Bis[μ-bis­(4-nitro­phen­yl)phosphato-κ2O:O′]bis­{[bis­(2-pyridylmeth­yl)amine-κ3N,N′,N′′′]copper(II)} diperchlorate acetonitrile hemisolvate

Butcher, R.J.; Gultneh, Y.; Allwar

doi:10.1107/S160053680500992X

Bis[μ-bis(4-nitrophenyl)phosphato-κ²O:O′]bis{[bis(2-pyridylmethyl)amine-κ³N,N′,N′′′]copper(II)} diperchlorate acetonitrile hemisolvate

The title compound, [Cu₂(bnpp)₂(bpa)₂](ClO₄)₂·0.5CH₃CN [bpa is bis(2-pyridylmethyl)amine (C₁₂H₁₃N₃) and bnpp is bis(4-nitrophenyl)phosphate (C₁₂H₈N₂O₈P)], contains two Cu^II ions, each coordinated in a distorted square-pyramidal geometry formed by the tridentate chelating ligand bpa and two O-atom donors from two bnpp ligands. Two bnpp anions bridge two Cu^II ions to form the dinuclear complex cation, one O-atom donor of each bnpp coordinating in a basal site and another coordinating in the apical position with a Jahn–Teller elongated bond of 2.189 (4) or 2.244 (3) Å.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680500992X/xu6000sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S160053680500992X/xu6000Isup2.hkl Contains datablock I

CCDC reference: 196061

checkCIF report

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.008 Å
Disorder in main residue
R factor = 0.065
wR factor = 0.168
Data-to-parameter ratio = 12.3

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.65 Ratio
PLAT432_ALERT_2_B Short Inter X...Y Contact  C3B    ..  O22B    ..       2.78 Ang.
PLAT432_ALERT_2_B Short Inter X...Y Contact  C8B    ..  O23B    ..       2.90 Ang.

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.676     0.907
            Tmin' and Tmax expected:      0.710     0.850
            RR' =      0.892
            Please check that your absorption correction is appropriate.
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         49 Perc.
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.25 Ratio
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.88
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.94
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT200_ALERT_1_C Check the Reported cell_ambient_temperature ....        293
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.13 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.18 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C2B
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C6B
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C7B
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       N2BB
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        N1D
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        N1F
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C1D
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C4D
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       N2BA
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        C1S
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl2
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl1
PLAT301_ALERT_3_C Main Residue  Disorder .........................       1.00 Perc.
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      28.00 Perc.
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          1
            O12 -P1  -O11 -CU1    90.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          2
            O14 -P1  -O11 -CU1  -146.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          3
            O13 -P1  -O11 -CU1   -35.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          4
            N3A -CU1 -O11 -P1   -168.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          5
            N1A -CU1 -O11 -P1     26.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          6
            N2A -CU1 -O11 -P1    114.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          7
            O21 -CU1 -O11 -P1    -72.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         27
            O21 -P2  -O22 -CU2   -22.10  1.70   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         28
            O24 -P2  -O22 -CU2   101.00  1.60   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         29
            O23 -P2  -O22 -CU2  -148.50  1.60   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         30
            N2BB-CU2 -O22 -P2   -134.60  1.60   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         31
            N1B -CU2 -O22 -P2    -50.50  1.70   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         32
            N3B -CU2 -O22 -P2    140.70  1.60   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         33
            N2BA-CU2 -O22 -P2    108.00 15.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         34
            O12 -CU2 -O22 -P2     46.50  1.60   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         81
            O22 -CU2 -N2BA-C7B    48.00 16.00   1.555   1.555   1.555   1.555
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         38

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.937
            Tmax scaled      0.850 Tmin scaled      0.633

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

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

Computing details top

Data collection: XSCANS (Sheldrick, 1997); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Bis[µ-bis(4-nitrophenyl) phosphato-κ²O:O']bis{[bis(2-pyridylmethyl)amine- κ³N,N',N''']copper(II)} diperchlorate acetonitrile hemisolvate top

Crystal data top

[Cu₂(C₁₂H₈N₂O₈P)₂(C₁₂H₁₃N₃)₂](ClO₄)₂·0.5C₂H₃N	F(000) = 5784
M_r = 1421.35	D_x = 1.603 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 45 reflections
a = 26.167 (6) Å	θ = 8.3–12.6°
b = 14.150 (4) Å	µ = 0.96 mm⁻¹
c = 32.116 (7) Å	T = 296 K
β = 97.91 (2)°	Chunk, blue
V = 11778 (5) Å³	0.35 × 0.27 × 0.17 mm
Z = 8

Data collection top

Bruker P4 diffractometer	5104 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.043
Graphite monochromator	θ_max = 25.0°, θ_min = 2.6°
ω scans	h = 0→31
Absorption correction: part of the refinement model (ΔF) SHELXTL (Sheldrick, 1997)	k = 0→16
T_min = 0.633, T_max = 0.850	l = −38→37
10557 measured reflections	3 standard reflections every 97 reflections
10331 independent reflections	intensity decay: 0.2%

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.065	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.168	H-atom parameters constrained
S = 1.01	w = 1/[σ²(F_o²) + (0.0626P)² + 22.0028P] where P = (F_o² + 2F_c²)/3
10331 reflections	(Δ/σ)_max = 0.013
839 parameters	Δρ_max = 0.72 e Å⁻³
55 restraints	Δρ_min = −0.47 e Å⁻³

Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Cu1	0.28976 (2)	0.22938 (4)	0.372719 (17)	0.04405 (17)
Cu2	0.42150 (3)	0.49705 (4)	0.359435 (18)	0.04701 (17)
Cl1	0.65078 (7)	0.10570 (13)	0.66586 (5)	0.0862 (6)
Cl2	0.59085 (5)	0.61231 (10)	0.40003 (4)	0.0701 (5)
P1	0.29353 (6)	0.47091 (9)	0.36890 (4)	0.0458 (4)
P2	0.41944 (5)	0.26273 (9)	0.38106 (4)	0.0429 (3)
O11	0.28987 (14)	0.3670 (2)	0.36772 (10)	0.0580 (11)
O12	0.33599 (13)	0.5206 (2)	0.35339 (10)	0.0511 (10)
O13	0.29144 (14)	0.4950 (2)	0.41787 (9)	0.0539 (10)
O14	0.24237 (13)	0.5161 (2)	0.34445 (11)	0.0544 (10)
O21	0.37130 (13)	0.2123 (2)	0.36572 (10)	0.0527 (10)
O22	0.42410 (14)	0.3652 (2)	0.37477 (10)	0.0554 (10)
O23	0.43585 (13)	0.2509 (2)	0.43098 (9)	0.0486 (10)
O24	0.46332 (13)	0.2075 (2)	0.36113 (10)	0.0535 (10)
O11A	0.6694 (3)	0.2009 (5)	0.6609 (2)	0.170 (3)
O12A	0.6850 (3)	0.0532 (5)	0.69360 (18)	0.193 (3)
O13A	0.6084 (3)	0.1218 (5)	0.6823 (2)	0.223 (3)
O14A	0.6467 (3)	0.0687 (5)	0.62665 (17)	0.174 (3)
O21A	0.62486 (11)	0.54799 (19)	0.42312 (9)	0.1120 (18)
O22A	0.55104 (12)	0.5605 (3)	0.37620 (12)	0.131 (2)	0.850 (5)
O23A	0.57019 (14)	0.6742 (3)	0.42680 (11)	0.118 (2)	0.850 (5)
O24A	0.61809 (15)	0.6621 (3)	0.37244 (12)	0.177 (3)	0.850 (5)
O22B	0.5733 (2)	0.5757 (4)	0.36041 (10)	0.083 (7)	0.150 (5)
O23B	0.54928 (13)	0.6299 (5)	0.42215 (16)	0.114 (8)	0.150 (5)
O24B	0.6178 (2)	0.6972 (3)	0.3960 (2)	0.071 (6)	0.150 (5)
O1C	0.32121 (16)	0.8232 (3)	0.54777 (12)	0.0763 (13)
O2C	0.31801 (16)	0.9045 (3)	0.49053 (12)	0.0760 (13)
O1D	0.0421 (2)	0.2854 (4)	0.2935 (2)	0.150 (3)
O2D	0.0262 (2)	0.3421 (5)	0.3529 (2)	0.152 (3)
O1E	0.43314 (16)	−0.1444 (3)	0.51808 (12)	0.0750 (13)
O2E	0.4423 (2)	−0.0519 (3)	0.57120 (12)	0.1064 (18)
O1F	0.69773 (17)	0.2274 (4)	0.34763 (15)	0.118 (2)
O2F	0.69246 (17)	0.3531 (4)	0.38456 (17)	0.1080 (18)
N1A	0.29845 (15)	0.2228 (3)	0.43497 (11)	0.0434 (11)
N2A	0.27222 (18)	0.0928 (3)	0.37773 (13)	0.0607 (14)
H2AB	0.3007	0.0602	0.3727	0.073*
N3A	0.26316 (16)	0.2064 (3)	0.31325 (12)	0.0498 (12)
N1B	0.42377 (18)	0.4776 (3)	0.29863 (12)	0.0604 (14)
N2BB	0.4458 (3)	0.6246 (5)	0.3461 (2)	0.046 (2)	0.585 (7)
H2BB	0.4807	0.6187	0.3487	0.055*	0.585 (7)
N2BA	0.4180 (4)	0.6390 (8)	0.3442 (3)	0.046 (2)	0.415 (7)
H2BC	0.3836	0.6521	0.3410	0.055*	0.415 (7)
N3B	0.43342 (15)	0.5462 (3)	0.41785 (12)	0.0447 (11)
N1C	0.31748 (17)	0.8301 (3)	0.50979 (14)	0.0561 (13)
N1D	0.0533 (2)	0.3332 (5)	0.3249 (2)	0.108 (2)
N1E	0.43731 (18)	−0.0662 (3)	0.53379 (14)	0.0639 (14)
N1F	0.67339 (18)	0.2832 (4)	0.36589 (16)	0.0761 (17)
C1A	0.3185 (2)	0.2920 (4)	0.46093 (14)	0.0530 (16)
H1AA	0.3266	0.3495	0.4495	0.064*
C2A	0.3272 (2)	0.2804 (4)	0.50380 (16)	0.0617 (17)
H2AA	0.3406	0.3296	0.5212	0.074*
C3A	0.3158 (2)	0.1950 (4)	0.52034 (17)	0.0647 (18)
H3AA	0.3217	0.1855	0.5493	0.078*
C4A	0.2955 (2)	0.1232 (4)	0.49415 (16)	0.0601 (17)
H4AA	0.2878	0.0648	0.5050	0.072*
C5A	0.28700 (19)	0.1399 (3)	0.45153 (15)	0.0463 (14)
C6A	0.2641 (2)	0.0678 (4)	0.42033 (16)	0.0641 (18)
H6AA	0.2796	0.0067	0.4276	0.077*
H6AB	0.2274	0.0627	0.4216	0.077*
C7A	0.2317 (2)	0.0675 (4)	0.34370 (17)	0.0675 (18)
H7AA	0.1982	0.0801	0.3521	0.081*
H7AB	0.2337	0.0007	0.3375	0.081*
C8A	0.2380 (2)	0.1243 (4)	0.30521 (17)	0.0557 (16)
C9A	0.2196 (3)	0.0958 (5)	0.2649 (2)	0.087 (2)
H9AA	0.2024	0.0385	0.2599	0.105*
C10A	0.2277 (3)	0.1554 (5)	0.2319 (2)	0.095 (2)
H10A	0.2156	0.1383	0.2044	0.114*
C11A	0.2534 (3)	0.2392 (5)	0.24005 (17)	0.089 (2)
H11A	0.2589	0.2796	0.2183	0.107*
C12A	0.2705 (2)	0.2620 (4)	0.28079 (17)	0.0708 (19)
H12A	0.2882	0.3186	0.2863	0.085*
C1B	0.4190 (3)	0.3971 (5)	0.27777 (18)	0.109 (3)
H1BA	0.4155	0.3416	0.2926	0.130*
C2B	0.4190 (4)	0.3919 (5)	0.2353 (2)	0.143 (4)
H2BA	0.4166	0.3339	0.2216	0.172*
C3B	0.4225 (4)	0.4741 (5)	0.2132 (2)	0.121 (3)
H3BA	0.4218	0.4727	0.1842	0.145*
C4B	0.4269 (3)	0.5564 (5)	0.23408 (17)	0.084 (2)
H4BA	0.4297	0.6127	0.2196	0.101*
C5B	0.4274 (2)	0.5576 (4)	0.27701 (16)	0.0579 (16)
C6B	0.4311 (3)	0.6467 (4)	0.30272 (17)	0.073 (2)
H6B	0.4424	0.7029	0.2891	0.088*
C7B	0.4373 (3)	0.6905 (4)	0.37843 (17)	0.075 (2)
H7B	0.4514	0.7530	0.3800	0.089*
C8B	0.43815 (19)	0.6400 (4)	0.41914 (16)	0.0502 (15)
C9B	0.4429 (2)	0.6869 (4)	0.45755 (17)	0.0637 (18)
H9BA	0.4465	0.7523	0.4586	0.076*
C11B	0.4380 (2)	0.5402 (4)	0.49208 (16)	0.0699 (19)
H11B	0.4382	0.5050	0.5166	0.084*
C12B	0.4335 (2)	0.4963 (4)	0.45313 (15)	0.0613 (17)
H12B	0.4305	0.4308	0.4516	0.074*
C10B	0.4422 (2)	0.6370 (5)	0.49350 (19)	0.072 (2)
H10B	0.4446	0.6683	0.5192	0.087*
C1C	0.29842 (19)	0.5802 (3)	0.43817 (14)	0.0429 (14)
C2C	0.29844 (19)	0.6664 (3)	0.41761 (15)	0.0471 (14)
H2CA	0.2942	0.6689	0.3884	0.057*
C3C	0.30483 (19)	0.7486 (4)	0.44110 (15)	0.0495 (15)
H3CA	0.3048	0.8072	0.4279	0.059*
C4C	0.31124 (18)	0.7421 (3)	0.48444 (14)	0.0424 (13)
C5C	0.31247 (19)	0.6572 (4)	0.50509 (15)	0.0499 (14)
H5CA	0.3174	0.6547	0.5343	0.060*
C6C	0.3062 (2)	0.5756 (4)	0.48152 (14)	0.0494 (15)
H6CA	0.3072	0.5172	0.4949	0.059*
C1D	0.1946 (2)	0.4703 (3)	0.34072 (16)	0.0478 (15)
C2D	0.1773 (2)	0.4308 (5)	0.30275 (19)	0.079 (2)
H2DA	0.1971	0.4341	0.2808	0.095*
C3D	0.1305 (3)	0.3861 (5)	0.29717 (19)	0.085 (2)
H3DA	0.1179	0.3591	0.2714	0.103*
C4D	0.1030 (2)	0.3819 (4)	0.3295 (2)	0.0676 (19)
C5D	0.1198 (2)	0.4236 (4)	0.36765 (19)	0.0732 (19)
H5DA	0.0997	0.4207	0.3894	0.088*
C6D	0.1667 (2)	0.4698 (4)	0.37340 (17)	0.0651 (18)
H6DA	0.1787	0.4994	0.3987	0.078*
C1E	0.43453 (18)	0.1689 (3)	0.45436 (13)	0.0391 (13)
C2E	0.44459 (19)	0.1813 (3)	0.49705 (14)	0.0451 (14)
H2EA	0.4510	0.2415	0.5082	0.054*
C3E	0.4452 (2)	0.1047 (4)	0.52324 (15)	0.0504 (15)
H3EA	0.4520	0.1122	0.5522	0.061*
C4E	0.43560 (19)	0.0171 (3)	0.50590 (15)	0.0449 (14)
C5E	0.42481 (19)	0.0038 (4)	0.46301 (15)	0.0498 (14)
H5EA	0.4178	−0.0564	0.4521	0.060*
C6E	0.42453 (19)	0.0800 (3)	0.43661 (15)	0.0476 (14)
H6EA	0.4178	0.0725	0.4076	0.057*
C1F	0.5155 (2)	0.2297 (4)	0.36378 (14)	0.0468 (14)
C2F	0.5372 (2)	0.3079 (4)	0.38534 (16)	0.0581 (16)
H2FA	0.5169	0.3480	0.3992	0.070*
C3F	0.5890 (2)	0.3257 (4)	0.38598 (17)	0.0606 (17)
H3FA	0.6042	0.3781	0.4001	0.073*
C4F	0.6178 (2)	0.2654 (4)	0.36563 (16)	0.0568 (16)
C5F	0.5966 (2)	0.1888 (4)	0.34391 (16)	0.0638 (17)
H5FA	0.6170	0.1494	0.3299	0.077*
C6F	0.5447 (2)	0.1702 (4)	0.34301 (16)	0.0631 (18)
H6FA	0.5297	0.1181	0.3285	0.076*
N1S	0.3878 (5)	0.1431 (10)	0.2711 (4)	0.124 (5)*	0.50
C1S	0.4197 (10)	0.0954 (19)	0.2673 (8)	0.195 (10)*	0.50
C2S	0.4643 (6)	0.0193 (12)	0.2683 (5)	0.129 (6)*	0.50
H2SA	0.4521	−0.0339	0.2513	0.193*	0.50
H2SB	0.4745	−0.0012	0.2968	0.193*	0.50
H2SC	0.4934	0.0470	0.2577	0.193*	0.50

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cu1	0.0557 (4)	0.0395 (3)	0.0362 (3)	−0.0053 (3)	0.0037 (3)	−0.0028 (3)
Cu2	0.0658 (4)	0.0407 (3)	0.0356 (3)	−0.0108 (3)	0.0113 (3)	0.0023 (3)
Cl1	0.0973 (12)	0.0944 (12)	0.0683 (10)	0.0286 (11)	0.0167 (9)	0.0059 (9)
Cl2	0.0797 (10)	0.0785 (10)	0.0507 (8)	0.0101 (9)	0.0041 (8)	−0.0152 (7)
P1	0.0585 (9)	0.0353 (7)	0.0416 (7)	0.0034 (7)	−0.0004 (6)	0.0009 (6)
P2	0.0510 (8)	0.0418 (7)	0.0367 (6)	0.0034 (7)	0.0093 (6)	0.0038 (6)
O11	0.084 (3)	0.0317 (19)	0.054 (2)	0.0019 (19)	−0.0068 (19)	0.0030 (16)
O12	0.051 (2)	0.052 (2)	0.0500 (19)	0.0005 (18)	0.0052 (16)	0.0033 (17)
O13	0.087 (3)	0.0329 (18)	0.0430 (18)	−0.0011 (19)	0.0119 (17)	−0.0026 (16)
O14	0.051 (2)	0.043 (2)	0.066 (2)	−0.0007 (18)	−0.0007 (18)	0.0153 (18)
O21	0.056 (2)	0.053 (2)	0.0485 (19)	−0.0015 (19)	0.0059 (17)	−0.0022 (17)
O22	0.073 (2)	0.039 (2)	0.055 (2)	0.0024 (19)	0.0121 (18)	0.0072 (17)
O23	0.069 (2)	0.0387 (19)	0.0378 (17)	−0.0020 (18)	0.0061 (16)	0.0016 (15)
O24	0.053 (2)	0.054 (2)	0.056 (2)	0.0002 (18)	0.0145 (17)	−0.0031 (18)
O11A	0.180 (6)	0.135 (5)	0.179 (6)	−0.044 (5)	−0.026 (5)	−0.010 (5)
O12A	0.223 (6)	0.240 (7)	0.117 (4)	0.144 (5)	0.027 (4)	0.062 (5)
O13A	0.211 (6)	0.246 (7)	0.241 (6)	0.129 (6)	0.139 (5)	0.135 (5)
O14A	0.248 (8)	0.159 (6)	0.096 (4)	0.021 (5)	−0.035 (5)	−0.046 (4)
O21A	0.112 (4)	0.100 (4)	0.112 (4)	0.028 (3)	−0.026 (3)	0.001 (3)
O22A	0.102 (4)	0.149 (4)	0.132 (4)	0.019 (4)	−0.016 (3)	−0.075 (4)
O23A	0.109 (4)	0.143 (4)	0.101 (3)	0.031 (3)	0.006 (3)	−0.080 (3)
O24A	0.201 (6)	0.167 (5)	0.186 (5)	0.021 (5)	0.101 (4)	0.048 (5)
O22B	0.085 (9)	0.100 (10)	0.064 (9)	−0.002 (7)	0.009 (7)	−0.011 (7)
O23B	0.109 (10)	0.119 (10)	0.114 (10)	−0.001 (7)	0.021 (7)	−0.010 (7)
O24B	0.084 (9)	0.066 (9)	0.060 (9)	−0.011 (7)	0.003 (7)	0.011 (7)
O1C	0.101 (3)	0.072 (3)	0.056 (2)	−0.010 (2)	0.012 (2)	−0.016 (2)
O2C	0.098 (3)	0.044 (2)	0.087 (3)	0.001 (2)	0.014 (2)	−0.006 (2)
O1D	0.099 (4)	0.137 (5)	0.202 (6)	−0.044 (4)	−0.029 (4)	−0.006 (5)
O2D	0.081 (4)	0.159 (5)	0.222 (6)	−0.029 (4)	0.042 (4)	0.027 (5)
O1E	0.099 (3)	0.047 (2)	0.085 (3)	0.010 (2)	0.031 (2)	0.009 (2)
O2E	0.199 (5)	0.076 (3)	0.048 (2)	0.012 (3)	0.031 (3)	0.017 (2)
O1F	0.071 (3)	0.177 (5)	0.113 (4)	0.021 (3)	0.042 (3)	−0.006 (4)
O2F	0.071 (3)	0.107 (4)	0.148 (4)	−0.012 (3)	0.023 (3)	0.020 (3)
N1A	0.051 (2)	0.041 (2)	0.039 (2)	0.001 (2)	0.0084 (19)	−0.0023 (19)
N2A	0.074 (3)	0.054 (3)	0.053 (3)	−0.015 (3)	0.007 (2)	0.002 (2)
N3A	0.062 (3)	0.050 (3)	0.037 (2)	0.003 (2)	0.004 (2)	−0.007 (2)
N1B	0.100 (3)	0.050 (3)	0.035 (2)	−0.010 (3)	0.021 (2)	0.005 (2)
N2BB	0.040 (5)	0.049 (3)	0.051 (3)	−0.006 (4)	0.013 (4)	0.002 (3)
N2BA	0.040 (5)	0.049 (3)	0.051 (3)	−0.006 (4)	0.013 (4)	0.002 (3)
N3B	0.047 (2)	0.046 (2)	0.042 (2)	−0.005 (2)	0.0061 (19)	−0.002 (2)
N1C	0.053 (3)	0.049 (3)	0.067 (3)	−0.002 (2)	0.012 (2)	−0.008 (2)
N1D	0.081 (4)	0.090 (5)	0.147 (6)	−0.014 (4)	0.002 (4)	0.015 (4)
N1E	0.074 (3)	0.065 (3)	0.057 (3)	0.006 (3)	0.027 (2)	0.013 (3)
N1F	0.048 (3)	0.109 (4)	0.075 (3)	0.018 (3)	0.022 (2)	0.034 (3)
C1A	0.072 (4)	0.049 (3)	0.037 (3)	0.008 (3)	0.000 (3)	0.001 (2)
C2A	0.075 (4)	0.057 (3)	0.049 (3)	0.013 (3)	−0.007 (3)	−0.009 (3)
C3A	0.070 (4)	0.077 (4)	0.046 (3)	0.021 (3)	0.005 (3)	0.006 (3)
C4A	0.074 (4)	0.060 (4)	0.049 (3)	0.009 (3)	0.021 (3)	0.006 (3)
C5A	0.054 (3)	0.045 (3)	0.043 (3)	0.009 (3)	0.017 (2)	0.002 (2)
C6A	0.080 (4)	0.047 (3)	0.065 (4)	−0.006 (3)	0.012 (3)	0.004 (3)
C7A	0.068 (4)	0.065 (4)	0.069 (4)	−0.008 (3)	0.005 (3)	−0.017 (3)
C8A	0.049 (3)	0.058 (3)	0.058 (3)	0.002 (3)	0.000 (3)	−0.025 (3)
C9A	0.090 (5)	0.080 (4)	0.084 (4)	0.010 (4)	−0.013 (4)	−0.036 (4)
C10A	0.118 (6)	0.097 (5)	0.062 (4)	0.027 (5)	−0.015 (4)	−0.039 (4)
C11A	0.123 (6)	0.106 (5)	0.037 (3)	0.023 (5)	0.006 (4)	−0.005 (4)
C12A	0.086 (4)	0.072 (4)	0.053 (3)	−0.002 (4)	0.004 (3)	−0.009 (3)
C1B	0.226 (9)	0.063 (4)	0.039 (3)	−0.020 (5)	0.026 (4)	−0.009 (3)
C2B	0.302 (12)	0.080 (5)	0.048 (4)	−0.005 (7)	0.024 (6)	−0.024 (4)
C3B	0.234 (9)	0.086 (5)	0.052 (4)	0.004 (6)	0.050 (5)	−0.004 (4)
C4B	0.129 (6)	0.083 (5)	0.047 (3)	−0.001 (4)	0.031 (4)	0.021 (3)
C5B	0.065 (4)	0.068 (4)	0.043 (3)	−0.004 (3)	0.014 (3)	0.012 (3)
C6B	0.124 (5)	0.048 (3)	0.050 (3)	−0.011 (4)	0.019 (3)	0.006 (3)
C7B	0.129 (6)	0.038 (3)	0.057 (3)	−0.010 (4)	0.013 (4)	−0.005 (3)
C8B	0.044 (3)	0.048 (3)	0.056 (3)	0.003 (3)	−0.001 (3)	−0.007 (3)
C9B	0.066 (4)	0.055 (3)	0.068 (4)	−0.004 (3)	0.001 (3)	−0.019 (3)
C11B	0.083 (4)	0.087 (4)	0.040 (3)	0.001 (4)	0.011 (3)	0.006 (3)
C12B	0.080 (4)	0.060 (3)	0.045 (3)	−0.009 (3)	0.013 (3)	−0.006 (3)
C10B	0.065 (4)	0.090 (5)	0.061 (4)	−0.002 (4)	0.008 (3)	−0.029 (4)
C1C	0.052 (3)	0.034 (3)	0.043 (3)	0.000 (2)	0.010 (2)	0.001 (2)
C2C	0.055 (3)	0.045 (3)	0.042 (3)	0.001 (3)	0.009 (2)	−0.007 (2)
C3C	0.055 (3)	0.041 (3)	0.054 (3)	0.004 (3)	0.014 (3)	0.007 (2)
C4C	0.041 (3)	0.041 (3)	0.046 (3)	0.004 (2)	0.008 (2)	−0.009 (2)
C5C	0.056 (3)	0.054 (3)	0.040 (3)	0.003 (3)	0.008 (2)	−0.010 (3)
C6C	0.065 (3)	0.046 (3)	0.039 (3)	−0.002 (3)	0.012 (3)	0.002 (2)
C1D	0.049 (3)	0.037 (3)	0.054 (3)	0.004 (3)	−0.005 (3)	0.012 (2)
C2D	0.074 (4)	0.105 (5)	0.061 (4)	−0.012 (4)	0.016 (3)	−0.015 (4)
C3D	0.082 (5)	0.115 (6)	0.057 (4)	−0.017 (4)	0.002 (3)	−0.024 (4)
C4D	0.051 (4)	0.062 (4)	0.087 (4)	−0.007 (3)	0.001 (3)	0.014 (3)
C5D	0.068 (4)	0.083 (4)	0.074 (4)	−0.001 (4)	0.027 (3)	0.014 (4)
C6D	0.076 (4)	0.074 (4)	0.046 (3)	−0.008 (3)	0.010 (3)	0.002 (3)
C1E	0.043 (3)	0.047 (3)	0.028 (2)	0.001 (2)	0.006 (2)	0.002 (2)
C2E	0.052 (3)	0.039 (3)	0.044 (3)	−0.001 (3)	0.007 (2)	−0.006 (2)
C3E	0.061 (3)	0.060 (3)	0.030 (2)	−0.001 (3)	0.005 (2)	−0.002 (2)
C4E	0.048 (3)	0.040 (3)	0.048 (3)	0.006 (2)	0.011 (2)	0.011 (2)
C5E	0.059 (3)	0.047 (3)	0.043 (3)	0.001 (3)	0.003 (2)	0.002 (3)
C6E	0.062 (3)	0.044 (3)	0.036 (3)	0.009 (3)	0.005 (2)	−0.002 (2)
C1F	0.057 (3)	0.046 (3)	0.040 (3)	0.009 (3)	0.014 (2)	0.009 (2)
C2F	0.060 (3)	0.063 (4)	0.055 (3)	0.009 (3)	0.021 (3)	0.002 (3)
C3F	0.053 (3)	0.069 (4)	0.061 (3)	0.003 (3)	0.012 (3)	0.010 (3)
C4F	0.060 (3)	0.060 (3)	0.053 (3)	0.007 (3)	0.017 (3)	0.016 (3)
C5F	0.062 (3)	0.076 (4)	0.059 (3)	0.034 (3)	0.028 (3)	0.010 (3)
C6F	0.088 (4)	0.050 (3)	0.055 (3)	0.017 (3)	0.021 (3)	−0.004 (3)

Geometric parameters (Å, º) top

Cu1—N1A	1.983 (4)	C7A—H7AA	0.9700
Cu1—N2A	1.998 (4)	C7A—H7AB	0.9700
Cu1—N3A	1.968 (4)	C8A—C9A	1.378 (8)
Cu1—O11	1.954 (3)	C9A—C10A	1.393 (9)
Cu1—O21	2.189 (4)	C9A—H9AA	0.9300
Cu2—N1B	1.981 (4)	C10A—C11A	1.371 (9)
Cu2—N2BA	2.066 (11)	C10A—H10A	0.9300
Cu2—N2BB	1.980 (7)	C11A—C12A	1.362 (7)
Cu2—N3B	1.985 (4)	C11A—H11A	0.9300
Cu2—O12	2.244 (3)	C12A—H12A	0.9300
Cu2—O22	1.929 (3)	C1B—C2B	1.367 (8)
Cl1—O13A	1.312 (7)	C1B—H1BA	0.9300
Cl1—O14A	1.354 (6)	C2B—C3B	1.370 (10)
Cl1—O12A	1.388 (6)	C2B—H2BA	0.9300
Cl1—O11A	1.449 (7)	C3B—C4B	1.341 (9)
Cl2—O23A	1.388 (3)	C3B—H3BA	0.9300
Cl2—O22B	1.392 (3)	C4B—C5B	1.377 (7)
Cl2—O23B	1.401 (3)	C4B—H4BA	0.9300
Cl2—O24A	1.401 (3)	C5B—C6B	1.503 (8)
Cl2—O24B	1.408 (3)	C6B—H6B	0.9737
Cl2—O21A	1.410 (2)	C7B—C8B	1.487 (7)
Cl2—O22A	1.411 (3)	C7B—H7B	0.9576
P1—O12	1.459 (4)	C8B—C9B	1.391 (7)
P1—O11	1.474 (3)	C9B—C10B	1.356 (8)
P1—O14	1.590 (3)	C9B—H9BA	0.9300
P1—O13	1.617 (3)	C11B—C10B	1.374 (8)
P2—O22	1.471 (3)	C11B—C12B	1.387 (7)
P2—O21	1.473 (4)	C11B—H11B	0.9300
P2—O24	1.594 (4)	C12B—H12B	0.9300
P2—O23	1.610 (3)	C10B—H10B	0.9300
O13—C1C	1.371 (5)	C1C—C6C	1.381 (6)
O14—C1D	1.398 (6)	C1C—C2C	1.387 (6)
O23—C1E	1.384 (5)	C2C—C3C	1.384 (7)
O24—C1F	1.393 (6)	C2C—H2CA	0.9300
O1C—N1C	1.214 (5)	C3C—C4C	1.382 (6)
O2C—N1C	1.222 (5)	C3C—H3CA	0.9300
O1D—N1D	1.215 (9)	C4C—C5C	1.371 (7)
O2D—N1D	1.228 (9)	C5C—C6C	1.378 (7)
O1E—N1E	1.214 (6)	C5C—H5CA	0.9300
O2E—N1E	1.208 (5)	C6C—H6CA	0.9300
O1F—N1F	1.215 (7)	C1D—C6D	1.359 (7)
O2F—N1F	1.227 (7)	C1D—C2D	1.361 (7)
N1A—C5A	1.339 (6)	C2D—C3D	1.369 (8)
N1A—C1A	1.345 (6)	C2D—H2DA	0.9300
N2A—C6A	1.457 (6)	C3D—C4D	1.344 (8)
N2A—C7A	1.458 (6)	C3D—H3DA	0.9300
N2A—H2AB	0.9100	C4D—C5D	1.376 (8)
N3A—C12A	1.340 (7)	C5D—C6D	1.380 (8)
N3A—C8A	1.343 (6)	C5D—H5DA	0.9300
N1B—C1B	1.319 (7)	C6D—H6DA	0.9300
N1B—C5B	1.338 (6)	C1E—C2E	1.371 (6)
N2BB—C6B	1.428 (8)	C1E—C6E	1.391 (6)
N2BB—C7B	1.435 (9)	C2E—C3E	1.370 (7)
N2BB—H2BB	0.9100	C2E—H2EA	0.9300
N2BA—C7B	1.356 (11)	C3E—C4E	1.368 (7)
N2BA—C6B	1.426 (12)	C3E—H3EA	0.9300
N2BA—H2BC	0.9100	C4E—C5E	1.380 (6)
N3B—C8B	1.334 (6)	C5E—C6E	1.371 (7)
N3B—C12B	1.335 (6)	C5E—H5EA	0.9300
N1C—C4C	1.484 (6)	C6E—H6EA	0.9300
N1D—C4D	1.461 (8)	C1F—C6F	1.369 (7)
N1E—C4E	1.477 (6)	C1F—C2F	1.384 (7)
N1F—C4F	1.475 (7)	C2F—C3F	1.378 (7)
C1A—C2A	1.374 (7)	C2F—H2FA	0.9300
C1A—H1AA	0.9300	C3F—C4F	1.362 (7)
C2A—C3A	1.370 (8)	C3F—H3FA	0.9300
C2A—H2AA	0.9300	C4F—C5F	1.365 (8)
C3A—C4A	1.377 (7)	C5F—C6F	1.381 (8)
C3A—H3AA	0.9300	C5F—H5FA	0.9300
C4A—C5A	1.377 (7)	C6F—H6FA	0.9300
C4A—H4AA	0.9300	N1S—C1S	1.09 (3)
C5A—C6A	1.496 (7)	C1S—C2S	1.59 (3)
C6A—H6AA	0.9700	C2S—H2SA	0.9600
C6A—H6AB	0.9700	C2S—H2SB	0.9600
C7A—C8A	1.502 (8)	C2S—H2SC	0.9600

O11—Cu1—N1A	97.38 (15)	C9A—C8A—C7A	123.5 (5)
O11—Cu1—N2A	166.81 (18)	C8A—C9A—C10A	117.8 (6)
O11—Cu1—N3A	95.11 (15)	C8A—C9A—H9AA	121.1
O11—Cu1—O21	95.13 (14)	C10A—C9A—H9AA	121.1
N1A—Cu1—N2A	82.48 (16)	C11A—C10A—C9A	120.1 (6)
N1A—Cu1—N3A	161.26 (17)	C11A—C10A—H10A	120.0
N1A—Cu1—O21	96.90 (14)	C9A—C10A—H10A	120.0
N2A—Cu1—N3A	82.18 (17)	C12A—C11A—C10A	118.4 (6)
N2A—Cu1—O21	97.99 (16)	C12A—C11A—H11A	120.8
N3A—Cu1—O21	95.83 (15)	C10A—C11A—H11A	120.8
O22—Cu2—N1B	96.48 (16)	N3A—C12A—C11A	123.0 (6)
O22—Cu2—N2BA	178.7 (3)	N3A—C12A—H12A	118.5
O22—Cu2—N2BB	159.4 (2)	C11A—C12A—H12A	118.5
O22—Cu2—N3B	95.85 (15)	N1B—C1B—C2B	122.7 (6)
O22—Cu2—O12	99.52 (14)	N1B—C1B—H1BA	118.6
N1B—Cu2—N2BA	84.7 (3)	C2B—C1B—H1BA	118.6
N1B—Cu2—N2BB	81.9 (2)	C1B—C2B—C3B	118.6 (7)
N1B—Cu2—N3B	163.39 (17)	C1B—C2B—H2BA	120.7
N1B—Cu2—O12	95.74 (16)	C3B—C2B—H2BA	120.7
N2BA—Cu2—O12	79.8 (3)	C4B—C3B—C2B	119.1 (6)
N2BA—Cu2—N3B	83.0 (3)	C4B—C3B—H3BA	120.4
N2BB—Cu2—N3B	82.7 (2)	C2B—C3B—H3BA	120.4
N2BB—Cu2—O12	101.1 (2)	C3B—C4B—C5B	119.9 (6)
N3B—Cu2—O12	93.15 (14)	C3B—C4B—H4BA	120.1
O13A—Cl1—O14A	118.6 (5)	C5B—C4B—H4BA	120.1
O13A—Cl1—O12A	109.9 (4)	N1B—C5B—C4B	121.2 (5)
O14A—Cl1—O12A	110.6 (4)	N1B—C5B—C6B	115.4 (4)
O13A—Cl1—O11A	101.5 (5)	C4B—C5B—C6B	123.4 (5)
O14A—Cl1—O11A	104.0 (4)	N2BA—C6B—C5B	116.4 (6)
O12A—Cl1—O11A	111.7 (4)	N2BB—C6B—C5B	109.9 (5)
O22B—Cl2—O23B	110.4 (3)	N2BA—C6B—H6B	127.7
O23A—Cl2—O24A	110.5 (2)	N2BB—C6B—H6B	124.1
O22B—Cl2—O24B	109.8 (3)	C5B—C6B—H6B	116.0
O23B—Cl2—O24B	109.2 (3)	N2BA—C7B—C8B	114.4 (6)
O23A—Cl2—O21A	110.7 (2)	N2BB—C7B—C8B	109.9 (5)
O22B—Cl2—O21A	110.2 (3)	N2BA—C7B—H7B	129.5
O23B—Cl2—O21A	109.0 (3)	N2BB—C7B—H7B	122.7
O24A—Cl2—O21A	108.5 (2)	C8B—C7B—H7B	116.1
O24B—Cl2—O21A	108.2 (2)	N3B—C8B—C9B	119.9 (5)
O23A—Cl2—O22A	110.0 (2)	N3B—C8B—C7B	117.4 (4)
O24A—Cl2—O22A	108.7 (2)	C9B—C8B—C7B	122.7 (5)
O21A—Cl2—O22A	108.4 (2)	C10B—C9B—C8B	119.8 (5)
O12—P1—O11	121.5 (2)	C10B—C9B—H9BA	120.1
O12—P1—O14	105.46 (19)	C8B—C9B—H9BA	120.1
O11—P1—O14	110.0 (2)	C10B—C11B—C12B	118.2 (5)
O12—P1—O13	111.1 (2)	C10B—C11B—H11B	120.9
O11—P1—O13	102.95 (19)	C12B—C11B—H11B	120.9
O14—P1—O13	104.87 (19)	N3B—C12B—C11B	121.2 (5)
O22—P2—O21	121.0 (2)	N3B—C12B—H12B	119.4
O22—P2—O24	110.5 (2)	C11B—C12B—H12B	119.4
O21—P2—O24	104.96 (19)	C9B—C10B—C11B	120.1 (5)
O22—P2—O23	102.91 (18)	C9B—C10B—H10B	120.0
O21—P2—O23	112.41 (19)	C11B—C10B—H10B	120.0
O24—P2—O23	103.92 (18)	O13—C1C—C6C	115.5 (4)
P1—O11—Cu1	173.3 (2)	O13—C1C—C2C	123.8 (4)
P1—O12—Cu2	134.1 (2)	C6C—C1C—C2C	120.8 (4)
C1C—O13—P1	128.9 (3)	C3C—C2C—C1C	119.2 (4)
C1D—O14—P1	122.5 (3)	C3C—C2C—H2CA	120.4
P2—O21—Cu1	135.5 (2)	C1C—C2C—H2CA	120.4
P2—O22—Cu2	171.0 (2)	C4C—C3C—C2C	118.8 (5)
C1E—O23—P2	127.1 (3)	C4C—C3C—H3CA	120.6
C1F—O24—P2	128.3 (3)	C2C—C3C—H3CA	120.6
C5A—N1A—C1A	118.8 (4)	C5C—C4C—C3C	122.5 (5)
C5A—N1A—Cu1	116.2 (3)	C5C—C4C—N1C	118.4 (4)
C1A—N1A—Cu1	124.9 (3)	C3C—C4C—N1C	119.1 (4)
C6A—N2A—C7A	117.3 (4)	C4C—C5C—C6C	118.4 (5)
C6A—N2A—Cu1	112.0 (3)	C4C—C5C—H5CA	120.8
C7A—N2A—Cu1	109.1 (3)	C6C—C5C—H5CA	120.8
C6A—N2A—H2AB	105.8	C5C—C6C—C1C	120.3 (5)
C7A—N2A—H2AB	105.8	C5C—C6C—H6CA	119.8
Cu1—N2A—H2AB	105.8	C1C—C6C—H6CA	119.8
C12A—N3A—C8A	118.5 (4)	C6D—C1D—C2D	122.8 (5)
C12A—N3A—Cu1	126.0 (4)	C6D—C1D—O14	120.4 (5)
C8A—N3A—Cu1	115.3 (3)	C2D—C1D—O14	116.8 (5)
C1B—N1B—C5B	118.4 (5)	C1D—C2D—C3D	119.2 (6)
C1B—N1B—Cu2	127.4 (4)	C1D—C2D—H2DA	120.4
C5B—N1B—Cu2	114.1 (3)	C3D—C2D—H2DA	120.4
C6B—N2BB—C7B	121.1 (6)	C4D—C3D—C2D	119.0 (6)
C6B—N2BB—Cu2	111.1 (5)	C4D—C3D—H3DA	120.5
C7B—N2BB—Cu2	110.4 (5)	C2D—C3D—H3DA	120.5
C6B—N2BB—H2BB	104.1	C3D—C4D—C5D	122.0 (6)
C7B—N2BB—H2BB	104.1	C3D—C4D—N1D	120.3 (6)
Cu2—N2BB—H2BB	104.1	C5D—C4D—N1D	117.7 (6)
C7B—N2BA—C6B	127.2 (9)	C4D—C5D—C6D	119.4 (6)
C7B—N2BA—Cu2	109.3 (7)	C4D—C5D—H5DA	120.3
C6B—N2BA—Cu2	106.6 (7)	C6D—C5D—H5DA	120.3
C7B—N2BA—H2BC	103.7	C1D—C6D—C5D	117.5 (5)
C6B—N2BA—H2BC	103.7	C1D—C6D—H6DA	121.2
Cu2—N2BA—H2BC	103.7	C5D—C6D—H6DA	121.2
C8B—N3B—C12B	120.7 (4)	C2E—C1E—O23	114.8 (4)
C8B—N3B—Cu2	112.3 (3)	C2E—C1E—C6E	121.6 (4)
C12B—N3B—Cu2	126.8 (3)	O23—C1E—C6E	123.6 (4)
O1C—N1C—O2C	124.9 (5)	C3E—C2E—C1E	119.8 (5)
O1C—N1C—C4C	118.2 (4)	C3E—C2E—H2EA	120.1
O2C—N1C—C4C	116.9 (4)	C1E—C2E—H2EA	120.1
O1D—N1D—O2D	124.6 (7)	C4E—C3E—C2E	118.7 (4)
O1D—N1D—C4D	117.2 (7)	C4E—C3E—H3EA	120.6
O2D—N1D—C4D	118.1 (7)	C2E—C3E—H3EA	120.6
O2E—N1E—O1E	123.9 (5)	C3E—C4E—C5E	122.0 (5)
O2E—N1E—C4E	117.4 (5)	C3E—C4E—N1E	119.2 (4)
O1E—N1E—C4E	118.8 (4)	C5E—C4E—N1E	118.8 (4)
O1F—N1F—O2F	123.7 (5)	C6E—C5E—C4E	119.5 (5)
O1F—N1F—C4F	118.0 (5)	C6E—C5E—H5EA	120.2
O2F—N1F—C4F	118.3 (5)	C4E—C5E—H5EA	120.2
N1A—C1A—C2A	122.1 (5)	C5E—C6E—C1E	118.3 (4)
N1A—C1A—H1AA	118.9	C5E—C6E—H6EA	120.9
C2A—C1A—H1AA	118.9	C1E—C6E—H6EA	120.9
C3A—C2A—C1A	118.6 (5)	C6F—C1F—C2F	121.2 (5)
C3A—C2A—H2AA	120.7	C6F—C1F—O24	116.1 (5)
C1A—C2A—H2AA	120.7	C2F—C1F—O24	122.7 (5)
C2A—C3A—C4A	120.0 (5)	C3F—C2F—C1F	119.1 (5)
C2A—C3A—H3AA	120.0	C3F—C2F—H2FA	120.4
C4A—C3A—H3AA	120.0	C1F—C2F—H2FA	120.4
C5A—C4A—C3A	118.4 (5)	C4F—C3F—C2F	119.2 (5)
C5A—C4A—H4AA	120.8	C4F—C3F—H3FA	120.4
C3A—C4A—H4AA	120.8	C2F—C3F—H3FA	120.4
N1A—C5A—C4A	122.1 (5)	C3F—C4F—C5F	122.0 (5)
N1A—C5A—C6A	115.0 (4)	C3F—C4F—N1F	120.0 (5)
C4A—C5A—C6A	123.0 (5)	C5F—C4F—N1F	117.9 (5)
N2A—C6A—C5A	111.5 (4)	C4F—C5F—C6F	119.4 (5)
N2A—C6A—H6AA	109.3	C4F—C5F—H5FA	120.3
C5A—C6A—H6AA	109.3	C6F—C5F—H5FA	120.3
N2A—C6A—H6AB	109.3	C1F—C6F—C5F	119.1 (5)
C5A—C6A—H6AB	109.3	C1F—C6F—H6FA	120.5
H6AA—C6A—H6AB	108.0	C5F—C6F—H6FA	120.5
N2A—C7A—C8A	109.6 (5)	N1S—C1S—C2S	171 (3)
N2A—C7A—H7AA	109.8	C1S—C2S—H2SA	109.5
C8A—C7A—H7AA	109.8	C1S—C2S—H2SB	109.5
N2A—C7A—H7AB	109.8	H2SA—C2S—H2SB	109.5
C8A—C7A—H7AB	109.8	C1S—C2S—H2SC	109.5
H7AA—C7A—H7AB	108.2	H2SA—C2S—H2SC	109.5
N3A—C8A—C9A	122.2 (5)	H2SB—C2S—H2SC	109.5
N3A—C8A—C7A	114.3 (4)

O11—P1—O12—Cu2	−42.9 (4)	N3B—Cu2—N2BB—C7B	−24.3 (5)
O14—P1—O12—Cu2	−168.7 (2)	N2BA—Cu2—N2BB—C7B	65.4 (11)
O13—P1—O12—Cu2	78.2 (3)	O12—Cu2—N2BB—C7B	67.5 (5)
O22—Cu2—O12—P1	19.7 (3)	N2BB—Cu2—N2BA—C7B	−72.9 (11)
N2BB—Cu2—O12—P1	−159.9 (3)	N1B—Cu2—N2BA—C7B	−154.0 (7)
N1B—Cu2—O12—P1	117.3 (3)	N3B—Cu2—N2BA—C7B	14.7 (7)
N3B—Cu2—O12—P1	−76.8 (3)	O12—Cu2—N2BA—C7B	109.2 (7)
N2BA—Cu2—O12—P1	−159.1 (4)	N2BB—Cu2—N2BA—C6B	67.8 (11)
O12—P1—O13—C1C	41.4 (5)	N1B—Cu2—N2BA—C6B	−13.3 (6)
O14—P1—O13—C1C	−72.0 (4)	N3B—Cu2—N2BA—C6B	155.5 (7)
O12—P1—O14—C1D	160.1 (4)	O12—Cu2—N2BA—C6B	−110.1 (6)
O11—P1—O14—C1D	27.6 (4)	N2BB—Cu2—N3B—C8B	15.7 (4)
O13—P1—O14—C1D	−82.5 (4)	N1B—Cu2—N3B—C8B	37.2 (8)
O22—P2—O21—Cu1	−53.0 (4)	N2BA—Cu2—N3B—C8B	−5.8 (5)
O23—P2—O21—Cu1	69.0 (3)	O12—Cu2—N3B—C8B	−85.1 (3)
O11—Cu1—O21—P2	40.6 (3)	O22—Cu2—N3B—C12B	−9.6 (4)
N3A—Cu1—O21—P2	136.3 (3)	N2BB—Cu2—N3B—C12B	−168.9 (5)
N1A—Cu1—O21—P2	−57.5 (3)	N1B—Cu2—N3B—C12B	−147.4 (6)
N2A—Cu1—O21—P2	−140.8 (3)	N2BA—Cu2—N3B—C12B	169.7 (5)
O21—P2—O23—C1E	43.0 (4)	O12—Cu2—N3B—C12B	90.3 (4)
O24—P2—O23—C1E	−70.0 (4)	C7A—N2A—C6A—C5A	−145.8 (5)
O22—P2—O24—C1F	43.9 (4)	Cu1—N2A—C6A—C5A	−18.4 (6)
O23—P2—O24—C1F	−65.9 (4)	N1A—C5A—C6A—N2A	16.2 (7)
O11—Cu1—N1A—C5A	163.2 (3)	C4A—C5A—C6A—N2A	−164.2 (5)
N3A—Cu1—N1A—C5A	31.8 (7)	C6A—N2A—C7A—C8A	161.9 (5)
N2A—Cu1—N1A—C5A	−3.5 (4)	Cu1—N2A—C7A—C8A	33.1 (5)
O21—Cu1—N1A—C5A	−100.7 (3)	N2A—C7A—C8A—N3A	−24.8 (7)
O11—Cu1—N1A—C1A	−22.2 (4)	N2A—C7A—C8A—C9A	155.5 (5)
N3A—Cu1—N1A—C1A	−153.7 (5)	C7B—N2BA—C6B—N2BB	64.9 (12)
O21—Cu1—N1A—C1A	73.9 (4)	Cu2—N2BA—C6B—N2BB	−66.5 (10)
O11—Cu1—N2A—C6A	−77.9 (8)	C7B—N2BA—C6B—C5B	149.6 (9)
N3A—Cu1—N2A—C6A	−156.9 (4)	Cu2—N2BA—C6B—C5B	18.2 (9)
N1A—Cu1—N2A—C6A	12.3 (4)	C7B—N2BB—C6B—N2BA	−52.7 (11)
O21—Cu1—N2A—C6A	108.3 (4)	Cu2—N2BB—C6B—N2BA	79.3 (11)
O11—Cu1—N2A—C7A	53.7 (8)	C7B—N2BB—C6B—C5B	−161.1 (6)
N3A—Cu1—N2A—C7A	−25.2 (4)	Cu2—N2BB—C6B—C5B	−29.1 (7)
N1A—Cu1—N2A—C7A	144.0 (4)	N1B—C5B—C6B—N2BA	−14.7 (9)
O21—Cu1—N2A—C7A	−120.1 (4)	C4B—C5B—C6B—N2BA	164.5 (7)
O11—Cu1—N3A—C12A	29.3 (5)	N1B—C5B—C6B—N2BB	17.8 (8)
N1A—Cu1—N3A—C12A	161.0 (5)	C4B—C5B—C6B—N2BB	−163.0 (6)
N2A—Cu1—N3A—C12A	−163.7 (5)	C6B—N2BA—C7B—N2BB	−62.5 (12)
O21—Cu1—N3A—C12A	−66.4 (5)	Cu2—N2BA—C7B—N2BB	67.9 (10)
O11—Cu1—N3A—C8A	−154.8 (4)	C6B—N2BA—C7B—C8B	−150.8 (9)
N1A—Cu1—N3A—C8A	−23.1 (7)	Cu2—N2BA—C7B—C8B	−20.4 (9)
N2A—Cu1—N3A—C8A	12.2 (4)	C6B—N2BB—C7B—N2BA	55.4 (11)
O21—Cu1—N3A—C8A	109.5 (4)	Cu2—N2BB—C7B—N2BA	−76.8 (11)
O22—Cu2—N1B—C1B	10.3 (6)	C6B—N2BB—C7B—C8B	160.0 (6)
N2BB—Cu2—N1B—C1B	169.6 (7)	Cu2—N2BB—C7B—C8B	27.7 (7)
N3B—Cu2—N1B—C1B	148.0 (7)	C12B—N3B—C8B—C9B	−0.5 (8)
N2BA—Cu2—N1B—C1B	−169.2 (7)	Cu2—N3B—C8B—C7B	−3.9 (6)
O12—Cu2—N1B—C1B	−90.0 (6)	N2BA—C7B—C8B—N3B	17.2 (9)
N2BB—Cu2—N1B—C5B	−14.9 (4)	N2BB—C7B—C8B—N3B	−16.0 (8)
N3B—Cu2—N1B—C5B	−36.5 (9)	N2BA—C7B—C8B—C9B	−161.9 (7)
N2BA—Cu2—N1B—C5B	6.3 (5)	N2BB—C7B—C8B—C9B	164.9 (6)
O12—Cu2—N1B—C5B	85.5 (4)	P1—O13—C1C—C6C	−165.6 (4)
O22—Cu2—N2BB—C6B	111.4 (7)	P1—O13—C1C—C2C	13.7 (7)
N1B—Cu2—N2BB—C6B	24.6 (5)	P1—O14—C1D—C6D	78.2 (6)
N3B—Cu2—N2BB—C6B	−161.5 (5)	P1—O14—C1D—C2D	−104.5 (5)
N2BA—Cu2—N2BB—C6B	−71.8 (11)	O1D—N1D—C4D—C3D	11.1 (10)
O12—Cu2—N2BB—C6B	−69.7 (5)	O2D—N1D—C4D—C3D	−170.0 (7)
O22—Cu2—N2BB—C7B	−111.4 (7)	O1D—N1D—C4D—C5D	−169.8 (6)
N1B—Cu2—N2BB—C7B	161.8 (5)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N2A—H2AB···O14Aⁱ	0.91	2.28	3.134 (8)	156
N2BB—H2BB···O22A	0.91	2.10	2.934 (8)	153
N2BA—H2BC···O12	0.91	2.31	2.769 (11)	111
N2BA—H2BC···O11Aⁱⁱ	0.91	2.50	3.208 (13)	135

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

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Bis[μ-bis­(4-nitro­phen­yl)phosphato-κ2O:O′]bis­{[bis­(2-pyridylmeth­yl)amine-κ3N,N′,N′′′]copper(II)} diperchlorate acetonitrile hemisolvate

Supporting information

Key indicators

checkCIF/PLATON results

Bis[μ-bis(4-nitrophenyl)phosphato-κ²O:O′]bis{[bis(2-pyridylmethyl)amine-κ³N,N′,N′′′]copper(II)} diperchlorate acetonitrile hemisolvate