Crystallography Open Database

Information card for entry 7128478

Preview

Coordinates	7128478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Ba2 N2 O15
Calculated formula	C12 H14 Ba2 N2 O15
Title of publication	Combining polarized low-frequency Raman with XRD to identify directional structural motifs in a pyrolysis precursor.
Authors of publication	Ben Uliel, Tal; Farber, Eliyahu M.; Aviv, Hagit; Stroek, Wowa; Farbinteanu, Marilena; Tischler, Yaakov R.; Eisenberg, David
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	57
Pages of publication	7015 - 7018
a	25.8464 ± 0.0008 Å
b	5.1215 ± 0.0001 Å
c	20.1569 ± 0.0014 Å
α	90°
β	126.721 ± 0.009°
γ	90°
Cell volume	2138.7 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0195
Residual factor for significantly intense reflections	0.0173
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.232
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268543 (current)	2021-09-06	cif/ Updating files of 7128478, 7128479, 7128480 Original log message: Adding full bibliography for 7128478--7128480.cif.	7128478.cif
266333	2021-06-10	cif/ Adding structures of 7128478, 7128479, 7128480 via cif-deposit CGI script.	7128478.cif