Crystallography Open Database

Information card for entry 1519129

1519128 << 1519129 >> 1519130

Preview

Coordinates	1519129.cif

Structure parameters

Formula	C22 H44 Si4 Zr
Calculated formula	C22 H42 Si4 Zr
SMILES	[Zr]12345678([c]9([Si](C)(C)C)[cH]1[cH]2[c]3([Si](C)(C)C)[cH]49)[c]1([cH]5[c]6([cH]7[cH]81)[Si](C)(C)C)[Si](C)(C)C
Title of publication	C22H44Si4Zr
Authors of publication	Bochmann, Manfred; Mazid, Muhammed A.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1993
Pages of publication	1187
a	12.075 ± 0.006 Å
b	15.42 ± 0.002 Å
c	15.571 ± 0.004 Å
α	90°
β	99.36 ± 0.02°
γ	90°
Cell volume	2860.7 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1298
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for all reflections	0.1967
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections	0.487
Goodness-of-fit parameter for all reflections included in the refinement	0.53
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
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.	1519129.cif
135432	2015-04-30	cif/ Adding structures of 1519129 via cif-deposit CGI script.	1519129.cif