Crystallography Open Database

Information card for entry 7114663

Preview

Coordinates	7114663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H84 O2 P4 Si6
Calculated formula	C36 H84 O2 P4 Si6
SMILES	C(C)(C)[Si]1(P2[Si](P(P3P([Si](O[Si]3(C(C)C)C(C)C)(C(C)C)C(C)C)[Si]2(C(C)C)C(C)C)[Si](C(C)C)(O1)C(C)C)(C(C)C)C(C)C)C(C)C
Title of publication	Stepwise synthesis of a stable diphosphasilirane and its unexpected dimerization
Authors of publication	Kirsten Reuter; Carsten von Hanisch
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	7709
a	13.6209 ± 0.001 Å
b	25.4353 ± 0.0012 Å
c	14.457 ± 0.001 Å
α	90°
β	101.199 ± 0.005°
γ	90°
Cell volume	4913.3 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0767
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	0.604
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
180260 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/46.	7114663.cif
117966	2014-06-23	cif/ Adding structures of 7114661, 7114662, 7114663 via cif-deposit CGI script.	7114663.cif