Crystallography Open Database

Information card for entry 1519295

1519294 << 1519295 >> 1519296

Preview

Coordinates	1519295.cif

Structure parameters

Formula	C16 H34 Cl4 N10 O4 P6
Calculated formula	C16 H34 Cl4 N10 O4 P6
Title of publication	meso-(R,S)-1,4-bis(15,15-Dichloro-1,5-dioxa-7,9,13,14,16-pentaaza-6,8,15- triphosphadispiro(5.1.5.3)hexadeca-6(16),7,14-trien-9-yl)butane
Authors of publication	Yesilot, S.; Ciftci, G. Y.; Shaw, R. A.; Kilic, A.; Hursthouse, Michael B.; Eaton, R. J.; Davies, David B.; Coles, Simon J.; Besli, S.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	60
a	12.56 ± 0.0008 Å
b	9.1084 ± 0.0008 Å
c	14.2275 ± 0.0011 Å
α	90°
β	102.86 ± 0.005°
γ	90°
Cell volume	1586.8 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.1633
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1539
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
176729 (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 1.	1519295.cif
135645	2015-05-06	cif/ Adding structures of 1519295 via cif-deposit CGI script.	1519295.cif