catena-Poly[[strontium(II)-di-μ-aqua-di-μ-9-hydroxyfluorene-9-carboxyl­ato] monohydrate]

The Sr^II atom in the title compound, {[Sr(C₁₄H₉O₃)(H₂O)₂]·H₂O}n, is chelated by the carboxyl and hydroxyl O atoms of two anions, and is coordinated by two water molecules that function in a bridging mode. The eight-coordinate configuration arises from additional interaction with the carboxyl O atoms which are already involved in chelation in adjacent molecules. The geometry is intermediate between dodecahedral and square antiprismatic in the linear chain structure.

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](C-C) = 0.006 Å
• Disorder in solvent or counterion
• R factor = 0.047
• wR factor = 0.115
• Data-to-parameter ratio = 19.2

checkCIF/PLATON results

No syntax errors found



Datablock: I


Alert level B
PLAT415_ALERT_2_B Short Inter D-H..H-X       H3W2   ..  H27     ..       2.04 Ang.
PLAT420_ALERT_2_B D-H Without Acceptor       O2W    -   H2W1   ...          ?

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.97
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.04
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms .....         24
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O3
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O4
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C5
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C25
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Sr1
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      33.00 Perc.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          9
PLAT733_ALERT_1_C Torsion Calc    -17.8(3), Rep  -17.76(10) ......       3.00 su-Rat
              O4  -SR1 -O4  -SR1    2.646   1.555   1.555   2.656

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           27.50
           From the CIF: _reflns_number_total               5722
           Count of symmetry unique reflns         3228
           Completeness (_total/calc)            177.26%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      2494
           Fraction of Friedel pairs measured     0.773
           Are heavy atom types Z>Si present        yes

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
  13 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   8 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

catena-Poly[[strontium(II)-di-µ-aqua-di-µ-9-hydroxy-fluorene-9-carboxylato] monohydrate]

Crystal data

[Sr(C14H9O3)(H2O)2]·H2O	F(000) = 604
Mr = 592.09	Dx = 1.510 Mg m^−3
Monoclinic, P21	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2yb	Cell parameters from 11087 reflections
a = 12.727 (3) Å	θ = 3.3–27.4°
b = 7.231 (1) Å	µ = 2.12 mm^−1
c = 14.947 (3) Å	T = 295 K
β = 108.79 (3)°	Block, colourless
V = 1302.2 (4) Å^3	0.37 × 0.25 × 0.18 mm
Z = 2

Data collection

Rigaku R-AXIS RAPID diffractometer	5722 independent reflections
Radiation source: fine-focus sealed tube	4864 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.037
ω scans	θmax = 27.5°, θmin = 3.2°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −16→16
Tmin = 0.544, Tmax = 0.701	k = −9→9
11926 measured reflections	l = −17→19

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.047	H-atom parameters constrained
wR(F^2) = 0.115	w = 1/[σ^2(Fo^2) + (0.0611P)^2 + 0.6925P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.001
5722 reflections	Δρmax = 0.98 e Å^−3
298 parameters	Δρmin = −0.48 e Å^−3
7 restraints	Absolute structure: Flack (1983), with 3266 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.007 (9)

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Sr1	0.46685 (3)	0.50001 (8)	0.44892 (2)	0.04150 (11)
O1	0.3767 (2)	0.1808 (4)	0.4319 (3)	0.0616 (9)
O2	0.2353 (2)	−0.0081 (7)	0.4112 (3)	0.0710 (9)
O3	0.2589 (2)	0.4648 (4)	0.3610 (3)	0.0617 (9)
H3O	0.2228	0.5622	0.3383	0.074*
O4	0.5035 (4)	0.8220 (4)	0.3958 (2)	0.0674 (11)
O5	0.5959 (3)	1.0101 (7)	0.3329 (2)	0.0761 (10)
O6	0.5286 (3)	0.5380 (4)	0.3002 (2)	0.0538 (8)
H6O	0.5369	0.4404	0.2715	0.065*
O1W	0.6197 (2)	0.2535 (5)	0.4743 (2)	0.0459 (7)
H1W1	0.6822	0.2907	0.5112	0.055*
H1W2	0.6273	0.2174	0.4223	0.055*
O2W	0.1342 (4)	0.7484 (7)	0.2716 (4)	0.1072 (19)
H2W1	0.0898	0.7734	0.2166	0.129*
H2W2	0.1557	0.8484	0.3019	0.129*
O3W	0.4993 (13)	0.2483 (17)	0.1854 (9)	0.100 (4)	0.50
H3W1	0.5282	0.1544	0.2204	0.120*	0.50
H3W2	0.5393	0.2557	0.1472	0.120*	0.50
O3W'	0.5886 (12)	0.2549 (16)	0.2086 (8)	0.100 (4)	0.50
H3W3	0.5924	0.1573	0.2429	0.120*	0.50
H3W4	0.5361	0.2283	0.1558	0.120*	0.50
C1	0.2780 (4)	0.1425 (7)	0.4017 (4)	0.0536 (11)
C2	0.1985 (3)	0.2943 (6)	0.3469 (3)	0.0468 (10)
C3	0.0974 (2)	0.3034 (5)	0.3762 (2)	0.0539 (11)
C4	0.0869 (4)	0.3537 (6)	0.4627 (2)	0.0765 (16)
H4	0.1484	0.3966	0.5109	0.092*
C5	−0.0154 (4)	0.3399 (7)	0.4770 (3)	0.111 (3)
H5	−0.0225	0.3735	0.5348	0.133*
C6	−0.1073 (3)	0.2757 (8)	0.4048 (4)	0.111 (3)
H6	−0.1757	0.2665	0.4144	0.133*
C7	−0.0968 (2)	0.2255 (7)	0.3184 (3)	0.092 (2)
H7	−0.1582	0.1826	0.2701	0.110*
C8	0.0056 (3)	0.2393 (5)	0.3040 (2)	0.0589 (12)
C9	0.1517 (3)	0.2433 (6)	0.2449 (2)	0.0534 (12)
C10	0.2037 (3)	0.2288 (7)	0.1764 (3)	0.0777 (16)
H10	0.2793	0.2518	0.1921	0.093*
C11	0.1425 (5)	0.1800 (8)	0.0844 (3)	0.106 (3)
H11	0.1772	0.1703	0.0385	0.127*
C12	0.0293 (5)	0.1456 (8)	0.0609 (2)	0.116 (3)
H12	−0.0116	0.1129	−0.0007	0.139*
C13	−0.0226 (3)	0.1601 (7)	0.1294 (3)	0.095 (2)
H13	−0.0983	0.1371	0.1137	0.114*
C14	0.0386 (3)	0.2090 (6)	0.2214 (2)	0.0606 (13)
C15	0.5490 (4)	0.8601 (6)	0.3373 (3)	0.0522 (11)
C16	0.5495 (4)	0.7116 (6)	0.2633 (3)	0.0472 (10)
C17	0.6555 (3)	0.7196 (5)	0.2401 (2)	0.0546 (12)
C18	0.7618 (3)	0.6702 (6)	0.2965 (2)	0.0722 (15)
H18	0.7731	0.6228	0.3568	0.087*
C19	0.8510 (2)	0.6915 (7)	0.2630 (4)	0.100 (2)
H19	0.9220	0.6585	0.3007	0.120*
C20	0.8340 (3)	0.7623 (7)	0.1729 (4)	0.101 (2)
H20	0.8937	0.7766	0.1505	0.122*
C21	0.7278 (4)	0.8117 (6)	0.1165 (3)	0.088 (2)
H21	0.7164	0.8590	0.0562	0.106*
C22	0.6385 (3)	0.7903 (5)	0.1500 (2)	0.0582 (12)
C23	0.4689 (3)	0.7587 (5)	0.17087 (19)	0.0561 (13)
C24	0.3537 (3)	0.7565 (7)	0.1437 (3)	0.0817 (18)
H24	0.3184	0.7187	0.1862	0.098*
C25	0.2912 (3)	0.8108 (8)	0.0529 (3)	0.115 (3)
H25	0.2141	0.8094	0.0347	0.138*
C26	0.3440 (4)	0.8673 (8)	−0.0107 (2)	0.105 (3)
H26	0.3022	0.9037	−0.0714	0.126*
C27	0.4592 (4)	0.8695 (6)	0.0165 (2)	0.088 (2)
H27	0.4945	0.9073	−0.0260	0.106*
C28	0.5217 (3)	0.8152 (5)	0.1073 (2)	0.0641 (14)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sr1	0.03871 (16)	0.03066 (15)	0.0568 (2)	0.0009 (2)	0.01768 (12)	0.0004 (2)
O1	0.0344 (16)	0.0360 (17)	0.098 (3)	0.0052 (12)	−0.0016 (15)	−0.0044 (16)
O2	0.0472 (15)	0.0419 (17)	0.113 (2)	0.005 (2)	0.0107 (15)	0.017 (3)
O3	0.0424 (15)	0.031 (2)	0.098 (2)	−0.0002 (12)	0.0038 (14)	0.0003 (14)
O4	0.124 (3)	0.0382 (18)	0.057 (2)	0.0181 (19)	0.054 (2)	0.0069 (14)
O5	0.118 (3)	0.043 (2)	0.079 (2)	−0.012 (3)	0.0484 (19)	−0.015 (2)
O6	0.087 (2)	0.029 (2)	0.0547 (17)	0.0026 (13)	0.0355 (15)	0.0014 (11)
O1W	0.0412 (15)	0.0527 (18)	0.0471 (16)	0.0038 (13)	0.0187 (12)	0.0040 (13)
O2W	0.080 (3)	0.054 (3)	0.155 (5)	0.008 (2)	−0.008 (3)	−0.003 (3)
O3W	0.189 (11)	0.049 (3)	0.079 (5)	0.022 (8)	0.066 (8)	0.002 (3)
O3W'	0.189 (11)	0.049 (3)	0.079 (5)	0.022 (8)	0.066 (8)	0.002 (3)
C1	0.040 (2)	0.039 (2)	0.073 (3)	0.0054 (19)	0.006 (2)	−0.005 (2)
C2	0.034 (2)	0.033 (2)	0.067 (3)	0.0034 (16)	0.0059 (18)	0.0006 (18)
C3	0.048 (2)	0.041 (2)	0.073 (3)	0.0114 (19)	0.020 (2)	0.010 (2)
C4	0.094 (4)	0.064 (4)	0.075 (4)	0.021 (3)	0.031 (3)	0.004 (3)
C5	0.155 (8)	0.088 (6)	0.127 (7)	0.051 (5)	0.095 (6)	0.034 (5)
C6	0.084 (5)	0.110 (7)	0.165 (8)	0.031 (5)	0.077 (6)	0.043 (6)
C7	0.050 (3)	0.081 (5)	0.139 (6)	0.009 (3)	0.024 (4)	0.031 (4)
C8	0.034 (2)	0.051 (3)	0.085 (4)	0.003 (2)	0.010 (2)	0.014 (2)
C9	0.051 (3)	0.044 (3)	0.067 (3)	0.003 (2)	0.020 (2)	0.002 (2)
C10	0.080 (4)	0.071 (4)	0.089 (4)	0.006 (3)	0.036 (3)	0.000 (3)
C11	0.163 (8)	0.094 (6)	0.071 (5)	0.011 (6)	0.050 (5)	0.001 (4)
C12	0.163 (9)	0.102 (7)	0.066 (5)	−0.013 (6)	0.014 (5)	0.000 (4)
C13	0.085 (4)	0.091 (5)	0.078 (4)	−0.021 (4)	−0.016 (3)	0.015 (3)
C14	0.052 (3)	0.050 (3)	0.069 (3)	−0.003 (2)	0.004 (2)	0.006 (2)
C15	0.080 (3)	0.041 (2)	0.038 (2)	0.014 (2)	0.023 (2)	0.0035 (17)
C16	0.069 (3)	0.035 (2)	0.042 (2)	0.005 (2)	0.024 (2)	0.0036 (16)
C17	0.075 (3)	0.041 (3)	0.051 (3)	0.000 (2)	0.025 (2)	−0.0041 (19)
C18	0.072 (4)	0.057 (3)	0.086 (4)	−0.001 (3)	0.023 (3)	−0.008 (3)
C19	0.073 (4)	0.088 (5)	0.144 (7)	−0.002 (4)	0.044 (5)	−0.014 (5)
C20	0.083 (5)	0.101 (6)	0.134 (7)	−0.018 (4)	0.054 (5)	−0.018 (5)
C21	0.134 (6)	0.069 (4)	0.088 (4)	−0.019 (4)	0.073 (5)	−0.009 (3)
C22	0.084 (4)	0.040 (3)	0.058 (3)	−0.009 (2)	0.033 (3)	−0.0058 (19)
C23	0.077 (4)	0.039 (2)	0.050 (3)	0.010 (2)	0.019 (3)	−0.006 (2)
C24	0.081 (4)	0.087 (5)	0.073 (4)	0.013 (4)	0.020 (3)	−0.010 (3)
C25	0.101 (5)	0.128 (8)	0.090 (5)	0.042 (5)	−0.006 (4)	−0.021 (5)
C26	0.145 (7)	0.096 (6)	0.052 (4)	0.036 (5)	0.000 (4)	−0.008 (3)
C27	0.154 (7)	0.061 (4)	0.043 (3)	0.016 (4)	0.023 (4)	−0.002 (2)
C28	0.119 (5)	0.033 (2)	0.044 (3)	0.002 (3)	0.032 (3)	−0.0046 (18)

Geometric parameters (Å, º)

Sr1—O1	2.553 (3)	C7—C8	1.3900
Sr1—O1^i	2.562 (3)	C7—H7	0.9300
Sr1—O3	2.561 (3)	C9—C10	1.3900
Sr1—O4	2.551 (3)	C9—C14	1.3900
Sr1—O4^ii	2.573 (3)	C10—C11	1.3900
Sr1—O6	2.600 (3)	C10—H10	0.9300
Sr1—O1W	2.575 (3)	C11—C12	1.3900
Sr1—O1W^i	2.589 (3)	C11—H11	0.9300
O1—C1	1.222 (5)	C12—C13	1.3900
O2—C1	1.246 (7)	C12—H12	0.9300
O3—C2	1.432 (5)	C13—C14	1.3900
O3—H3O	0.8500	C13—H13	0.9300
O4—C15	1.226 (6)	C15—C16	1.543 (6)
O5—C15	1.250 (7)	C16—C23	1.471 (5)
O6—C16	1.430 (5)	C16—C17	1.499 (5)
O6—H6O	0.8500	C17—C18	1.3900
O1W—H1W1	0.85	C17—C22	1.3900
O1W—H1W2	0.85	C18—C19	1.3900
O2W—H2W1	0.85	C18—H18	0.9300
O2W—H2W2	0.85	C19—C20	1.3900
O3W—H3W1	0.86	C19—H19	0.9300
O3W—H3W2	0.88	C20—C21	1.3900
O3W'—H3W3	0.87	C20—H20	0.9300
O3W'—H3W4	0.88	C21—C22	1.3900
C1—C2	1.538 (6)	C21—H21	0.9300
C2—C3	1.487 (5)	C23—C24	1.3900
C2—C9	1.493 (6)	C23—C28	1.3900
C3—C4	1.3900	C24—C25	1.3900
C3—C8	1.3900	C24—H24	0.9300
C4—C5	1.3900	C25—C26	1.3900
C4—H4	0.9300	C25—H25	0.9300
C5—C6	1.3900	C26—C27	1.3900
C5—H5	0.9300	C26—H26	0.9300
C6—C7	1.3900	C27—C28	1.3900
C6—H6	0.9300	C27—H27	0.9300
O1—Sr1—O1^i	139.0 (1)	C6—C5—H5	120.0
O1—Sr1—O3	60.1 (1)	C7—C6—C5	120.0
O1—Sr1—O4	156.2 (1)	C7—C6—H6	120.0
O1—Sr1—O4^ii	64.4 (1)	C5—C6—H6	120.0
O1—Sr1—O6	105.1 (1)	C6—C7—C8	120.0
O1—Sr1—O1W	71.5 (1)	C6—C7—H7	120.0
O1—Sr1—O1W^i	116.3 (1)	C8—C7—H7	120.0
O1^i—Sr1—O3	148.3 (1)	C7—C8—C3	120.0
O1^i—Sr1—O4	64.6 (1)	C10—C9—C14	120.0
O1^i—Sr1—O4^ii	76.9 (1)	C10—C9—C2	130.0 (3)
O1^i—Sr1—O6	99.2 (1)	C14—C9—C2	110.0 (3)
O1^i—Sr1—O1W	82.5 (1)	C9—C10—C11	120.0
O1^i—Sr1—O1W^i	71.1 (1)	C9—C10—H10	120.0
O3—Sr1—O4	101.2 (1)	C11—C10—H10	120.0
O3—Sr1—O4^ii	103.9 (1)	C10—C11—C12	120.0
O3—Sr1—O6	96.8 (1)	C10—C11—H11	120.0
O3—Sr1—O1W	127.9 (1)	C12—C11—H11	120.0
O3—Sr1—O1W^i	77.4 (1)	C13—C12—C11	120.0
O4—Sr1—O4^ii	138.5 (1)	C13—C12—H12	120.0
O4—Sr1—O6	60.1 (1)	C11—C12—H12	120.0
O4—Sr1—O1W	118.2 (1)	C12—C13—C14	120.0
O4—Sr1—O1W^i	68.8 (1)	C12—C13—H13	120.0
O4^ii—Sr1—O6	145.8 (1)	C14—C13—H13	120.0
O4^ii—Sr1—O1W	68.7 (1)	C13—C14—C9	120.0
O4^ii—Sr1—O1W^i	85.1 (1)	O4—C15—O5	125.1 (4)
O6—Sr1—O1W	77.1 (1)	O4—C15—C16	117.9 (4)
O6—Sr1—O1W^i	126.4 (1)	O5—C15—C16	117.0 (4)
O1W—Sr1—O1W^i	146.5 (1)	O6—C16—C23	113.9 (4)
C1—O1—Sr1	128.1 (3)	O6—C16—C17	114.6 (4)
C1—O1—Sr1^ii	128.1 (3)	C23—C16—C17	100.4 (3)
Sr1—O1—Sr1^ii	99.68 (10)	O6—C16—C15	106.8 (3)
C2—O3—Sr1	125.3 (2)	C23—C16—C15	110.4 (4)
C2—O3—H3O	117.3	C17—C16—C15	110.6 (4)
Sr1—O3—H3O	117.3	C18—C17—C22	120.0
C15—O4—Sr1	127.1 (3)	C18—C17—C16	128.4 (3)
C15—O4—Sr1^i	124.4 (3)	C22—C17—C16	111.6 (3)
Sr1—O4—Sr1^i	99.46 (10)	C19—C18—C17	120.0
C16—O6—Sr1	124.6 (2)	C19—C18—H18	120.0
C16—O6—H6O	117.7	C17—C18—H18	120.0
Sr1—O6—H6O	117.7	C20—C19—C18	120.0
Sr1—O1W—Sr1^ii	98.42 (9)	C20—C19—H19	120.0
Sr1—O1W—H1W1	112.3	C18—C19—H19	120.0
Sr1^ii—O1W—H1W1	112.2	C19—C20—C21	120.0
Sr1—O1W—H1W2	112.3	C19—C20—H20	120.0
Sr1^ii—O1W—H1W2	112.1	C21—C20—H20	120.0
H1W1—O1W—H1W2	109.2	C20—C21—C22	120.0
H2W1—O2W—H2W2	109.4	C20—C21—H21	120.0
H3W1—O3W—H3W2	102.5	C22—C21—H21	120.0
H3W3—O3W'—H3W4	103.6	C21—C22—C17	120.0
O1—C1—O2	126.2 (4)	C24—C23—C28	120.0
O1—C1—C2	117.2 (4)	C24—C23—C16	128.5 (3)
O2—C1—C2	116.7 (4)	C28—C23—C16	111.5 (3)
O3—C2—C3	113.1 (4)	C23—C24—C25	120.0
O3—C2—C9	112.4 (4)	C23—C24—H24	120.0
C3—C2—C9	102.4 (3)	C25—C24—H24	120.0
O3—C2—C1	107.8 (3)	C24—C25—C26	120.0
C3—C2—C1	110.9 (4)	C24—C25—H25	120.0
C9—C2—C1	110.2 (4)	C26—C25—H25	120.0
C4—C3—C8	120.0	C27—C26—C25	120.0
C4—C3—C2	129.6 (3)	C27—C26—H26	120.0
C8—C3—C2	110.3 (3)	C25—C26—H26	120.0
C3—C4—C5	120.0	C26—C27—C28	120.0
C3—C4—H4	120.0	C26—C27—H27	120.0
C5—C4—H4	120.0	C28—C27—H27	120.0
C4—C5—C6	120.0	C27—C28—C23	120.0
C4—C5—H5	120.0
O4—Sr1—O1—C1	−50.0 (6)	Sr1—O3—C2—C3	128.4 (3)
O3—Sr1—O1—C1	−8.7 (4)	Sr1—O3—C2—C9	−116.3 (3)
O1^i—Sr1—O1—C1	137.9 (5)	Sr1—O3—C2—C1	5.3 (5)
O4^ii—Sr1—O1—C1	116.8 (5)	O1—C1—C2—O3	−12.0 (6)
O1W—Sr1—O1—C1	−168.5 (5)	O2—C1—C2—O3	167.9 (5)
O1W^i—Sr1—O1—C1	46.9 (5)	O1—C1—C2—C3	−136.4 (5)
O6—Sr1—O1—C1	−98.0 (5)	O1—C1—C2—C9	111.0 (5)
O4—Sr1—O1—Sr1^ii	151.6 (2)	O2—C1—C2—C9	−69.2 (6)
O3—Sr1—O1—Sr1^ii	−167.16 (19)	O3—C2—C3—C4	−55.3 (5)
O1^i—Sr1—O1—Sr1^ii	−20.54 (11)	C9—C2—C3—C4	−176.4 (3)
O4^ii—Sr1—O1—Sr1^ii	−41.57 (13)	C1—C2—C3—C4	66.0 (5)
O1W—Sr1—O1—Sr1^ii	33.07 (10)	O3—C2—C3—C8	129.0 (3)
O1W^i—Sr1—O1—Sr1^ii	−111.55 (11)	C9—C2—C3—C8	7.8 (4)
O6—Sr1—O1—Sr1^ii	103.59 (13)	C1—C2—C3—C8	−109.7 (3)
O4—Sr1—O3—C2	164.5 (4)	C2—C3—C4—C5	−175.4 (4)
O1—Sr1—O3—C2	0.2 (3)	C2—C3—C8—C7	176.2 (3)
O1^i—Sr1—O3—C2	−136.3 (3)	O3—C2—C9—C10	52.4 (5)
O4^ii—Sr1—O3—C2	−48.8 (4)	C3—C2—C9—C10	174.1 (3)
O1W—Sr1—O3—C2	24.8 (4)	C1—C2—C9—C10	−67.9 (5)
O1W^i—Sr1—O3—C2	−130.4 (4)	O3—C2—C9—C14	−127.1 (3)
O6—Sr1—O3—C2	103.7 (4)	C3—C2—C9—C14	−5.4 (4)
O1—Sr1—O4—C15	−68.2 (6)	C1—C2—C9—C14	112.6 (4)
O3—Sr1—O4—C15	−103.8 (4)	C2—C9—C10—C11	−179.5 (5)
O1^i—Sr1—O4—C15	106.1 (5)	C10—C9—C14—C13	0.0
O4^ii—Sr1—O4—C15	129.9 (5)	C2—C9—C14—C13	179.6 (4)
O1W—Sr1—O4—C15	40.8 (5)	Sr1—O4—C15—O5	−156.8 (4)
O1W^i—Sr1—O4—C15	−175.4 (5)	Sr1^i—O4—C15—O5	−16.6 (7)
O6—Sr1—O4—C15	−12.3 (4)	Sr1—O4—C15—C16	22.8 (6)
O1—Sr1—O4—Sr1^i	144.2 (2)	Sr1^i—O4—C15—C16	162.9 (3)
O3—Sr1—O4—Sr1^i	108.56 (14)	Sr1—O6—C16—C23	−112.3 (3)
O1^i—Sr1—O4—Sr1^i	−41.50 (13)	Sr1—O6—C16—C17	132.8 (3)
O4^ii—Sr1—O4—Sr1^i	−17.76 (10)	Sr1—O6—C16—C15	9.9 (5)
O1W—Sr1—O4—Sr1^i	−106.81 (12)	O4—C15—C16—O6	−19.5 (6)
O1W^i—Sr1—O4—Sr1^i	36.97 (11)	O5—C15—C16—O6	160.0 (4)
O6—Sr1—O4—Sr1^i	−159.94 (19)	O4—C15—C16—C23	104.9 (5)
O4—Sr1—O6—C16	−1.1 (3)	O4—C15—C16—C17	−144.9 (4)
O1—Sr1—O6—C16	158.7 (3)	O5—C15—C16—C17	34.7 (6)
O3—Sr1—O6—C16	97.9 (3)	O6—C16—C17—C18	−50.5 (5)
O1^i—Sr1—O6—C16	−54.7 (3)	C23—C16—C17—C18	−173.0 (3)
O4^ii—Sr1—O6—C16	−134.8 (3)	C15—C16—C17—C18	70.3 (4)
O1W—Sr1—O6—C16	−134.8 (3)	O6—C16—C17—C22	130.9 (3)
O1W^i—Sr1—O6—C16	18.6 (4)	C23—C16—C17—C22	8.3 (4)
O4—Sr1—O1W—Sr1^ii	171.14 (10)	C16—C17—C18—C19	−178.5 (4)
O1—Sr1—O1W—Sr1^ii	−32.55 (11)	C16—C17—C22—C21	178.8 (3)
O3—Sr1—O1W—Sr1^ii	−54.86 (16)	O6—C16—C23—C24	50.0 (5)
O1^i—Sr1—O1W—Sr1^ii	115.24 (12)	C17—C16—C23—C24	173.0 (3)
O4^ii—Sr1—O1W—Sr1^ii	36.48 (10)	C15—C16—C23—C24	−70.3 (5)
O1W^i—Sr1—O1W—Sr1^ii	77.3 (2)	O6—C16—C23—C28	−131.6 (3)
O6—Sr1—O1W—Sr1^ii	−143.52 (12)	C17—C16—C23—C28	−8.5 (4)
Sr1—O1—C1—O2	−164.9 (4)	C15—C16—C23—C28	108.2 (4)
Sr1^ii—O1—C1—O2	−12.3 (8)	C16—C23—C24—C25	178.3 (4)
Sr1—O1—C1—C2	15.0 (7)	C24—C23—C28—C27	0.0
Sr1^ii—O1—C1—C2	167.5 (3)	C16—C23—C28—C27	−178.6 (3)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H3O···O2W	0.85	1.83	2.672 (6)	170
O6—H6O···O3W	0.85	1.85	2.66 (1)	158
O1W—H1W1···O2^i	0.85	1.94	2.697 (5)	147
O1W—H1W2···O5^iii	0.85	1.96	2.691 (5)	143
O2W—H2W2···O2^iv	0.85	1.93	2.716 (7)	154
O3W—H3W1···O5^iii	0.86	1.93	2.76 (1)	159
O3W′—H3W3···O5^iii	0.87	1.70	2.55 (1)	164

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