Crystallography Open Database

Information card for entry 4320914

4320913 << 4320914 >> 4320915

Preview

Coordinates	4320914.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis-O-(N-boranato-N,N-dimethylhydroxylammonium)silane
Formula	C5 H22 B2 N2 O2 Si
Calculated formula	C5 H22 B2 N2 O2 Si
SMILES	[SiH](C)(O[N](C)(C)[BH3])O[N](C)(C)[BH3]
Title of publication	SiONB Unit as Reference for Blocked Si...N Interactions in SiON Compounds
Authors of publication	Norbert W. Mitzel; Udo Losehand; Bernhard Bauer
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	1998 - 2000
a	9.478 ± 0.003 Å
b	10.919 ± 0.003 Å
c	11.914 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1233 ± 0.7 Å³
Cell temperature	148 ± 2 K
Ambient diffraction temperature	148 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for all reflections	0.105
Weighted residual factors for significantly intense reflections	0.0982
Goodness-of-fit parameter for all reflections	1.06
Goodness-of-fit parameter for significantly intense reflections	1.054
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
179312 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/09.	4320914.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4320914.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320914.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320914.cif
18236	2011-04-28	../uploads/cif-deposit/cod/cif Adding structures of 4320914 via cif-deposit CGI script.	4320914.cif