H10A—C10—H10B	109.5
C5—C4—C3	119.9 (17)	Sn1—C10—H10C	109.5
C5—C4—H4	120.1	H10A—C10—H10C	109.5
C3—C4—H4	120.1	H10B—C10—H10C	109.5

Symmetry codes: (i) −x+3/2, y+1/2, −z+1/2; (ii) −x+3/2, y−1/2, −z+1/2.