Crystallography Open Database

Information card for entry 7025336

Preview

Coordinates	7025336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H20 B5 N O11
Calculated formula	C7 H20 B5 N O11
Title of publication	Structural (XRD) and thermal (DSC, TGA) and BET analysis of materials derived from non-metal cation pentaborate salts.
Authors of publication	Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.; Knox, David A.; Timmis, James L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	16
Pages of publication	3944 - 3951
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
179959 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/53.	7025336.cif
92943	2014-01-12	cif/ Adding structures of 7025331, 7025332, 7025333, 7025334, 7025335, 7025336, 7025337, 7025338, 7025339 via cif-deposit CGI script.	7025336.cif