Crystallography Open Database

Information card for entry 7102327

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Structure parameters

Formula	C64 H96 Br4 N24 O4 Zn8
Calculated formula	C64 H96 Br4 N24 O4 Zn8
Title of publication	Unique formation of two high-nuclearity metallamacrocycles from a mononuclear complex [Zn(dmpzdtc)2] (dmpzdtc=3,5-dimethylpyrazole-1-dithiocarboxylate) via CS2 elimination.
Authors of publication	Li, Hong-Xi; Wu, Hua-Zhou; Zhang, Wen-Hua; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2007
Journal issue	47
Pages of publication	5052 - 5054
a	10.577 ± 0.002 Å
b	14.267 ± 0.003 Å
c	16.194 ± 0.003 Å
α	64.53 ± 0.03°
β	81.38 ± 0.03°
γ	68.43 ± 0.03°
Cell volume	2051.6 ± 1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1215
Residual factor for significantly intense reflections	0.083
Weighted residual factors for significantly intense reflections	0.1828
Weighted residual factors for all reflections included in the refinement	0.2042
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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