Crystallography Open Database

Information card for entry 1520257

1520256 << 1520257 >> 1520258

Preview

Coordinates	1520257.cif

Structure parameters

Formula	C7 H20 B5 N O11
Calculated formula	C7 H20 B5 N O11
Title of publication	C7H20B5NO11
Authors of publication	Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	428
a	14.7118 ± 0.0003 Å
b	11.4599 ± 0.0003 Å
c	9.8194 ± 0.0003 Å
α	90°
β	103.911 ± 0.002°
γ	90°
Cell volume	1606.95 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1566
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520257.cif
137883	2015-06-04	cif/ Adding structures of 1520257 via cif-deposit CGI script.	1520257.cif