Crystallography Open Database

Information card for entry 7212974

Preview

Coordinates	7212974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H15 B3 N6
Calculated formula	C3 H15 B3 N6
SMILES	B1(N(C)B(N(B(N1C)N)C)N)N
Title of publication	Conversion of B(NHCH3)3 into boron nitride and polyborazine fibres and tubular BN structures derived therefrom
Authors of publication	Cornu, David; Miele, Philippe; Faure, René; Bonnetot, Bernard; Mongeot, Henri; Bouix, Jean
Journal of publication	Journal of Materials Chemistry
Year of publication	1999
Journal volume	9
Journal issue	3
Pages of publication	757
a	7.992 ± 0.002 Å
b	9.275 ± 0.001 Å
c	12.987 ± 0.003 Å
α	90°
β	106.356 ± 0.005°
γ	90°
Cell volume	923.7 ± 0.3 Å³
Cell temperature	295 K
Number of distinct elements	4
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	0.042
Weighted residual factors for significantly intense reflections	0.043
Goodness-of-fit parameter for significantly intense reflections	1.211
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
206958 (current)	2018-03-15	Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1	7212974.cif
180460	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/29.	7212974.cif
95064	2014-01-28	cif/ Adding structures of 7212974 via cif-deposit CGI script.	7212974.cif