Crystallography Open Database

Information card for entry 1549259

Preview

Coordinates	1549259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H6 F36 O7 Pb4
Calculated formula	C18 H6 F36 O7 Pb4
SMILES	[Pb]1234[O](C(C(F)(F)F)C(F)(F)F)[Pb]5([O](C(C(F)(F)F)C(F)(F)F)[Pb]6([O]([Pb]([O]2C(C(F)(F)F)C(F)(F)F)[O]456)C(C(F)(F)F)C(F)(F)F)[O]3C(C(F)(F)F)C(F)(F)F)[O]1C(C(F)(F)F)C(F)(F)F
Title of publication	Stable lead(ii) boroxides.
Authors of publication	Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	42
Pages of publication	5299 - 5302
a	18.87 ± 0.0008 Å
b	10.1801 ± 0.0004 Å
c	19.4987 ± 0.0007 Å
α	90°
β	90.176 ± 0.002°
γ	90°
Cell volume	3745.7 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation probe	x-ray
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
228159 (current)	2019-11-17	cif/ Updating files of 1549257, 1549258, 1549259, 1549260, 1549261 Original log message: Adding full bibliography for 1549257--1549261.cif.	1549259.cif
207396	2018-04-19	cif/ Adding structures of 1549257, 1549258, 1549259, 1549260, 1549261 via cif-deposit CGI script.	1549259.cif