Crystallography Open Database

Information card for entry 7057223

Preview

Coordinates	7057223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H7 B7 Cl I P2
Calculated formula	C2 H7 B7 Cl I P2
Title of publication	Various types of non-covalent interactions contributing towards crystal packing of halogenated diphospha-dicarbaborane with an open pentagonal belt
Authors of publication	Holub, Josef; Růžičková, Zdeňka; Hobza, Pavel; Fanfrlík, Jindřich; Hnyk, Drahomír; Růžička, Aleš
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	13
Pages of publication	10481
a	11.9909 ± 0.0006 Å
b	7.4346 ± 0.0004 Å
c	13.3364 ± 0.0007 Å
α	90°
β	115.746 ± 0.001°
γ	90°
Cell volume	1070.88 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0192
Residual factor for significantly intense reflections	0.0189
Weighted residual factors for significantly intense reflections	0.0551
Weighted residual factors for all reflections included in the refinement	0.0553
Goodness-of-fit parameter for all reflections included in the refinement	1.379
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
230386 (current)	2019-11-17	cif/ Updating files of 7057223 Original log message: Adding full bibliography for 7057223.cif.	7057223.cif
207186	2018-03-30	cif/ Adding structures of 7057223 via cif-deposit CGI script.	7057223.cif