Crystallography Open Database

Information card for entry 7009016

Preview

Coordinates	7009016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H20 Cd2 N6 O10 S3
Calculated formula	C11 H20 Cd2 N6 O10 S3
Title of publication	Thermodynamically controlled products: novel motif of metallohelicates stabilized by inter- and intra-helix hydrogen bonds
Authors of publication	Zhang, Yugen; Jianmin, Li; Nishiura, Masayoshi; Hou, Hongyi; Deng, Wei; Imamoto, Tsuneo
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	3
Pages of publication	293
a	8.238 ± 0.006 Å
b	8.134 ± 0.006 Å
c	34.57 ± 0.05 Å
α	90°
β	92.51 ± 0.05°
γ	90°
Cell volume	2314 ± 4 Å³
Cell temperature	173.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.892
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7009016.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009016.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009016.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009016.cif