The crystal structures of tetra­kis­(μ-n-butyrato-κ²O:O′)bis[bromidorhenium(III)] and tetra­kis­(μ-n-butyrato-κ²O:O′)bis[chlorido­rhenium(III)] aceto­nitrile disolvate

The structures of [Re₂Br₂(O₂CC₃H₇)₄] and [Re₂(O₂CC₃H₇)₄Cl₂]·2CH₃CN are reported here. Both complexes, crystallized from aceto­nitrile and diethyl ether, exhibit paddlewheel conformations with quadruple bonds between the Re atoms.

Key indicators

Structure: 1

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.021
• wR factor = 0.047
• Data-to-parameter ratio = 50.1

Structure: 2

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.021
• wR factor = 0.040
• Data-to-parameter ratio = 49.2

checkCIF/PLATON results

No syntax errors found



Datablock: 1


Alert level C
PLAT220_ALERT_2_C Large Non-Solvent  C     Ueq(max)/Ueq(min) Range        3.1 Ratio
PLAT971_ALERT_2_C Check Calcd Residual Density  0.59A From     Re1       1.94 eA-3
PLAT971_ALERT_2_C Check Calcd Residual Density  0.58A From     Re1       1.82 eA-3
PLAT971_ALERT_2_C Check Calcd Residual Density  0.70A From     Re1       1.66 eA-3
PLAT971_ALERT_2_C Check Calcd Residual Density  0.71A From     Re1       1.55 eA-3
PLAT975_ALERT_2_C Check Calcd Residual Density  0.92A From      O2       0.64 eA-3
PLAT976_ALERT_2_C Check Calcd Residual Density  0.58A From      O2      -0.74 eA-3
PLAT976_ALERT_2_C Check Calcd Residual Density  0.79A From      O2      -0.66 eA-3

Alert level G
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Re1    --  Br1     ..       22.4 su
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) .       1.13 Ratio
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600        172 Note

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

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




Datablock: 2


Alert level C
PLAT220_ALERT_2_C Large Non-Solvent  C     Ueq(max)/Ueq(min) Range        3.6 Ratio
PLAT972_ALERT_2_C Check Calcd Residual Density  1.18A From      O2      -1.70 eA-3

Alert level G
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Re1    --  Cl1     ..       11.5 su
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) .       1.11 Ratio
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Th(Min) ...          1 Report
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600        232 Note

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 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
   3 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

---

Computing details

For both compounds, data collection: APEX2 (Bruker, 2014); cell refinement: SAINT (Bruker, 2014); data reduction: SAINT (Bruker, 2014); program(s) used to solve structure: SIR2011 (Burla et al., 2012); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

(1) Tetrakis(µ-n-butyrato-κ²O:O')bis[bromidorhenium(III)]

Crystal data

[Re2Br2(C4H7O2)4]	F(000) = 816
Mr = 880.60	Dx = 2.480 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 6.6833 (5) Å	Cell parameters from 3849 reflections
b = 12.2817 (10) Å	θ = 3.3–38.2°
c = 14.6134 (12) Å	µ = 13.68 mm^−1
β = 100.5380 (16)°	T = 100 K
V = 1179.27 (16) Å^3	Needle, orange
Z = 2	0.36 × 0.16 × 0.12 mm

Data collection

Bruker SMART APEXII CCD platform diffractometer	5503 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.039
ω scans	θmax = 38.5°, θmin = 2.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 2014)	h = −11→11
Tmin = 0.161, Tmax = 0.440	k = −21→21
43018 measured reflections	l = −25→25
6464 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.021	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.047	H-atom parameters constrained
S = 1.04	w = 1/[σ^2(Fo^2) + (0.0202P)^2 + 0.9723P] where P = (Fo^2 + 2Fc^2)/3
6464 reflections	(Δ/σ)max = 0.001
129 parameters	Δρmax = 2.11 e Å^−3
0 restraints	Δρmin = −1.56 e Å^−3

Special details

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.

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

	x	y	z	Uiso*/Ueq
Re1	0.41766 (2)	0.44073 (2)	0.53764 (2)	0.00983 (2)
Br1	0.19163 (3)	0.30257 (2)	0.61673 (2)	0.01786 (4)
O1	0.5665 (2)	0.31578 (12)	0.48971 (10)	0.0133 (2)
O2	0.7293 (2)	0.43464 (12)	0.41390 (10)	0.0128 (2)
O3	0.1966 (2)	0.43002 (12)	0.42259 (10)	0.0130 (2)
O4	0.3633 (2)	0.54841 (12)	0.34843 (10)	0.0131 (2)
C1	0.6954 (3)	0.33636 (16)	0.43620 (13)	0.0122 (3)
C2	0.8048 (3)	0.24669 (16)	0.39774 (14)	0.0146 (3)
H2A	0.9528	0.2611	0.4142	0.018*
H2B	0.7672	0.2486	0.3290	0.018*
C3	0.7644 (4)	0.13262 (17)	0.43061 (16)	0.0182 (4)
H3A	0.6184	0.1147	0.4112	0.022*
H3B	0.7982	0.1293	0.4994	0.022*
C4	0.8936 (4)	0.05015 (19)	0.38890 (18)	0.0239 (5)
H4A	0.8633	−0.0234	0.4084	0.036*
H4B	1.0381	0.0661	0.4107	0.036*
H4C	0.8622	0.0549	0.3208	0.036*
C5	0.2113 (3)	0.48493 (16)	0.34960 (13)	0.0124 (3)
C6	0.0567 (3)	0.47160 (19)	0.26301 (14)	0.0165 (4)
H6A	0.0077	0.5441	0.2391	0.020*
H6B	−0.0611	0.4302	0.2771	0.020*
C7	0.1485 (4)	0.4111 (2)	0.18869 (17)	0.0251 (5)
H7A	0.0414	0.3999	0.1330	0.030*
H7B	0.2565	0.4566	0.1701	0.030*
C8	0.2376 (4)	0.3019 (3)	0.2226 (2)	0.0373 (7)
H8A	0.2849	0.2640	0.1715	0.056*
H8B	0.1331	0.2579	0.2443	0.056*
H8C	0.3524	0.3130	0.2740	0.056*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Re1	0.01032 (3)	0.01015 (3)	0.00965 (3)	−0.00067 (2)	0.00351 (2)	−0.00002 (2)
Br1	0.01861 (9)	0.01864 (9)	0.01763 (9)	−0.00465 (7)	0.00674 (7)	0.00246 (7)
O1	0.0140 (6)	0.0128 (6)	0.0137 (6)	0.0002 (5)	0.0045 (5)	−0.0012 (5)
O2	0.0124 (6)	0.0132 (6)	0.0139 (6)	0.0008 (5)	0.0050 (5)	−0.0011 (5)
O3	0.0125 (6)	0.0153 (6)	0.0115 (6)	−0.0009 (5)	0.0029 (4)	−0.0002 (5)
O4	0.0140 (6)	0.0141 (6)	0.0115 (6)	−0.0006 (5)	0.0028 (5)	0.0014 (5)
C1	0.0113 (7)	0.0139 (8)	0.0112 (7)	0.0004 (6)	0.0018 (6)	−0.0007 (6)
C2	0.0143 (8)	0.0129 (8)	0.0174 (8)	0.0029 (6)	0.0049 (7)	−0.0030 (6)
C3	0.0219 (10)	0.0139 (8)	0.0198 (9)	0.0030 (7)	0.0060 (7)	−0.0017 (7)
C4	0.0274 (12)	0.0185 (10)	0.0258 (11)	0.0081 (8)	0.0048 (9)	−0.0023 (8)
C5	0.0122 (8)	0.0126 (8)	0.0125 (7)	0.0002 (6)	0.0030 (6)	−0.0020 (6)
C6	0.0162 (9)	0.0210 (9)	0.0114 (8)	−0.0008 (7)	0.0002 (6)	−0.0004 (7)
C7	0.0222 (11)	0.0361 (13)	0.0183 (9)	−0.0110 (10)	0.0068 (8)	−0.0097 (9)
C8	0.0262 (13)	0.0418 (17)	0.0430 (16)	0.0033 (12)	0.0035 (11)	−0.0264 (13)

Geometric parameters (Å, º)

Re1—O4^i	2.0102 (15)	C3—C4	1.528 (3)
Re1—O2^i	2.0159 (14)	C3—H3A	0.9900
Re1—O1	2.0225 (15)	C3—H3B	0.9900
Re1—O3	2.0295 (14)	C4—H4A	0.9800
Re1—Re1^i	2.2325 (2)	C4—H4B	0.9800
Re1—Br1	2.6712 (3)	C4—H4C	0.9800
O1—C1	1.290 (2)	C5—C6	1.489 (3)
O2—C1	1.281 (2)	C6—C7	1.533 (3)
O2—Re1^i	2.0159 (14)	C6—H6A	0.9900
O3—C5	1.281 (2)	C6—H6B	0.9900
O4—C5	1.283 (2)	C7—C8	1.514 (4)
O4—Re1^i	2.0102 (14)	C7—H7A	0.9900
C1—C2	1.488 (3)	C7—H7B	0.9900
C2—C3	1.521 (3)	C8—H8A	0.9800
C2—H2A	0.9900	C8—H8B	0.9800
C2—H2B	0.9900	C8—H8C	0.9800
O4^i—Re1—O2^i	89.22 (6)	C2—C3—H3B	109.7
O4^i—Re1—O1	90.42 (6)	C4—C3—H3B	109.7
O2^i—Re1—O1	179.64 (6)	H3A—C3—H3B	108.2
O4^i—Re1—O3	179.91 (6)	C3—C4—H4A	109.5
O2^i—Re1—O3	90.72 (6)	C3—C4—H4B	109.5
O1—Re1—O3	89.64 (6)	H4A—C4—H4B	109.5
O4^i—Re1—Re1^i	90.86 (4)	C3—C4—H4C	109.5
O2^i—Re1—Re1^i	89.64 (4)	H4A—C4—H4C	109.5
O1—Re1—Re1^i	90.35 (4)	H4B—C4—H4C	109.5
O3—Re1—Re1^i	89.08 (4)	O3—C5—O4	120.85 (18)
O4^i—Re1—Br1	93.87 (4)	O3—C5—C6	120.16 (18)
O2^i—Re1—Br1	88.85 (4)	O4—C5—C6	118.92 (18)
O1—Re1—Br1	91.19 (4)	C5—C6—C7	110.48 (19)
O3—Re1—Br1	86.19 (4)	C5—C6—H6A	109.6
Re1^i—Re1—Br1	175.018 (7)	C7—C6—H6A	109.6
C1—O1—Re1	119.12 (13)	C5—C6—H6B	109.6
C1—O2—Re1^i	120.39 (13)	C7—C6—H6B	109.6
C5—O3—Re1	120.03 (13)	H6A—C6—H6B	108.1
C5—O4—Re1^i	119.18 (13)	C8—C7—C6	112.4 (2)
O2—C1—O1	120.51 (18)	C8—C7—H7A	109.1
O2—C1—C2	118.63 (18)	C6—C7—H7A	109.1
O1—C1—C2	120.85 (18)	C8—C7—H7B	109.1
C1—C2—C3	115.75 (18)	C6—C7—H7B	109.1
C1—C2—H2A	108.3	H7A—C7—H7B	107.8
C3—C2—H2A	108.3	C7—C8—H8A	109.5
C1—C2—H2B	108.3	C7—C8—H8B	109.5
C3—C2—H2B	108.3	H8A—C8—H8B	109.5
H2A—C2—H2B	107.4	C7—C8—H8C	109.5
C2—C3—C4	109.79 (19)	H8A—C8—H8C	109.5
C2—C3—H3A	109.7	H8B—C8—H8C	109.5
C4—C3—H3A	109.7
Re1^i—O2—C1—O1	0.2 (2)	Re1—O3—C5—O4	−1.1 (3)
Re1^i—O2—C1—C2	179.10 (13)	Re1—O3—C5—C6	175.86 (14)
Re1—O1—C1—O2	0.2 (2)	Re1^i—O4—C5—O3	1.0 (3)
Re1—O1—C1—C2	−178.66 (14)	Re1^i—O4—C5—C6	−175.98 (14)
O2—C1—C2—C3	177.34 (18)	O3—C5—C6—C7	−108.8 (2)
O1—C1—C2—C3	−3.7 (3)	O4—C5—C6—C7	68.2 (3)
C1—C2—C3—C4	−177.54 (19)	C5—C6—C7—C8	56.0 (3)

Symmetry code: (i) −x+1, −y+1, −z+1.

(2) Tetrakis(µ-n-butyrato-κ²O:O')bis[chloridorhenium(III)]

Crystal data

[Re2(C4H7O2)4Cl2]·2C2H3N	F(000) = 832
Mr = 873.79	Dx = 2.051 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 8.5589 (13) Å	Cell parameters from 3912 reflections
b = 17.097 (3) Å	θ = 2.4–38.3°
c = 10.0494 (15) Å	µ = 8.78 mm^−1
β = 105.830 (3)°	T = 100 K
V = 1414.8 (4) Å^3	Plate, orange
Z = 2	0.36 × 0.34 × 0.12 mm

Data collection

Bruker SMART APEXII CCD platform diffractometer	6874 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.038
ω scans	θmax = 38.5°, θmin = 2.4°
Absorption correction: multi-scan (SADABS; Sheldrick, 2014)	h = −14→14
Tmin = 0.187, Tmax = 0.440	k = −29→29
51215 measured reflections	l = −17→17
7730 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.021	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.040	H-atom parameters constrained
S = 1.15	w = 1/[σ^2(Fo^2) + (0.0071P)^2 + 1.4405P] where P = (Fo^2 + 2Fc^2)/3
7730 reflections	(Δ/σ)max = 0.002
157 parameters	Δρmax = 1.42 e Å^−3
0 restraints	Δρmin = −1.61 e Å^−3

Special details

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.

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

	x	y	z	Uiso*/Ueq
Re1	0.03406 (2)	0.02939 (2)	0.41289 (2)	0.00845 (2)
Cl1	0.11816 (5)	0.09708 (2)	0.22230 (4)	0.01465 (7)
O1	0.11825 (15)	0.12189 (7)	0.53706 (12)	0.0114 (2)
O2	0.05072 (15)	0.06310 (7)	0.71113 (12)	0.0116 (2)
O3	0.18769 (15)	−0.08019 (7)	0.64715 (13)	0.0119 (2)
O4	0.25576 (15)	−0.02169 (7)	0.47284 (13)	0.0125 (2)
C1	0.1121 (2)	0.12144 (9)	0.66290 (17)	0.0110 (3)
C2	0.1786 (2)	0.18996 (10)	0.75268 (19)	0.0155 (3)
H2A	0.1391	0.2384	0.7004	0.019*
H2B	0.2984	0.1894	0.7726	0.019*
C3	0.1342 (3)	0.19286 (11)	0.88930 (19)	0.0190 (3)
H3A	0.1606	0.1419	0.9367	0.023*
H3B	0.2011	0.2333	0.9491	0.023*
C4	−0.0440 (3)	0.21089 (13)	0.8716 (3)	0.0272 (4)
H4A	−0.0650	0.2134	0.9626	0.041*
H4B	−0.1109	0.1697	0.8162	0.041*
H4C	−0.0711	0.2613	0.8244	0.041*
C5	0.2915 (2)	−0.06622 (10)	0.57910 (18)	0.0128 (3)
C6	0.4563 (2)	−0.10219 (12)	0.6230 (2)	0.0185 (3)
H6A	0.4641	−0.1352	0.7055	0.022*
H6B	0.5385	−0.0602	0.6497	0.022*
C7	0.4947 (2)	−0.15213 (12)	0.5097 (2)	0.0226 (4)
H7A	0.4768	−0.1204	0.4245	0.027*
H7B	0.6109	−0.1670	0.5391	0.027*
C8	0.3925 (3)	−0.22572 (15)	0.4773 (3)	0.0392 (6)
H8A	0.4236	−0.2555	0.4053	0.059*
H8B	0.2775	−0.2114	0.4447	0.059*
H8C	0.4104	−0.2577	0.5610	0.059*
N1	0.4670 (3)	0.05726 (13)	0.8138 (2)	0.0299 (4)
C9	0.5906 (3)	0.05264 (13)	0.8933 (2)	0.0221 (4)
C10	0.7485 (3)	0.04674 (14)	0.9950 (2)	0.0255 (4)
H10A	0.7727	0.0959	1.0466	0.038*
H10B	0.8324	0.0365	0.9475	0.038*
H10C	0.7465	0.0038	1.0591	0.038*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Re1	0.00949 (2)	0.00778 (2)	0.00844 (2)	−0.00046 (2)	0.00305 (2)	0.00032 (2)
Cl1	0.01616 (16)	0.01644 (16)	0.01207 (15)	−0.00189 (13)	0.00506 (13)	0.00287 (13)
O1	0.0142 (5)	0.0097 (5)	0.0105 (5)	−0.0014 (4)	0.0037 (4)	−0.0004 (4)
O2	0.0149 (5)	0.0103 (5)	0.0097 (5)	−0.0016 (4)	0.0035 (4)	−0.0003 (4)
O3	0.0118 (5)	0.0115 (5)	0.0122 (5)	0.0009 (4)	0.0032 (4)	0.0012 (4)
O4	0.0112 (5)	0.0129 (5)	0.0140 (5)	0.0013 (4)	0.0048 (4)	0.0016 (4)
C1	0.0118 (6)	0.0094 (6)	0.0117 (6)	−0.0007 (5)	0.0031 (5)	−0.0006 (5)
C2	0.0198 (8)	0.0115 (6)	0.0151 (7)	−0.0042 (6)	0.0049 (6)	−0.0036 (6)
C3	0.0290 (9)	0.0148 (7)	0.0136 (7)	−0.0054 (7)	0.0067 (7)	−0.0046 (6)
C4	0.0316 (11)	0.0234 (9)	0.0325 (11)	−0.0057 (8)	0.0185 (9)	−0.0097 (8)
C5	0.0118 (6)	0.0123 (6)	0.0136 (7)	0.0008 (5)	0.0022 (5)	0.0002 (5)
C6	0.0114 (7)	0.0213 (8)	0.0217 (8)	0.0047 (6)	0.0027 (6)	0.0018 (7)
C7	0.0172 (8)	0.0225 (9)	0.0296 (10)	0.0056 (7)	0.0092 (7)	0.0004 (8)
C8	0.0315 (12)	0.0256 (11)	0.0572 (18)	0.0014 (9)	0.0066 (12)	−0.0116 (11)
N1	0.0290 (10)	0.0304 (10)	0.0270 (9)	0.0018 (8)	0.0018 (8)	0.0006 (8)
C9	0.0257 (9)	0.0199 (8)	0.0200 (8)	−0.0010 (7)	0.0050 (7)	0.0002 (7)
C10	0.0235 (9)	0.0288 (10)	0.0210 (9)	−0.0006 (8)	0.0005 (8)	0.0001 (8)

Geometric parameters (Å, º)

Re1—O1	2.0216 (12)	C4—H4A	0.9800
Re1—O2^i	2.0217 (12)	C4—H4B	0.9800
Re1—O3^i	2.0238 (12)	C4—H4C	0.9800
Re1—O4	2.0255 (12)	C5—C6	1.490 (2)
Re1—Re1^i	2.2299 (3)	C6—C7	1.529 (3)
Re1—Cl1	2.5056 (5)	C6—H6A	0.9900
O1—C1	1.280 (2)	C6—H6B	0.9900
O2—C1	1.282 (2)	C7—C8	1.516 (3)
O2—Re1^i	2.0217 (12)	C7—H7A	0.9900
O3—C5	1.283 (2)	C7—H7B	0.9900
O3—Re1^i	2.0238 (12)	C8—H8A	0.9800
O4—C5	1.279 (2)	C8—H8B	0.9800
C1—C2	1.493 (2)	C8—H8C	0.9800
C2—C3	1.522 (3)	N1—C9	1.141 (3)
C2—H2A	0.9900	C9—C10	1.459 (3)
C2—H2B	0.9900	C10—H10A	0.9800
C3—C4	1.518 (3)	C10—H10B	0.9800
C3—H3A	0.9900	C10—H10C	0.9800
C3—H3B	0.9900
O1—Re1—O2^i	179.84 (5)	C3—C4—H4A	109.5
O1—Re1—O3^i	89.75 (5)	C3—C4—H4B	109.5
O2^i—Re1—O3^i	90.13 (5)	H4A—C4—H4B	109.5
O1—Re1—O4	90.37 (5)	C3—C4—H4C	109.5
O2^i—Re1—O4	89.75 (5)	H4A—C4—H4C	109.5
O3^i—Re1—O4	179.87 (5)	H4B—C4—H4C	109.5
O1—Re1—Re1^i	89.63 (4)	O4—C5—O3	120.86 (15)
O2^i—Re1—Re1^i	90.27 (4)	O4—C5—C6	118.98 (16)
O3^i—Re1—Re1^i	90.15 (4)	O3—C5—C6	120.16 (16)
O4—Re1—Re1^i	89.80 (4)	C5—C6—C7	112.87 (16)
O1—Re1—Cl1	88.98 (4)	C5—C6—H6A	109.0
O2^i—Re1—Cl1	91.13 (4)	C7—C6—H6A	109.0
O3^i—Re1—Cl1	90.89 (4)	C5—C6—H6B	109.0
O4—Re1—Cl1	89.16 (4)	C7—C6—H6B	109.0
Re1^i—Re1—Cl1	178.254 (11)	H6A—C6—H6B	107.8
C1—O1—Re1	120.09 (10)	C8—C7—C6	113.24 (19)
C1—O2—Re1^i	119.38 (11)	C8—C7—H7A	108.9
C5—O3—Re1^i	119.40 (11)	C6—C7—H7A	108.9
C5—O4—Re1	119.78 (11)	C8—C7—H7B	108.9
O1—C1—O2	120.63 (15)	C6—C7—H7B	108.9
O1—C1—C2	118.72 (15)	H7A—C7—H7B	107.7
O2—C1—C2	120.64 (15)	C7—C8—H8A	109.5
C1—C2—C3	115.01 (15)	C7—C8—H8B	109.5
C1—C2—H2A	108.5	H8A—C8—H8B	109.5
C3—C2—H2A	108.5	C7—C8—H8C	109.5
C1—C2—H2B	108.5	H8A—C8—H8C	109.5
C3—C2—H2B	108.5	H8B—C8—H8C	109.5
H2A—C2—H2B	107.5	N1—C9—C10	180.0 (3)
C4—C3—C2	113.00 (17)	C9—C10—H10A	109.5
C4—C3—H3A	109.0	C9—C10—H10B	109.5
C2—C3—H3A	109.0	H10A—C10—H10B	109.5
C4—C3—H3B	109.0	C9—C10—H10C	109.5
C2—C3—H3B	109.0	H10A—C10—H10C	109.5
H3A—C3—H3B	107.8	H10B—C10—H10C	109.5
Re1—O1—C1—O2	−1.0 (2)	Re1—O4—C5—O3	1.2 (2)
Re1—O1—C1—C2	178.70 (12)	Re1—O4—C5—C6	−178.97 (12)
Re1^i—O2—C1—O1	0.8 (2)	Re1^i—O3—C5—O4	−1.1 (2)
Re1^i—O2—C1—C2	−178.84 (12)	Re1^i—O3—C5—C6	179.11 (12)
O1—C1—C2—C3	167.38 (16)	O4—C5—C6—C7	−58.1 (2)
O2—C1—C2—C3	−12.9 (2)	O3—C5—C6—C7	121.71 (19)
C1—C2—C3—C4	−70.2 (2)	C5—C6—C7—C8	−67.9 (2)

Symmetry code: (i) −x, −y, −z+1.