Crystallography Open Database

Information card for entry 4115751

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Structure parameters

Formula	C23 H21 Bi Cl3 N O4
Calculated formula	C23 H21 Bi Cl3 N O4
SMILES	[Bi](=NC(=O)C(Cl)(Cl)Cl)(c1c(OC)cccc1)(c1c(OC)cccc1)c1c(OC)cccc1
Title of publication	Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series
Authors of publication	Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	10954 - 10965
a	8.776 ± 0.002 Å
b	17.577 ± 0.004 Å
c	15.875 ± 0.004 Å
α	90°
β	96.1 ± 0.02°
γ	90°
Cell volume	2434.9 ± 1 Å³
Cell temperature	143.2 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	0.0251
Weighted residual factors for all reflections included in the refinement	0.0342
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4115751.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115751.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115751.cif
69475	2012-12-18	cif/ Adding structures of 4115751 via cif-deposit CGI script.	4115751.cif