Crystallography Open Database

Information card for entry 8000122

Preview

Coordinates	8000122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 Cu I N2 O4 S
Calculated formula	C16 H16 Cu I N2 O4 S
Title of publication	Synthesis, Crystal Structure, and Optical Limiting Effect of a Cu(I) Coordination Polymeric Cluster Bridged by Chiral-carbon Skeleton Bipyridyl Ligand
Authors of publication	Niu, Yunyin; Song, Yinglin; Wang, Qingli; Guo, Xiaoling; Zhu, Yu; Hou, Hongwei
Journal of publication	Chemistry Letters
Year of publication	2006
Journal volume	35
Journal issue	6
Pages of publication	650
a	19.122 ± 0.002 Å
b	18.499 ± 0.002 Å
c	7.2538 ± 0.0008 Å
α	90°
β	91.424 ± 0.002°
γ	90°
Cell volume	2565.2 ± 0.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1479
Weighted residual factors for all reflections included in the refinement	0.1605
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000122.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000122.cif
94270	2014-01-22	cif/ Adding structures of 8000122 via cif-deposit CGI script.	8000122.cif