Crystallography Open Database

Information card for entry 7037391

Preview

Coordinates	7037391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H20 Bi Cl3 O5
Calculated formula	C10 H20 Bi Cl3 O5
SMILES	C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]1[Bi]2345(Cl)(Cl)Cl
Title of publication	Phase transition metal-crown ether coordination compounds tuned by metal ions.
Authors of publication	Ye, Qiong; Wang, Hui-Ting; Zhou, Lin; Kong, Li-Hui; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	3
Pages of publication	1000 - 1006
a	16.212 ± 0.011 Å
b	7.772 ± 0.005 Å
c	13.389 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	1687 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1686
Weighted residual factors for all reflections included in the refinement	0.1926
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176045 (current)	2016-02-05	cif/ Updating files of 7037390, 7037391, 7037392, 7037393, 7037394, 7037395 Original log message: Adding full bibliography for 7037390--7037395.cif.	7037391.cif
170495	2015-11-24	cif/ Adding structures of 7037390, 7037391, 7037392, 7037393, 7037394, 7037395 via cif-deposit CGI script.	7037391.cif