Crystallography Open Database

Information card for entry 2206966

2206965 << 2206966 >> 2206967

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Coordinates	2206966.cif
Structure factors	2206966.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	bis(μ-diethyl 5,6,7,8,15,16-hexahydro-6,7-dioxo-5,8,14,17- tetraazadibenzo[a,g]cyclotetradecine-13,18- dicarboxylate)-1κ^4^N:2κ^2^O^6^,O^7^;2κO^6^,O^7^:3κ^4^N- dimethanoldinickel(II)zinc(II) bis(perchlorate)
Formula	C50 H52 Cl2 N8 Ni2 O22 Zn
Calculated formula	C50 H52 Cl2 N8 Ni2 O22 Zn
Title of publication	A new heterotrinuclear macrocyclic complex: bis(μ-diethyl 5,6,7,8,15,16-hexahydro-6,7-dioxo-5,8,14,17-tetraazadibenzo[<i>a</i>,<i>g</i>]cyclotetradecine-13,18-dicarboxylato)-1κ^4^<i>N</i>:2κ^2^<i>O</i>^6^,<i>O</i>^7^;2κ<i>O</i>^6^,<i>O</i>^7^:3κ^4^<i>N</i>-dimethanoldinickel(II)zinc(II) bis(perchlorate)
Authors of publication	Li, Xiao-Zeng; He, Jun-Hong; Zhang, Wen-Qin; Liu, Bao-Lin
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	10
Pages of publication	m2018 - m2020
a	10.4582 ± 0.0016 Å
b	12.8031 ± 0.0019 Å
c	21.161 ± 0.003 Å
α	90°
β	99.308 ± 0.002°
γ	90°
Cell volume	2796.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

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