Bis­{(Z)-N′-(2,4-dichloro­benzyl­idene)-2-hydroxy­benzohydrazide-κ2N′,O}bis(pyridine-κN)cobalt(II). Corrigendum

Qiu, X.-Y.; Yang, S.-L.; Liu, W.-S.; Zhu, H.

doi:10.1107/S1600536807006800

addenda and errata

CRYSTALLOGRAPHIC
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ISSN: 2056-9890

Volume 63| Part 3| March 2007| Pages e9-e10

https://doi.org/10.1107/S1600536807006800

Bis{(Z)-N′-(2,4-dichlorobenzylidene)-2-hydroxybenzohydrazide-κ²N′,O}bis(pyridine-κN)cobalt(II). Corrigendum¹ ¹

Xiao-Yang Qiu,^a,^b Sen-Lin Yang,^b Wei-Sheng Liu ^a ^* and Hai-Liang Zhu ^c ^*

^aDepartment of Chemistry, Lanzhou University, Lanzhou 730000, People's Republic of China, ^bDepartment of Chemistry, Fuyang Normal College, Fuyang Anhui 236041, People's Republic of China, and ^cInstitute of Functional Biomolecules, State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing 210093, People's Republic of China
^*Correspondence e-mail: liuws@lzu.edu.cn, hailiang_zhu@163.com

(Received 17 November 2006; accepted 8 February 2007; online 14 February 2007)

In the original paper by Qiu, Yang, Liu & Zhu [Acta Cryst. (2006), E62, m1320–m1231], the H atoms attached to N1 and N3 are positioned incorrectly. These have been deleted and the structure rerefined. The correct name of the structure is bis(2,4-dichlorobenzaldehyde 2-hydroxybenzoylhydrazonato-κ²N,O)bis(pyridine-κN)cobalt(II). The scheme, figure, Crystal data, Refinement and hydrogen-bond table are corrected.

Figure 1
The structure of (I)

, showing 30% probability displacement ellipsoids and the atom-numbering scheme. The dashed lines indicate hydrogen bonds.

2. Experimental

2.1.1. Crystal data

[Co(C₁₄H₉Cl₂N₂O₂)₂(C₅H₅N)₂]
M_r = 833.39
Monoclinic, P 2₁ /n
a = 13.1832 (5) Å
b = 12.2799 (5) Å
c = 23.2108 (10) Å
β = 97.934 (2)°
V = 3721.6 (3) Å³
Z = 4
Mo Kα radiation
μ = 0.80 mm⁻¹
T = 298 (2) K
0.36 × 0.26 × 0.14 mm

2.1.3. Refinement

R[F² > 2σ(F²)] = 0.043
wR(F²) = 0.092
S = 1.02
7675 reflections
486 parameters
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.34 e Å⁻³
Δρ_min = −0.37 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1⋯N1	0.80 (3)	1.87 (3)	2.566 (3)	144 (3)
O3—H16⋯N3	0.84 (4)	1.83 (4)	2.564 (3)	146 (3)

Supporting information

Crystal structure: contains datablocks global, I. DOI: https://doi.org/10.1107/S1600536807006800/wn2098sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536807006800/wn2098Isup2.hkl

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

bis(2,4-dichlorobenzaldehyde 2-hydroxybenzoylhydrazonato-κ²N,O)bis(pyridine-κN)cobalt(II) top

Crystal data top

[Ni(C₁₄H₉Cl₂N₂O₂)₂(C₅H₅N)₂]	F(000) = 1700
M_r = 833.39	D_x = 1.487 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 6285 reflections
a = 13.1832 (5) Å	θ = 4.2–26°
b = 12.2799 (5) Å	µ = 0.80 mm⁻¹
c = 23.2108 (10) Å	T = 298 K
β = 97.934 (2)°	Block, red
V = 3721.6 (3) Å³	0.36 × 0.26 × 0.14 mm
Z = 4

Data collection top

Bruker SMART APEX area-detector diffractometer	7675 independent reflections
Radiation source: fine-focus sealed tube	5595 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.033
ω scans	θ_max = 26.5°, θ_min = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −16→16
T_min = 0.778, T_max = 0.889	k = −15→15
21284 measured reflections	l = −29→19

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)] = 0.043	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.092	H atoms treated by a mixture of independent and constrained refinement
S = 1.02	w = 1/[σ²(F_o²) + (0.031P)² + 1.5838P] where P = (F_o² + 2F_c²)/3
7675 reflections	(Δ/σ)_max = 0.001
486 parameters	Δρ_max = 0.34 e Å⁻³
0 restraints	Δρ_min = −0.37 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
C1	1.15574 (17)	0.11735 (19)	0.12753 (10)	0.0378 (6)
C2	1.22602 (19)	0.1207 (2)	0.17894 (11)	0.0470 (7)
C3	1.3216 (2)	0.0729 (3)	0.17980 (13)	0.0601 (8)
H3A	1.3692	0.0776	0.2132	0.072*
C4	1.3469 (2)	0.0190 (3)	0.13222 (14)	0.0663 (9)
H4	1.4108	−0.0140	0.1339	0.080*
C5	1.2782 (2)	0.0132 (3)	0.08185 (13)	0.0635 (8)
H5	1.2951	−0.0237	0.0495	0.076*
C6	1.1844 (2)	0.0627 (2)	0.07994 (12)	0.0499 (7)
H6	1.1387	0.0596	0.0457	0.060*
C7	1.05404 (17)	0.17037 (18)	0.12285 (11)	0.0355 (6)
C8	0.90674 (19)	0.3037 (2)	0.20930 (11)	0.0451 (6)
H8	0.9582	0.3118	0.2407	0.054*
C9	0.80515 (19)	0.3460 (2)	0.21520 (10)	0.0423 (6)
C10	0.7922 (2)	0.4400 (2)	0.24674 (11)	0.0467 (6)
C11	0.6970 (2)	0.4766 (2)	0.25651 (12)	0.0541 (7)
H11	0.6904	0.5401	0.2775	0.065*
C12	0.6124 (2)	0.4172 (3)	0.23463 (12)	0.0547 (7)
C13	0.6206 (2)	0.3239 (2)	0.20292 (13)	0.0565 (7)
H13	0.5625	0.2845	0.1883	0.068*
C14	0.7169 (2)	0.2894 (2)	0.19313 (11)	0.0490 (7)
H14	0.7226	0.2268	0.1712	0.059*
C15	0.68982 (18)	0.53726 (19)	0.09960 (11)	0.0390 (6)
C16	0.7077 (2)	0.6370 (2)	0.12921 (11)	0.0440 (6)
C17	0.6250 (2)	0.6985 (2)	0.14198 (13)	0.0593 (8)
H17	0.6368	0.7630	0.1628	0.071*
C18	0.5266 (2)	0.6652 (3)	0.12437 (15)	0.0702 (9)
H18	0.4721	0.7078	0.1328	0.084*
C19	0.5075 (2)	0.5687 (3)	0.09409 (16)	0.0701 (9)
H19	0.4406	0.5465	0.0818	0.084*
C20	0.5886 (2)	0.5059 (2)	0.08241 (13)	0.0545 (7)
H20	0.5756	0.4406	0.0625	0.065*
C21	0.77413 (18)	0.46514 (18)	0.08709 (10)	0.0351 (5)
C22	1.03437 (19)	0.4669 (2)	0.10234 (11)	0.0446 (6)
H22	1.0435	0.5292	0.1252	0.054*
C23	1.12506 (18)	0.41165 (19)	0.08684 (11)	0.0414 (6)
C24	1.21444 (19)	0.4029 (2)	0.12690 (12)	0.0469 (6)
C25	1.3026 (2)	0.3577 (2)	0.11159 (13)	0.0537 (7)
H25	1.3616	0.3525	0.1385	0.064*
C26	1.3016 (2)	0.3206 (2)	0.05573 (14)	0.0528 (7)
C27	1.2152 (2)	0.3261 (2)	0.01503 (13)	0.0516 (7)
H27	1.2158	0.2998	−0.0225	0.062*
C28	1.1275 (2)	0.3719 (2)	0.03130 (12)	0.0468 (6)
H28	1.0687	0.3760	0.0042	0.056*
C29	0.7867 (2)	0.3100 (2)	−0.06182 (12)	0.0522 (7)
H29	0.7391	0.3505	−0.0448	0.063*
C30	0.7740 (2)	0.3005 (3)	−0.12136 (13)	0.0640 (9)
H30	0.7186	0.3338	−0.1437	0.077*
C31	0.8426 (3)	0.2422 (3)	−0.14754 (13)	0.0691 (9)
H31	0.8349	0.2344	−0.1878	0.083*
C32	0.9237 (3)	0.1952 (3)	−0.11271 (13)	0.0749 (10)
H32	0.9728	0.1557	−0.1291	0.090*
C33	0.9314 (2)	0.2073 (2)	−0.05322 (12)	0.0599 (8)
H33	0.9861	0.1744	−0.0301	0.072*
C34	0.66922 (19)	0.1427 (2)	0.05502 (11)	0.0478 (7)
H34	0.6426	0.2112	0.0446	0.057*
C35	0.6021 (2)	0.0575 (2)	0.05737 (13)	0.0564 (7)
H35	0.5318	0.0686	0.0489	0.068*
C36	0.6398 (2)	−0.0433 (2)	0.07224 (13)	0.0604 (8)
H36	0.5958	−0.1021	0.0738	0.072*
C37	0.7435 (2)	−0.0569 (2)	0.08490 (13)	0.0616 (8)
H37	0.7710	−0.1249	0.0954	0.074*
C38	0.8065 (2)	0.0320 (2)	0.08182 (12)	0.0516 (7)
H38	0.8769	0.0221	0.0905	0.062*
Cl1	0.89932 (6)	0.51535 (7)	0.27491 (4)	0.0763 (3)
Cl2	0.49246 (6)	0.46033 (9)	0.24863 (4)	0.0851 (3)
Cl3	1.21388 (6)	0.44738 (7)	0.19762 (3)	0.0738 (2)
Cl4	1.41345 (6)	0.26759 (7)	0.03511 (5)	0.0838 (3)
Co1	0.87434 (2)	0.26990 (3)	0.067207 (14)	0.03589 (10)
H1	1.149 (2)	0.196 (3)	0.2236 (14)	0.079 (12)*
H16	0.846 (3)	0.634 (3)	0.1355 (16)	0.100 (14)*
N1	1.02840 (15)	0.21304 (16)	0.17093 (9)	0.0406 (5)
N2	0.92933 (14)	0.25629 (15)	0.16358 (9)	0.0374 (5)
N3	0.86780 (15)	0.50435 (16)	0.10100 (9)	0.0396 (5)
N4	0.94306 (14)	0.43349 (15)	0.08595 (8)	0.0370 (5)
N5	0.86424 (16)	0.26376 (17)	−0.02715 (9)	0.0439 (5)
N6	0.77133 (15)	0.13159 (16)	0.06701 (9)	0.0408 (5)
O1	1.20508 (17)	0.1707 (2)	0.22773 (9)	0.0692 (7)
O2	0.99765 (12)	0.17201 (13)	0.07302 (7)	0.0397 (4)
O3	0.80262 (17)	0.67721 (17)	0.14589 (9)	0.0606 (6)
O4	0.75276 (12)	0.37119 (13)	0.06474 (7)	0.0419 (4)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.0347 (13)	0.0391 (13)	0.0397 (15)	0.0035 (11)	0.0050 (11)	0.0079 (11)
C2	0.0418 (15)	0.0583 (17)	0.0398 (16)	0.0097 (13)	0.0021 (12)	0.0072 (13)
C3	0.0376 (15)	0.087 (2)	0.0523 (19)	0.0130 (15)	−0.0051 (13)	0.0138 (16)
C4	0.0415 (16)	0.093 (2)	0.066 (2)	0.0248 (16)	0.0130 (15)	0.0192 (18)
C5	0.0543 (18)	0.086 (2)	0.0520 (19)	0.0229 (17)	0.0140 (14)	−0.0014 (16)
C6	0.0465 (16)	0.0593 (17)	0.0430 (16)	0.0125 (14)	0.0028 (12)	0.0008 (13)
C7	0.0348 (13)	0.0315 (12)	0.0389 (15)	0.0007 (10)	0.0011 (11)	0.0053 (10)
C8	0.0460 (15)	0.0539 (16)	0.0350 (15)	0.0073 (13)	0.0039 (12)	0.0026 (12)
C9	0.0464 (15)	0.0499 (15)	0.0310 (14)	0.0077 (12)	0.0069 (11)	0.0035 (11)
C10	0.0470 (15)	0.0560 (17)	0.0360 (15)	0.0020 (13)	0.0017 (11)	−0.0024 (12)
C11	0.0589 (18)	0.0598 (18)	0.0440 (17)	0.0124 (15)	0.0085 (13)	−0.0091 (13)
C12	0.0488 (17)	0.069 (2)	0.0481 (18)	0.0133 (15)	0.0147 (13)	0.0027 (15)
C13	0.0462 (16)	0.0639 (19)	0.060 (2)	−0.0035 (14)	0.0093 (14)	0.0003 (15)
C14	0.0531 (17)	0.0478 (16)	0.0469 (17)	0.0038 (13)	0.0101 (13)	−0.0051 (12)
C15	0.0404 (14)	0.0334 (13)	0.0442 (15)	0.0017 (11)	0.0096 (11)	0.0044 (11)
C16	0.0493 (16)	0.0386 (14)	0.0454 (16)	0.0037 (12)	0.0107 (12)	0.0028 (12)
C17	0.071 (2)	0.0452 (16)	0.066 (2)	0.0084 (15)	0.0253 (16)	−0.0031 (14)
C18	0.058 (2)	0.056 (2)	0.104 (3)	0.0163 (16)	0.0368 (18)	0.0052 (18)
C19	0.0408 (16)	0.057 (2)	0.116 (3)	0.0041 (15)	0.0217 (17)	0.0066 (19)
C20	0.0427 (15)	0.0419 (15)	0.080 (2)	0.0006 (13)	0.0122 (14)	0.0005 (14)
C21	0.0375 (13)	0.0322 (13)	0.0354 (14)	0.0029 (11)	0.0039 (10)	0.0028 (10)
C22	0.0401 (14)	0.0399 (14)	0.0534 (17)	−0.0035 (12)	0.0051 (12)	−0.0027 (12)
C23	0.0340 (13)	0.0370 (14)	0.0531 (17)	−0.0039 (11)	0.0055 (11)	0.0034 (12)
C24	0.0388 (14)	0.0467 (15)	0.0542 (17)	−0.0033 (12)	0.0026 (12)	−0.0035 (13)
C25	0.0360 (14)	0.0523 (17)	0.070 (2)	0.0006 (13)	−0.0018 (13)	0.0011 (15)
C26	0.0390 (15)	0.0434 (15)	0.079 (2)	0.0000 (12)	0.0196 (14)	0.0012 (15)
C27	0.0527 (17)	0.0523 (17)	0.0527 (18)	−0.0029 (14)	0.0176 (14)	0.0039 (13)
C28	0.0418 (15)	0.0506 (16)	0.0477 (17)	−0.0024 (12)	0.0049 (12)	0.0060 (13)
C29	0.0456 (16)	0.0614 (18)	0.0474 (18)	0.0039 (13)	−0.0011 (13)	0.0063 (13)
C30	0.0603 (19)	0.078 (2)	0.048 (2)	−0.0065 (17)	−0.0109 (15)	0.0132 (16)
C31	0.083 (2)	0.086 (2)	0.0353 (17)	−0.009 (2)	−0.0024 (16)	0.0006 (16)
C32	0.094 (3)	0.087 (2)	0.0434 (19)	0.019 (2)	0.0076 (17)	−0.0079 (16)
C33	0.0655 (19)	0.067 (2)	0.0441 (18)	0.0195 (16)	−0.0020 (14)	−0.0029 (14)
C34	0.0437 (15)	0.0396 (15)	0.0585 (18)	0.0008 (12)	0.0016 (12)	−0.0046 (12)
C35	0.0484 (16)	0.0516 (17)	0.069 (2)	−0.0060 (14)	0.0081 (14)	−0.0086 (14)
C36	0.067 (2)	0.0477 (17)	0.067 (2)	−0.0162 (15)	0.0113 (16)	−0.0042 (14)
C37	0.075 (2)	0.0356 (15)	0.074 (2)	0.0010 (15)	0.0081 (16)	0.0064 (14)
C38	0.0497 (16)	0.0417 (15)	0.0614 (19)	0.0032 (13)	0.0010 (13)	−0.0003 (13)
Cl1	0.0597 (5)	0.0816 (6)	0.0836 (6)	−0.0050 (4)	−0.0037 (4)	−0.0258 (5)
Cl2	0.0551 (5)	0.1155 (8)	0.0891 (7)	0.0219 (5)	0.0260 (4)	−0.0083 (5)
Cl3	0.0667 (5)	0.0908 (6)	0.0597 (5)	0.0029 (4)	−0.0064 (4)	−0.0201 (4)
Cl4	0.0486 (4)	0.0769 (6)	0.1316 (8)	0.0043 (4)	0.0327 (5)	−0.0163 (5)
Co1	0.03361 (18)	0.03478 (17)	0.0377 (2)	0.00443 (14)	−0.00086 (13)	−0.00057 (14)
N1	0.0366 (11)	0.0490 (12)	0.0357 (12)	0.0095 (10)	0.0031 (9)	0.0034 (10)
N2	0.0348 (11)	0.0379 (11)	0.0398 (12)	0.0047 (9)	0.0065 (9)	0.0036 (9)
N3	0.0358 (11)	0.0360 (11)	0.0470 (13)	0.0036 (9)	0.0059 (9)	−0.0022 (9)
N4	0.0356 (11)	0.0356 (11)	0.0396 (12)	0.0022 (9)	0.0044 (9)	0.0048 (9)
N5	0.0451 (12)	0.0442 (12)	0.0402 (12)	0.0020 (10)	−0.0024 (10)	0.0011 (10)
N6	0.0422 (12)	0.0366 (11)	0.0426 (13)	0.0010 (9)	0.0023 (9)	−0.0036 (9)
O1	0.0576 (14)	0.1012 (18)	0.0439 (13)	0.0299 (13)	−0.0107 (10)	−0.0091 (11)
O2	0.0374 (9)	0.0447 (10)	0.0352 (10)	0.0081 (8)	−0.0016 (7)	−0.0016 (7)
O3	0.0556 (13)	0.0482 (12)	0.0759 (15)	0.0019 (11)	0.0018 (11)	−0.0170 (10)
O4	0.0350 (9)	0.0357 (9)	0.0534 (11)	0.0024 (7)	0.0005 (8)	−0.0052 (8)

Geometric parameters (Å, º) top

C1—C6	1.388 (3)	C22—H22	0.9300
C1—C2	1.407 (3)	C23—C28	1.383 (3)
C1—C7	1.481 (3)	C23—C24	1.401 (3)
C2—O1	1.350 (3)	C24—C25	1.378 (4)
C2—C3	1.388 (4)	C24—Cl3	1.731 (3)
C3—C4	1.368 (4)	C25—C26	1.373 (4)
C3—H3A	0.9300	C25—H25	0.9300
C4—C5	1.379 (4)	C26—C27	1.377 (4)
C4—H4	0.9300	C26—Cl4	1.738 (3)
C5—C6	1.373 (4)	C27—C28	1.384 (4)
C5—H5	0.9300	C27—H27	0.9300
C6—H6	0.9300	C28—H28	0.9300
C7—O2	1.286 (3)	C29—N5	1.337 (3)
C7—N1	1.319 (3)	C29—C30	1.374 (4)
C8—N2	1.281 (3)	C29—H29	0.9300
C8—C9	1.460 (3)	C30—C31	1.361 (4)
C8—H8	0.9300	C30—H30	0.9300
C9—C10	1.391 (4)	C31—C32	1.375 (4)
C9—C14	1.391 (3)	C31—H31	0.9300
C10—C11	1.381 (4)	C32—C33	1.379 (4)
C10—Cl1	1.738 (3)	C32—H32	0.9300
C11—C12	1.370 (4)	C33—N5	1.334 (3)
C11—H11	0.9300	C33—H33	0.9300
C12—C13	1.374 (4)	C34—N6	1.343 (3)
C12—Cl2	1.740 (3)	C34—C35	1.377 (4)
C13—C14	1.386 (4)	C34—H34	0.9300
C13—H13	0.9300	C35—C36	1.360 (4)
C14—H14	0.9300	C35—H35	0.9300
C15—C20	1.393 (3)	C36—C37	1.368 (4)
C15—C16	1.409 (3)	C36—H36	0.9300
C15—C21	1.481 (3)	C37—C38	1.379 (4)
C16—O3	1.351 (3)	C37—H37	0.9300
C16—C17	1.392 (4)	C38—N6	1.336 (3)
C17—C18	1.368 (4)	C38—H38	0.9300
C17—H17	0.9300	Co1—O2	2.0112 (15)
C18—C19	1.384 (4)	Co1—O4	2.0234 (16)
C18—H18	0.9300	Co1—N6	2.174 (2)
C19—C20	1.376 (4)	Co1—N5	2.177 (2)
C19—H19	0.9300	Co1—N4	2.2219 (19)
C20—H20	0.9300	Co1—N2	2.260 (2)
C21—O4	1.280 (3)	N1—N2	1.398 (3)
C21—N3	1.323 (3)	N3—N4	1.400 (3)
C22—N4	1.279 (3)	O1—H1	0.80 (3)
C22—C23	1.462 (3)	O3—H16	0.84 (4)

C6—C1—C2	118.0 (2)	C24—C25—H25	120.7
C6—C1—C7	119.8 (2)	C25—C26—C27	122.1 (3)
C2—C1—C7	122.2 (2)	C25—C26—Cl4	119.1 (2)
O1—C2—C3	118.1 (2)	C27—C26—Cl4	118.8 (2)
O1—C2—C1	122.6 (2)	C26—C27—C28	118.4 (3)
C3—C2—C1	119.3 (3)	C26—C27—H27	120.8
C4—C3—C2	121.0 (3)	C28—C27—H27	120.8
C4—C3—H3A	119.5	C23—C28—C27	121.7 (2)
C2—C3—H3A	119.5	C23—C28—H28	119.2
C3—C4—C5	120.3 (3)	C27—C28—H28	119.2
C3—C4—H4	119.9	N5—C29—C30	123.1 (3)
C5—C4—H4	119.9	N5—C29—H29	118.4
C6—C5—C4	119.2 (3)	C30—C29—H29	118.4
C6—C5—H5	120.4	C31—C30—C29	119.8 (3)
C4—C5—H5	120.4	C31—C30—H30	120.1
C5—C6—C1	122.1 (2)	C29—C30—H30	120.1
C5—C6—H6	119.0	C30—C31—C32	118.0 (3)
C1—C6—H6	119.0	C30—C31—H31	121.0
O2—C7—N1	124.8 (2)	C32—C31—H31	121.0
O2—C7—C1	118.6 (2)	C31—C32—C33	119.1 (3)
N1—C7—C1	116.6 (2)	C31—C32—H32	120.4
N2—C8—C9	124.1 (2)	C33—C32—H32	120.4
N2—C8—H8	118.0	N5—C33—C32	123.3 (3)
C9—C8—H8	118.0	N5—C33—H33	118.3
C10—C9—C14	116.8 (2)	C32—C33—H33	118.3
C10—C9—C8	121.7 (2)	N6—C34—C35	123.1 (2)
C14—C9—C8	121.3 (2)	N6—C34—H34	118.5
C11—C10—C9	122.5 (2)	C35—C34—H34	118.5
C11—C10—Cl1	118.4 (2)	C36—C35—C34	119.1 (3)
C9—C10—Cl1	119.2 (2)	C36—C35—H35	120.4
C12—C11—C10	118.5 (3)	C34—C35—H35	120.4
C12—C11—H11	120.7	C35—C36—C37	119.0 (3)
C10—C11—H11	120.7	C35—C36—H36	120.5
C11—C12—C13	121.5 (3)	C37—C36—H36	120.5
C11—C12—Cl2	118.9 (2)	C36—C37—C38	118.9 (3)
C13—C12—Cl2	119.6 (2)	C36—C37—H37	120.5
C12—C13—C14	118.9 (3)	C38—C37—H37	120.5
C12—C13—H13	120.5	N6—C38—C37	123.2 (3)
C14—C13—H13	120.5	N6—C38—H38	118.4
C13—C14—C9	121.7 (3)	C37—C38—H38	118.4
C13—C14—H14	119.1	O2—Co1—O4	177.51 (6)
C9—C14—H14	119.1	O2—Co1—N6	91.84 (7)
C20—C15—C16	118.0 (2)	O4—Co1—N6	89.31 (7)
C20—C15—C21	119.6 (2)	O2—Co1—N5	89.05 (7)
C16—C15—C21	122.4 (2)	O4—Co1—N5	93.13 (7)
O3—C16—C17	117.6 (2)	N6—Co1—N5	91.11 (8)
O3—C16—C15	122.9 (2)	O2—Co1—N4	102.90 (7)
C17—C16—C15	119.5 (3)	O4—Co1—N4	75.51 (7)
C18—C17—C16	120.9 (3)	N6—Co1—N4	160.80 (8)
C18—C17—H17	119.5	N5—Co1—N4	101.24 (7)
C16—C17—H17	119.5	O2—Co1—N2	75.15 (7)
C17—C18—C19	120.4 (3)	O4—Co1—N2	102.59 (7)
C17—C18—H18	119.8	N6—Co1—N2	93.40 (7)
C19—C18—H18	119.8	N5—Co1—N2	163.68 (7)
C20—C19—C18	119.3 (3)	N4—Co1—N2	78.85 (7)
C20—C19—H19	120.4	C7—N1—N2	113.07 (18)
C18—C19—H19	120.4	C8—N2—N1	113.06 (19)
C19—C20—C15	121.9 (3)	C8—N2—Co1	134.96 (16)
C19—C20—H20	119.1	N1—N2—Co1	108.38 (14)
C15—C20—H20	119.1	C21—N3—N4	112.49 (19)
O4—C21—N3	124.9 (2)	C22—N4—N3	113.4 (2)
O4—C21—C15	119.3 (2)	C22—N4—Co1	133.59 (17)
N3—C21—C15	115.8 (2)	N3—N4—Co1	109.09 (13)
N4—C22—C23	123.1 (2)	C33—N5—C29	116.6 (2)
N4—C22—H22	118.4	C33—N5—Co1	121.49 (17)
C23—C22—H22	118.4	C29—N5—Co1	121.76 (19)
C28—C23—C24	117.8 (2)	C38—N6—C34	116.7 (2)
C28—C23—C22	121.2 (2)	C38—N6—Co1	121.33 (17)
C24—C23—C22	120.9 (2)	C34—N6—Co1	121.91 (17)
C25—C24—C23	121.5 (3)	C2—O1—H1	112 (2)
C25—C24—Cl3	119.1 (2)	C7—O2—Co1	115.55 (15)
C23—C24—Cl3	119.5 (2)	C16—O3—H16	109 (3)
C26—C25—C24	118.6 (2)	C21—O4—Co1	114.42 (14)
C26—C25—H25	120.7

C6—C1—C2—O1	−179.3 (3)	C9—C8—N2—Co1	31.0 (4)
C7—C1—C2—O1	1.2 (4)	C7—N1—N2—C8	−175.9 (2)
C6—C1—C2—C3	1.9 (4)	C7—N1—N2—Co1	−14.0 (2)
C7—C1—C2—C3	−177.6 (2)	O2—Co1—N2—C8	171.0 (2)
O1—C2—C3—C4	178.6 (3)	O4—Co1—N2—C8	−8.0 (2)
C1—C2—C3—C4	−2.6 (4)	N6—Co1—N2—C8	−98.0 (2)
C2—C3—C4—C5	1.4 (5)	N5—Co1—N2—C8	156.2 (3)
C3—C4—C5—C6	0.4 (5)	N4—Co1—N2—C8	64.3 (2)
C4—C5—C6—C1	−1.0 (5)	O2—Co1—N2—N1	14.76 (13)
C2—C1—C6—C5	−0.2 (4)	O4—Co1—N2—N1	−164.18 (13)
C7—C1—C6—C5	179.3 (3)	N6—Co1—N2—N1	105.77 (14)
C6—C1—C7—O2	−5.6 (3)	N5—Co1—N2—N1	0.0 (3)
C2—C1—C7—O2	174.0 (2)	N4—Co1—N2—N1	−91.96 (14)
C6—C1—C7—N1	174.6 (2)	O4—C21—N3—N4	3.0 (3)
C2—C1—C7—N1	−5.9 (3)	C15—C21—N3—N4	−177.76 (19)
N2—C8—C9—C10	−145.2 (3)	C23—C22—N4—N3	−174.2 (2)
N2—C8—C9—C14	39.7 (4)	C23—C22—N4—Co1	31.2 (4)
C14—C9—C10—C11	0.4 (4)	C21—N3—N4—C22	−175.8 (2)
C8—C9—C10—C11	−174.9 (2)	C21—N3—N4—Co1	−15.0 (2)
C14—C9—C10—Cl1	−179.36 (19)	O2—Co1—N4—C22	−6.5 (2)
C8—C9—C10—Cl1	5.3 (3)	O4—Co1—N4—C22	171.5 (2)
C9—C10—C11—C12	0.6 (4)	N6—Co1—N4—C22	132.8 (3)
Cl1—C10—C11—C12	−179.7 (2)	N5—Co1—N4—C22	−98.1 (2)
C10—C11—C12—C13	−0.8 (4)	N2—Co1—N4—C22	65.2 (2)
C10—C11—C12—Cl2	178.0 (2)	O2—Co1—N4—N3	−161.98 (13)
C11—C12—C13—C14	0.2 (4)	O4—Co1—N4—N3	16.06 (13)
Cl2—C12—C13—C14	−178.7 (2)	N6—Co1—N4—N3	−22.7 (3)
C12—C13—C14—C9	0.8 (4)	N5—Co1—N4—N3	106.41 (14)
C10—C9—C14—C13	−1.1 (4)	N2—Co1—N4—N3	−90.23 (14)
C8—C9—C14—C13	174.3 (2)	C32—C33—N5—C29	−0.1 (4)
C20—C15—C16—O3	−177.4 (2)	C32—C33—N5—Co1	175.4 (2)
C21—C15—C16—O3	3.4 (4)	C30—C29—N5—C33	0.7 (4)
C20—C15—C16—C17	2.2 (4)	C30—C29—N5—Co1	−174.9 (2)
C21—C15—C16—C17	−177.0 (2)	O2—Co1—N5—C33	−0.6 (2)
O3—C16—C17—C18	177.3 (3)	O4—Co1—N5—C33	178.2 (2)
C15—C16—C17—C18	−2.4 (4)	N6—Co1—N5—C33	−92.4 (2)
C16—C17—C18—C19	0.9 (5)	N4—Co1—N5—C33	102.4 (2)
C17—C18—C19—C20	0.7 (5)	N2—Co1—N5—C33	13.7 (4)
C18—C19—C20—C15	−0.8 (5)	O2—Co1—N5—C29	174.7 (2)
C16—C15—C20—C19	−0.7 (4)	O4—Co1—N5—C29	−6.5 (2)
C21—C15—C20—C19	178.5 (3)	N6—Co1—N5—C29	82.9 (2)
C20—C15—C21—O4	−5.4 (4)	N4—Co1—N5—C29	−82.3 (2)
C16—C15—C21—O4	173.7 (2)	N2—Co1—N5—C29	−171.0 (2)
C20—C15—C21—N3	175.3 (2)	C37—C38—N6—C34	0.2 (4)
C16—C15—C21—N3	−5.6 (3)	C37—C38—N6—Co1	176.9 (2)
N4—C22—C23—C28	42.1 (4)	C35—C34—N6—C38	−0.1 (4)
N4—C22—C23—C24	−141.6 (3)	C35—C34—N6—Co1	−176.7 (2)
C28—C23—C24—C25	0.9 (4)	O2—Co1—N6—C38	13.6 (2)
C22—C23—C24—C25	−175.5 (2)	O4—Co1—N6—C38	−164.2 (2)
C28—C23—C24—Cl3	−177.86 (19)	N5—Co1—N6—C38	102.7 (2)
C22—C23—C24—Cl3	5.7 (3)	N4—Co1—N6—C38	−126.9 (2)
C23—C24—C25—C26	−0.2 (4)	N2—Co1—N6—C38	−61.6 (2)
Cl3—C24—C25—C26	178.6 (2)	O2—Co1—N6—C34	−169.89 (19)
C24—C25—C26—C27	−0.7 (4)	O4—Co1—N6—C34	12.31 (19)
C24—C25—C26—Cl4	177.9 (2)	N5—Co1—N6—C34	−80.8 (2)
C25—C26—C27—C28	0.8 (4)	N4—Co1—N6—C34	49.6 (3)
Cl4—C26—C27—C28	−177.8 (2)	N2—Co1—N6—C34	114.89 (19)
C24—C23—C28—C27	−0.9 (4)	N1—C7—O2—Co1	11.2 (3)
C22—C23—C28—C27	175.5 (2)	C1—C7—O2—Co1	−168.56 (16)
C26—C27—C28—C23	0.1 (4)	O4—Co1—O2—C7	10.9 (17)
N5—C29—C30—C31	−0.4 (5)	N6—Co1—O2—C7	−106.70 (17)
C29—C30—C31—C32	−0.5 (5)	N5—Co1—O2—C7	162.22 (17)
C30—C31—C32—C33	1.0 (5)	N4—Co1—O2—C7	60.90 (17)
C31—C32—C33—N5	−0.7 (5)	N2—Co1—O2—C7	−13.68 (16)
N6—C34—C35—C36	−0.3 (4)	N3—C21—O4—Co1	12.5 (3)
C34—C35—C36—C37	0.5 (4)	C15—C21—O4—Co1	−166.72 (16)
C35—C36—C37—C38	−0.4 (5)	O2—Co1—O4—C21	35.5 (17)
C36—C37—C38—N6	0.1 (5)	N6—Co1—O4—C21	153.12 (17)
O2—C7—N1—N2	3.4 (3)	N5—Co1—O4—C21	−115.80 (17)
C1—C7—N1—N2	−176.80 (19)	N4—Co1—O4—C21	−14.99 (16)
C9—C8—N2—N1	−173.6 (2)	N2—Co1—O4—C21	59.80 (17)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···N1	0.80 (3)	1.87 (3)	2.566 (3)	144 (3)
O3—H16···N3	0.84 (4)	1.83 (4)	2.564 (3)	146 (3)

Footnotes

¹.

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addenda and errata\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)