Crystallography Open Database

Information card for entry 7222054

7222053 << 7222054 >> 7222055

Preview

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

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222054.cif
171087	2015-12-09	cif/ Updating files of 7222053, 7222054 Original log message: Adding full bibliography for 7222053--7222054.cif.	7222054.cif
155484	2015-09-09	cif/ Adding structures of 7222053, 7222054 via cif-deposit CGI script.	7222054.cif