Crystallography Open Database

Information card for entry 7221133

Preview

Coordinates	7221133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H152 Cd7 I12 N22 O8
Calculated formula	C90 H150 Cd7 I12 N22 O8
Title of publication	Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions
Authors of publication	Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	30
Pages of publication	5832
a	17.6212 ± 0.0004 Å
b	17.6212 ± 0.0004 Å
c	71.599 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	19253.4 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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.	7221133.cif
153104	2015-08-08	cif/ Updating files of 7221133, 7221134, 7221135, 7221136, 7221137, 7221138, 7221139, 7221140 Original log message: Adding full bibliography for 7221133--7221140.cif.	7221133.cif
141462	2015-07-09	cif/ Adding structures of 7221133, 7221134, 7221135, 7221136, 7221137, 7221138, 7221139, 7221140 via cif-deposit CGI script.	7221133.cif