Crystallography Open Database

Information card for entry 7035673

Preview

Coordinates	7035673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H5 B11 F10 N O0.5
Calculated formula	C H5 B11 F10 N O0.5
SMILES	F[B]1234[CH]567[B]893(F)[B]3%10%11(F)[B]%12%13%14(F)[B]183(F)[B]12%12(F)[B]245(F)[B]3%141(F)[B]1%10%13(F)[B]623(F)[B]79%111[NH3].O
Title of publication	Polyfluorinated carba-closo-dodecaboranes with amino and ammonio substituents bonded to boron.
Authors of publication	Konieczka, Szymon Z.; Drisch, Michael; Edkins, Katharina; Hailmann, Michael; Finze, Maik
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	45
Pages of publication	19576 - 19586
a	14.684 ± 0.004 Å
b	22.575 ± 0.007 Å
c	14.269 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4730 ± 2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	37
Hermann-Mauguin space group symbol	C c c 2
Hall space group symbol	C 2 -2c
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.0613
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171165 (current)	2015-12-09	cif/ Updating files of 7035673, 7035674, 7035675, 7035676, 7035677 Original log message: Adding full bibliography for 7035673--7035677.cif.	7035673.cif
141009	2015-07-08	cif/ Adding structures of 7035673, 7035674, 7035675, 7035676, 7035677 via cif-deposit CGI script.	7035673.cif