Crystallography Open Database

Information card for entry 7216894

Preview

Coordinates	7216894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.78 H24.99 Cl1.1 N2 O P S
Calculated formula	C26.796 H25.007 Cl1.102 N2 O P S
Title of publication	The synthesis and structural characterisation of some azo-containing phosphine chalcogenides and comparison to non-phosphorus-containing analogues
Authors of publication	Alder, Mark J.; Bates, Vanessa M.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G.
Journal of publication	Journal of the Chemical Society, Perkin Transactions 1
Year of publication	2001
Journal issue	20
Pages of publication	2669
a	8.8661 ± 0.0012 Å
b	10.557 ± 0.0018 Å
c	14.267 ± 0.003 Å
α	110.513 ± 0.016°
β	94.713 ± 0.013°
γ	91.063 ± 0.012°
Cell volume	1244.9 ± 0.4 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1813
Weighted residual factors for all reflections included in the refinement	0.1918
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216894.cif
118547	2014-06-30	cif/ Adding structures of 7216894, 7216895, 7216896, 7216897 via cif-deposit CGI script.	7216894.cif