Crystallography Open Database

Information card for entry 7222054

7222053 << 7222054 >> 7222055

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Coordinates	7222054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H54 N12 O12 Zn3
Calculated formula	C84 H54 N12 O12 Zn3
Title of publication	Coexistence of a pair of enantiomorphic forms of chiral quartz nets with an interpenetrating mode in a centrosymmetric coordination polymer
Authors of publication	Wang, Yu-Ling; Chen, Lin; Liu, Qing-Yan; Du, Zi-Yi; Yao, Yang
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	40
Pages of publication	7628
a	36.07 ± 0.002 Å
b	21.17 ± 0.0012 Å
c	17.8547 ± 0.0011 Å
α	90°
β	91.22 ± 0.004°
γ	90°
Cell volume	13630.8 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1215
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.2087
Weighted residual factors for all reflections included in the refinement	0.2226
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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