Crystallography Open Database

Information card for entry 8101952

8101951 << 8101952 >> 8101953

Preview

Coordinates	8101952.cif

Structure parameters

Chemical name	dimethylammonium bis(salicylato)borate
Formula	C16 H16 B N O6
Calculated formula	C16 H16 B N O6
Title of publication	Crystal structure of dimethylammonium bis(salicylato)borate, [NH~2~ (CH~3~)~2~][BO~4~(C~7~H~4~O)~2~]
Authors of publication	Li, P.; Liu, Z.-H.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2006
Journal volume	221
Journal issue	2
Pages of publication	179 - 180
a	8.544 ± 0.007 Å
b	19.679 ± 0.016 Å
c	9.117 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1533 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.1095
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8101952.cif
107948	2014-03-25	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8101952.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101952.cif
12691	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8101952 via cif-deposit CGI script.	8101952.cif