Crystallography Open Database

Information card for entry 7204083

7204082 << 7204083 >> 7204084

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Coordinates	7204083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H35 B N2 O2
Calculated formula	C35 H35 B N2 O2
Title of publication	The complexation of tetraphenylborate with organic N-heteroaromatic cations
Authors of publication	Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni
Journal of publication	Journal of the Chemical Society, Perkin Transactions 2
Year of publication	2001
Journal issue	12
Pages of publication	2364
a	11.228 ± 0.0006 Å
b	16.22 ± 0.001 Å
c	16.2719 ± 0.0007 Å
α	90°
β	98.991 ± 0.003°
γ	90°
Cell volume	2927 ± 0.3 Å³
Cell temperature	173 ± 0.2 K
Ambient diffraction temperature	173 ± 0.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1344
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.2035
Weighted residual factors for all reflections included in the refinement	0.2342
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7204083.cif
180371	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/40.	7204083.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7204083.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204083.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204083.cif