Crystallography Open Database

Information card for entry 8106329

Preview

Coordinates	8106329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H24 Bi2 O5
Calculated formula	C29 H24 Bi2 O5
SMILES	[Bi]12([O](Cc3c1cccc3)Cc1c2cccc1)OC(=O)O[Bi]12[O](Cc3c1cccc3)Cc1c2cccc1
Title of publication	Crystal structure of bis{5H-dibenzo[c,f][1,5]oxabismocin-12(7H)-yl} carbonate, C29H24O5Bi2
Authors of publication	Tan, Nianyuan; Dang, Limin; Lan, Donghui; Wu, Shuisheng; Au, Chak-Tong; Yi, Bing
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	5
Pages of publication	875 - 877
a	14.8835 ± 0.0006 Å
b	14.5551 ± 0.0006 Å
c	23.6 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5112.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0579
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
279721 (current)	2022-12-06	cif/ Adding structures of 8106329 via cif-deposit CGI script.	8106329.cif